| 1 | #!/bin/sh |
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| 2 | # the next line restarts this script using wish found in the path\ |
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| 3 | exec wish "$0" "$@" |
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| 4 | # If this does not work, change the #!/usr/bin/wish line below |
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| 5 | # to reflect the actual wish location and delete all preceeding lines |
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| 6 | # |
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| 7 | # (delete here and above) |
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| 8 | #!/usr/bin/wish |
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| 9 | # $Id: expgui 809 2009-12-04 23:12:25Z toby $ |
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| 10 | set expgui(Revision) {$Revision: 809 $ $Date: 2009-12-04 23:12:25 +0000 (Fri, 04 Dec 2009) $} |
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| 11 | |
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| 12 | package require Tk |
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| 13 | |
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| 14 | # to do: |
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| 15 | # |
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| 16 | # need to change heading and button label depending on where getExpFileName |
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| 17 | # is called from? |
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| 18 | # |
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| 19 | # global background editing & profile work differently: should both |
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| 20 | # start out blank with a "load from option"? |
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| 21 | # |
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| 22 | # idea: |
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| 23 | # a scroll list for all histogram refinement flags ; click on takes you to the |
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| 24 | # appropriate menu. |
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| 25 | # |
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| 26 | # idea: |
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| 27 | # change cell parameters to labels and have a edit cell button |
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| 28 | # that enforces metric symmetry |
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| 29 | # |
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| 30 | # to allow "global" access on phase page |
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| 31 | # change buttons from radio to multiple |
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| 32 | # -- or display all 9 cell flag/damps and all atoms |
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| 33 | # make editMultipleRecords work with multiple phases, also cell flag/damp |
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| 34 | # blank cell entries |
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| 35 | # add phase to atom number in listing |
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| 36 | # DisplayAllAtoms needs to loop over phases |
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| 37 | # |
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| 38 | # idea: load more than one bank from a multi-bank .RAW file |
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| 39 | # |
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| 40 | if {$tcl_version < 8.0} { |
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| 41 | tk_dialog .expFileErrorMsg "Version Error" \ |
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| 42 | "EXPGUI requires Tcl/Tk version 8.0 or higher" error 0 "Exit" |
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| 43 | exit |
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| 44 | } |
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| 45 | |
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| 46 | # the shell variable tells expgui to act as a shell for GSAS |
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| 47 | # as well as edit the EXP file. In no-shell mode, it can |
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| 48 | # only be used to edit the .EXP file as a callable program |
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| 49 | set expgui(shell) 1 |
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| 50 | catch {if $env(EXPGUI_NOSHELL) {set expgui(shell) 0}} |
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| 51 | |
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| 52 | if {$argv != ""} { |
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| 53 | if {[string match *noshell* [string tolower $argv]]} { |
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| 54 | #puts noshell |
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| 55 | set expgui(shell) 0 |
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| 56 | set expgui(expfile) [lindex $argv 1] |
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| 57 | } else { |
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| 58 | set expgui(expfile) [lindex $argv 0] |
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| 59 | } |
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| 60 | if {[string match -nocase {.o[0-9a-f][0-9a-f]} \ |
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| 61 | [file extension $expgui(expfile)]]} { |
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| 62 | # this is an archived file -- need to handle this later |
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| 63 | tk_dialog .expFileErrorMsg "No archived files yet" \ |
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| 64 | "At present you must use open (expnam) to open archived files" warning 0 "Continue" |
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| 65 | set expgui(expfile) {} |
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| 66 | } elseif {[string toupper [file extension $expgui(expfile)]] != ".EXP"} { |
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| 67 | append expgui(expfile) ".EXP" |
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| 68 | } |
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| 69 | } else { |
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| 70 | set expgui(expfile) {} |
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| 71 | } |
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| 72 | |
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| 73 | set expgui(curhist) {} |
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| 74 | set expmap(powderlist) {} |
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| 75 | set expgui(bkgcolor1) #fdf |
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| 76 | |
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| 77 | set expgui(debug) 0 |
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| 78 | catch {if $env(DEBUG) {set expgui(debug) 1}} |
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| 79 | #set expgui(debug) 1 |
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| 80 | |
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| 81 | # location for web pages, if not found locally |
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| 82 | set expgui(website) www.ncnr.nist.gov/xtal/software/expgui |
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| 83 | # default for archive mode = on |
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| 84 | set expgui(archive) 1 |
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| 85 | # default for autoexec load = off |
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| 86 | set expgui(autoexpload) 0 |
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| 87 | # default for autostart GRWND = off |
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| 88 | set expgui(autoGRWND) 0 |
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| 89 | # by default expgui is iconified while GENLES, etc runs |
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| 90 | set expgui(autoiconify) 1 |
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| 91 | # default for show EXPTOOL output = off |
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| 92 | set expgui(showexptool) 0 |
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| 93 | # save the name of the wish executable |
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| 94 | set wishshell [info nameofexecutable] |
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| 95 | # misc constants |
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| 96 | set txtvw(font) "Courier" |
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| 97 | set expgui(font) 14 |
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| 98 | set liveplot(hst) 1 |
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| 99 | set liveplot(legend) 1 |
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| 100 | set expgui(filesort) 1 |
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| 101 | set expgui(initstring) {} |
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| 102 | # use a separate window for DISAGL (default) |
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| 103 | set expgui(disaglSeparateBox) 1 |
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| 104 | set expgui(DefaultPeakType) 0 |
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| 105 | # default: keep current atoms when replacing a phase |
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| 106 | set expgui(DeleteAllAtoms) 0 |
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| 107 | # flags for running POWPREF |
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| 108 | set expgui(needpowpref) 0 |
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| 109 | set expgui(needpowpref_why) "" |
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| 110 | # on Mac associate a app with .EXP file (on by default) |
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| 111 | set expgui(MacAssignApp) 1 |
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| 112 | #============================================================================= |
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| 113 | #---------------------------------------------------------------- |
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| 114 | # where are we? |
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| 115 | set expgui(script) [info script] |
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| 116 | # translate links -- go six levels deep |
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| 117 | foreach i {1 2 3 4 5 6} { |
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| 118 | if {[file type $expgui(script)] == "link"} { |
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| 119 | set link [file readlink $expgui(script)] |
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| 120 | if { [file pathtype $link] == "absolute" } { |
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| 121 | set expgui(script) $link |
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| 122 | } { |
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| 123 | set expgui(script) [file dirname $expgui(script)]/$link |
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| 124 | } |
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| 125 | } else { |
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| 126 | break |
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| 127 | } |
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| 128 | } |
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| 129 | # fixup relative paths |
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| 130 | if {[file pathtype $expgui(script)] == "relative"} { |
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| 131 | set expgui(script) [file join [pwd] $expgui(script)] |
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| 132 | } |
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| 133 | set expgui(scriptdir) [file dirname $expgui(script) ] |
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| 134 | set expgui(gsasdir) [file dirname $expgui(scriptdir)] |
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| 135 | set expgui(gsasexe) [file join $expgui(gsasdir) exe] |
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| 136 | set expgui(docdir) [file join $expgui(scriptdir) doc] |
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| 137 | #---------------------------------------------------------------- |
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| 138 | lappend auto_path $expgui(scriptdir) |
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| 139 | set expgui(havetix) 0 |
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| 140 | set expgui(haveBW) 1 |
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| 141 | # for debugging non-BWidget version set environment variable NOBWIDGET |
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| 142 | catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}} |
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| 143 | if $expgui(haveBW) { |
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| 144 | if [catch {package require BWidget}] {set expgui(haveBW) 0} |
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| 145 | } |
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| 146 | # get the notebook widget if not using BWidgets |
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| 147 | if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]} |
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| 148 | #---------------------------------------------------------------- |
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| 149 | source [file join $expgui(scriptdir) opts.tcl] |
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| 150 | # fetch EXP file processing routines |
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| 151 | source [file join $expgui(scriptdir) readexp.tcl] |
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| 152 | # commands for running GSAS programs |
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| 153 | source [file join $expgui(scriptdir) gsascmds.tcl] |
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| 154 | # contents of GSAS menus |
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| 155 | source [file join $expgui(scriptdir) gsasmenu.tcl] |
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| 156 | # commands for adding phases, histograms & atoms |
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| 157 | source [file join $expgui(scriptdir) addcmds.tcl] |
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| 158 | # commands for preferred orientation |
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| 159 | source [file join $expgui(scriptdir) orient.tcl] |
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| 160 | # setting data range/excluded regions |
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| 161 | source [file join $expgui(scriptdir) exclinit.tcl] |
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| 162 | #--------------------------------------------------------------------------- |
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| 163 | # override options with locally defined values |
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| 164 | set filelist [file join $expgui(scriptdir) localconfig] |
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| 165 | if {$tcl_platform(platform) == "windows"} { |
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| 166 | lappend filelist "c:/gsas.config" |
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| 167 | } else { |
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| 168 | lappend filelist [file join ~ .gsas_config] |
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| 169 | } |
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| 170 | if {[catch { |
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| 171 | foreach file $filelist { |
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| 172 | if [file exists $file] {source $file} |
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| 173 | } |
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| 174 | } errmsg]} { |
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| 175 | set msg "Error reading file $file (aka [file nativename $file]): $errmsg" |
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| 176 | MyMessageBox -parent . -title "Customize warning" \ |
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| 177 | -message $msg -icon warning -type Ignore -default ignore \ |
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| 178 | -helplink "expguierr.html Customizewarning" |
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| 179 | } |
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| 180 | SetTkDefaultOptions $expgui(font) |
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| 181 | #--------------------------------------------------------------------------- |
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| 182 | # platform-specific code |
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| 183 | if {$tcl_platform(platform) == "windows" \ |
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| 184 | && $tcl_platform(os) == "Windows 95"} { |
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| 185 | if {[catch {package require winexec}] && \ |
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| 186 | [catch {package require winutils}]} { |
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| 187 | MyMessageBox -parent . -title "WINEXEC Error" \ |
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| 188 | -message "Error -- Unable to load the WINEXEC or the WINUTILS package. This is needed in Win-95/-98/-me machines" \ |
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| 189 | -icon error -type Quit -default quit \ |
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| 190 | -helplink "expgui_Win_readme.html Winexec" |
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| 191 | destroy . |
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| 192 | } |
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| 193 | } |
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| 194 | if {$tcl_platform(platform) == "windows"} { |
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| 195 | # check the path -- can DOS use it? |
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| 196 | if {[string first {\\} $expgui(script) ] != -1} { |
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| 197 | MyMessageBox -parent . -title "Networked Path" \ |
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| 198 | -message "Note -- You may have problems running EXPGUI/GSAS from a network drive. If you have errors, map $expgui(gsasdir) to a \"drive\" (like F:). (Use \"Map network drive\" to do this.)" \ |
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| 199 | -icon error -type {"Be brave"} -default "be brave" \ |
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| 200 | -helplink "expgui_Win_readme.html NetPath" |
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| 201 | } |
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| 202 | # |
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| 203 | set expgui(exptool) [file join $expgui(gsasexe) exptool.exe] |
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| 204 | } else { |
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| 205 | set expgui(exptool) [file join $expgui(gsasexe) exptool] |
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| 206 | if {$tcl_platform(os) != "Darwin"} { |
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| 207 | if [catch {set env(GSASBACKSPACE)}] {set env(GSASBACKSPACE) 1} |
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| 208 | } |
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| 209 | } |
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| 210 | # do we have a PGPLOT fonts file? |
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| 211 | # if it is in the "wrong" place/name -- make it "right" |
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| 212 | if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \ |
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| 213 | [file exists [file join $expgui(gsasdir) fonts grfont.dat]]} { |
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| 214 | catch {file mkdir [file join $expgui(gsasdir) pgl]} |
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| 215 | file copy [file join $expgui(gsasdir) fonts grfont.dat] \ |
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| 216 | [file join $expgui(gsasdir) pgl grfont.dat] |
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| 217 | } |
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| 218 | # do we have a PGPLOT fonts file? |
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| 219 | if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \ |
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| 220 | [file exists [file join $expgui(gsasdir) fonts pgfont.dat]]} { |
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| 221 | catch {file mkdir [file join $expgui(gsasdir) pgl]} |
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| 222 | file copy [file join $expgui(gsasdir) fonts pgfont.dat] \ |
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| 223 | [file join $expgui(gsasdir) pgl grfont.dat] |
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| 224 | } |
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| 225 | # do we have a PGPLOT fonts file? |
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| 226 | if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \ |
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| 227 | [file exists [file join $expgui(gsasdir) pgl pgfont.dat]]} { |
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| 228 | file copy [file join $expgui(gsasdir) pgl pgfont.dat] \ |
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| 229 | [file join $expgui(gsasdir) pgl grfont.dat] |
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| 230 | } |
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| 231 | if ![file exists [file join $expgui(gsasdir) pgl grfont.dat]] { |
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| 232 | MyMessageBox -parent . -title "PGPLOT Error" \ |
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| 233 | -message "Warning -- Unable to find file GRFONT.DAT in [file join $expgui(gsasdir) pgl]. GSAS graphics will not work. Is GSAS correctly installed?" \ |
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| 234 | -icon warning -type {"Limp Ahead"} -default "Limp Ahead" \ |
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| 235 | -helplink "expguierr.html NoPGPLOT" |
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| 236 | } |
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| 237 | #--------------------------------------------------------------------------- |
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| 238 | if {$expgui(expfile) != ""} { |
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| 239 | # is there a space in the EXP name? |
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| 240 | if {[string first " " [file tail $expgui(expfile)]] != -1} { |
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| 241 | update |
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| 242 | MyMessageBox -parent . -title "File Name Error" \ |
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| 243 | -message "File name \"$expgui(expfile)\" is invalid -- EXPGUI cannot process experiment files with spaces in the name" \ |
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| 244 | -icon warning -type Continue -default continue |
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| 245 | # -helplink "expguierr.html OpenErr" |
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| 246 | set expgui(expfile) {} |
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| 247 | } elseif {[string first " " [file dirname $expgui(expfile)]] != -1} { |
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| 248 | update |
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| 249 | MyMessageBox -parent . -title "Good luck..." \ |
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| 250 | -message "You are using a directory with a space in the name ([file dirname $expgui(expfile)]) -- You may encounter bugs in EXPGUI. Please e-mail them to Brian.Toby@NIST.gov so they can be fixed." \ |
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| 251 | -icon warning -type Continue -default continue |
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| 252 | # -helplink "expguierr.html OpenErr" |
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| 253 | } elseif ![file exists $expgui(expfile)] { |
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| 254 | update |
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| 255 | set ans [ |
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| 256 | MyMessageBox -parent . -title "File Open Error" \ |
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| 257 | -message "File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]. OK to create?" \ |
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| 258 | -icon question -type {"Select other" "Create"} -default "select other" \ |
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| 259 | -helplink "expguierr.html OpenErr" |
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| 260 | ] |
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| 261 | if {[string tolower $ans] != "create"} {set expgui(expfile) {}} |
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| 262 | } |
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| 263 | } |
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| 264 | set expgui(resize) 0 |
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| 265 | if {$expgui(expfile) == ""} { |
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| 266 | # center the parent window because the getExpFileName window |
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| 267 | # will be centered above it. |
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| 268 | wm withdraw . |
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| 269 | set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ] |
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| 270 | set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2] |
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| 271 | wm geom . +$x+$y |
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| 272 | wm deiconify . |
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| 273 | # windows needed this update before when using tk_getOpenFile. |
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| 274 | # I am not sure it is still needed. |
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| 275 | update |
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| 276 | # |
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| 277 | set expgui(expfile) [getExpFileName ""] |
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| 278 | set expgui(resize) 1 |
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| 279 | } |
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| 280 | if {$expgui(expfile) == ""} exit |
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| 281 | # you've been warned this .EXP does not exist! |
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| 282 | if ![file exists $expgui(expfile)] { |
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| 283 | # create an "empty" exp file |
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| 284 | createexp $expgui(expfile) \ |
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| 285 | [getstring "title for experiment $expgui(expfile)" 60 0] |
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| 286 | } |
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| 287 | catch {cd [string trim [file dirname $expgui(expfile)]]} |
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| 288 | |
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| 289 | # |
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| 290 | # >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> |
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| 291 | # <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>> |
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| 292 | # >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> |
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| 293 | # load exp file and set up dialogs |
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| 294 | proc loadexp {expfile} { |
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| 295 | global expgui expmap entryvar entrycmd tcl_platform |
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| 296 | # is this a compressed archive file? |
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| 297 | if {[string match {*.O[0-9A-F][0-9A-F]} $expfile]} { |
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| 298 | set expgui(expfile) {} |
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| 299 | set expnam [file rootname $expfile] |
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| 300 | set ans [MyMessageBox -parent . -title "Load Archived File" \ |
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| 301 | -message "Loading archived version of $expnam. Do you want to continue using the same experiment name or work with the archived version under a new name?" \ |
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| 302 | -icon question -type "{Use New Name} {Continue with current}" \ |
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| 303 | -default {Use New Name} \ |
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| 304 | -helplink "expguierr.html LoadArchived" |
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| 305 | ] |
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| 306 | # archive the current .EXP file |
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| 307 | if {$ans != "use new name" && [file exists $expfile]} { |
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| 308 | # get the last archived version |
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| 309 | set lastf [lindex [lsort [glob -nocomplain $expnam.{O\[0-9A-F\]\[0-9A-F\]}]] end] |
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| 310 | if {$lastf == ""} { |
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| 311 | set num 01 |
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| 312 | } else { |
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| 313 | regexp {.*\.O([0-9A-F][0-9A-F])$} $lastf a num |
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| 314 | scan $num %x num |
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| 315 | if {$num >= 255} { |
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| 316 | set num FF |
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| 317 | } else { |
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| 318 | set num [string toupper [format %.2x [incr num]]] |
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| 319 | } |
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| 320 | } |
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| 321 | catch { |
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| 322 | set newfile $expnam.O$num |
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| 323 | file rename -force $expnam.EXP $newfile |
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| 324 | set fp [open $expnam.LST a+] |
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| 325 | puts $fp "\n----------------------------------------------" |
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| 326 | puts $fp " Regressing to archive file [file tail $expfile]" |
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| 327 | puts $fp " but first archiving [file tail $expnam.EXP] as [file tail $newfile]" |
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| 328 | puts $fp "----------------------------------------------\n" |
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| 329 | close $fp |
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| 330 | } |
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| 331 | file copy -force $expfile $expnam.EXP |
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| 332 | set expfile $expnam.EXP |
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| 333 | } |
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| 334 | if {$ans == "use new name"} { |
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| 335 | set newexpfile [getExpFileName new] |
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| 336 | if {$newexpfile == ""} return |
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| 337 | file copy -force $expfile $newexpfile |
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| 338 | catch {cd [string trim [file dirname $expgui(expfile)]]} |
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| 339 | set expfile [file tail $newexpfile] |
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| 340 | set expgui(needpowpref) 2 |
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| 341 | set expgui(needpowpref_why) "\tA new .EXP file was created\n" |
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| 342 | } |
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| 343 | } |
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| 344 | set expgui(expfile) $expfile |
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| 345 | |
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| 346 | # change the icon and assign an app to this .EXP file |
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| 347 | global tcl_platform |
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| 348 | if {$tcl_platform(os) == "Darwin" && $expgui(MacAssignApp)} { |
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| 349 | MacSetResourceFork $expfile |
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| 350 | } |
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| 351 | |
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| 352 | # read in the .EXP file |
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| 353 | set fmt [expload $expfile] |
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| 354 | # if the file was not in the correct format, force a rewrite before use |
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| 355 | if {$fmt < 0} { |
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| 356 | # read error |
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| 357 | return |
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| 358 | } elseif {$fmt == 1} { |
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| 359 | set expgui(changed) 0 |
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| 360 | } else { |
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| 361 | set expgui(changed) 1 |
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| 362 | } |
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| 363 | # force exp files to be upper case, force save if name changes |
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| 364 | set filetail [file tail $expfile] |
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| 365 | set filetailcaps [string toupper $filetail] |
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| 366 | if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} { |
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| 367 | set expgui(changed) 1 |
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| 368 | } |
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| 369 | if {[file dirname $expfile] == "."} { |
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| 370 | set expgui(expfile) $filetailcaps |
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| 371 | } else { |
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| 372 | set expgui(expfile) [file join \ |
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| 373 | [file dirname $expfile] $filetailcaps] |
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| 374 | } |
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| 375 | |
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| 376 | mapexp |
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| 377 | set expgui(expModifiedLast) 0 |
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| 378 | catch { |
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| 379 | set expgui(expModifiedLast) [file mtime $expgui(expfile)] |
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| 380 | } |
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| 381 | set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ] |
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| 382 | # set the window/icon title |
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| 383 | wm title . "EXPGUI $expfile" |
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| 384 | set expgui(titleunchanged) 1 |
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| 385 | wm iconname . [file tail $expfile] |
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| 386 | |
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| 387 | # reset the phase buttons |
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| 388 | set expgui(curPhase) "" |
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| 389 | # set the number of phases on the phase page |
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| 390 | setphases |
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| 391 | |
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| 392 | # disable the "global options" that don't make sense based on |
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| 393 | # which histograms present |
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| 394 | foreach num {1 2 3 4 5} { |
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| 395 | set flag($num) 0 |
|---|
| 396 | } |
|---|
| 397 | # save a list of the allowed modes, too |
|---|
| 398 | set expgui(AllowedHistSelectModes) {0 6} |
|---|
| 399 | foreach h $expmap(powderlist) { |
|---|
| 400 | if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1} |
|---|
| 401 | if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1} |
|---|
| 402 | if {[string range $expmap(htype_$h) 1 2] == "XC" && \ |
|---|
| 403 | [histinfo $h lam2] != 0.0} {set flag(3) 1} |
|---|
| 404 | if {[string range $expmap(htype_$h) 1 2] == "XC" && \ |
|---|
| 405 | [histinfo $h lam2] == 0.0} {set flag(4) 1} |
|---|
| 406 | if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1} |
|---|
| 407 | } |
|---|
| 408 | foreach num {1 2 3 4 5} \ |
|---|
| 409 | lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \ |
|---|
| 410 | "Energy Disp Xray"} { |
|---|
| 411 | if $flag($num) { |
|---|
| 412 | $expgui(fm).option.menu.editmode entryconfigure $lbl -state normal |
|---|
| 413 | lappend expgui(AllowedHistSelectModes) $num |
|---|
| 414 | } else { |
|---|
| 415 | $expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled |
|---|
| 416 | } |
|---|
| 417 | } |
|---|
| 418 | # disable traces on entryvar until we are ready |
|---|
| 419 | set entrycmd(trace) 0 |
|---|
| 420 | trace vdelete entryvar w entvartrace |
|---|
| 421 | |
|---|
| 422 | # propogate changes on the least squares page |
|---|
| 423 | set entryvar(cycles) [expinfo cycles] |
|---|
| 424 | set entrycmd(cycles) "expinfo cycles" |
|---|
| 425 | # set expgui(globalmode) 0 |
|---|
| 426 | set expgui(printopt) "Print Options ([expinfo print])" |
|---|
| 427 | set entryvar(title) [expinfo title] |
|---|
| 428 | global printopts |
|---|
| 429 | foreach num [array names printopts] { |
|---|
| 430 | set entrycmd(printopt$num) "printsetting $num" |
|---|
| 431 | set entryvar(printopt$num) [printsetting $num] |
|---|
| 432 | } |
|---|
| 433 | # enable traces on entryvar |
|---|
| 434 | set entrycmd(trace) 1 |
|---|
| 435 | trace variable entryvar w entvartrace |
|---|
| 436 | |
|---|
| 437 | # set fo extraction on LS page |
|---|
| 438 | SetupExtractHist |
|---|
| 439 | # set convergence criterion |
|---|
| 440 | InitLSvars |
|---|
| 441 | |
|---|
| 442 | # update the histogram list & update the page |
|---|
| 443 | sethistlist |
|---|
| 444 | |
|---|
| 445 | # start checking for external changes |
|---|
| 446 | afterawhile |
|---|
| 447 | } |
|---|
| 448 | |
|---|
| 449 | # called to reread the .EXP file |
|---|
| 450 | proc rereadexp {expfile} { |
|---|
| 451 | global expgui |
|---|
| 452 | if $expgui(changed) { |
|---|
| 453 | set decision [tk_dialog .instrSaveData {Save .EXP changes} \ |
|---|
| 454 | {You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \ |
|---|
| 455 | {} 0 "Save and reread" "Reread without Save" "Cancel reread command"] |
|---|
| 456 | switch $decision { |
|---|
| 457 | 0 { savearchiveexp } |
|---|
| 458 | 1 { } |
|---|
| 459 | 2 { return } |
|---|
| 460 | } |
|---|
| 461 | } |
|---|
| 462 | loadexp $expgui(expfile) |
|---|
| 463 | } |
|---|
| 464 | |
|---|
| 465 | proc SaveAsFile {} { |
|---|
| 466 | global expgui |
|---|
| 467 | set newexpfile [getExpFileName new] |
|---|
| 468 | if {$newexpfile == ""} return |
|---|
| 469 | expwrite $newexpfile |
|---|
| 470 | set expgui(expfile) $newexpfile |
|---|
| 471 | catch {cd [string trim [file dirname $expgui(expfile)]]} |
|---|
| 472 | # change the icon and assign an app to this .EXP file |
|---|
| 473 | global tcl_platform |
|---|
| 474 | if {$tcl_platform(os) == "Darwin" && $expgui(MacAssignApp)} { |
|---|
| 475 | MacSetResourceFork $expgui(expfile) |
|---|
| 476 | } |
|---|
| 477 | set expgui(changed) 0 |
|---|
| 478 | set expgui(expModifiedLast) [file mtime $expgui(expfile)] |
|---|
| 479 | set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ] |
|---|
| 480 | # set the window/icon title |
|---|
| 481 | wm title . $expgui(expfile) |
|---|
| 482 | set expgui(titleunchanged) 1 |
|---|
| 483 | wm iconname . [file tail $expgui(expfile)] |
|---|
| 484 | # set convergence criterion |
|---|
| 485 | InitLSvars |
|---|
| 486 | set expgui(needpowpref) 2 |
|---|
| 487 | set expgui(needpowpref_why) "\tA new .EXP file was created\n" |
|---|
| 488 | } |
|---|
| 489 | |
|---|
| 490 | # called to read a different .EXP file |
|---|
| 491 | proc readnewexp {} { |
|---|
| 492 | global expgui expmap |
|---|
| 493 | if $expgui(changed) { |
|---|
| 494 | set decision [tk_dialog .instrSaveData {Save .EXP changes} \ |
|---|
| 495 | {You have made changes to the Experiment. Reading a different file without first saving will cause the changes to be lost. Select an option:} \ |
|---|
| 496 | {} 0 "Save and read" "Read without Save" "Cancel read command"] |
|---|
| 497 | switch $decision { |
|---|
| 498 | 0 { savearchiveexp } |
|---|
| 499 | 1 { } |
|---|
| 500 | 2 { return } |
|---|
| 501 | } |
|---|
| 502 | } |
|---|
| 503 | set newexpfile [getExpFileName old] |
|---|
| 504 | if {$newexpfile == ""} return |
|---|
| 505 | |
|---|
| 506 | # switch to the 1st page |
|---|
| 507 | RaisePage lsFrame |
|---|
| 508 | |
|---|
| 509 | if ![file exists $newexpfile] { |
|---|
| 510 | # you've been warned this .EXP does not exist! |
|---|
| 511 | # create an "empty" exp file |
|---|
| 512 | createexp $newexpfile \ |
|---|
| 513 | [getstring "title for experiment $newexpfile" 60 0] |
|---|
| 514 | } |
|---|
| 515 | set expgui(expfile) $newexpfile |
|---|
| 516 | catch {cd [string trim [file dirname $expgui(expfile)]]} |
|---|
| 517 | set expgui(globalmode) 0 |
|---|
| 518 | loadexp $expgui(expfile) |
|---|
| 519 | |
|---|
| 520 | # reset the phase selection |
|---|
| 521 | set expgui(curPhase) {} |
|---|
| 522 | |
|---|
| 523 | # select the first histogram in the list by default (if there are any) |
|---|
| 524 | if {[llength $expmap(histlistboxcontents)] > 0} { |
|---|
| 525 | set expgui(curhist) 0 |
|---|
| 526 | } else { |
|---|
| 527 | set expgui(curhist) {} |
|---|
| 528 | } |
|---|
| 529 | if {[CountHistory] > 100} { |
|---|
| 530 | DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI" |
|---|
| 531 | } |
|---|
| 532 | } |
|---|
| 533 | |
|---|
| 534 | #------------- set up data read/write layer ---------------------- |
|---|
| 535 | # trace routine on entryvar |
|---|
| 536 | proc entvartrace {array elem action} { |
|---|
| 537 | global expgui entrycmd entryvar entrybox |
|---|
| 538 | if !$entrycmd(trace) return |
|---|
| 539 | |
|---|
| 540 | catch { |
|---|
| 541 | if {$entrycmd($elem) == ""} return |
|---|
| 542 | incr expgui(changed) |
|---|
| 543 | if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "} |
|---|
| 544 | if {$entrycmd($elem) == ""} return |
|---|
| 545 | if [catch { |
|---|
| 546 | set result [eval $entrycmd($elem) set [list $entryvar($elem)]] |
|---|
| 547 | if {!$result} { |
|---|
| 548 | if $expgui(debug) {puts "error with $entrycmd($elem)"} |
|---|
| 549 | catch {$entrybox($elem) config -fg red} |
|---|
| 550 | } else { |
|---|
| 551 | catch {$entrybox($elem) config -fg black} |
|---|
| 552 | } |
|---|
| 553 | if {[string match "*atominfo" [lindex $entrycmd($elem) 0]]} { |
|---|
| 554 | after idle "UpdateAtomLine \ |
|---|
| 555 | [list [lindex $entrycmd($elem) 2]] \ |
|---|
| 556 | [lindex $entrycmd($elem) 1]" |
|---|
| 557 | } |
|---|
| 558 | } errmsg] {error $errmsg} |
|---|
| 559 | } |
|---|
| 560 | } |
|---|
| 561 | |
|---|
| 562 | # disable traces on entryvar until we are ready |
|---|
| 563 | set entrycmd(trace) 0 |
|---|
| 564 | trace variable entryvar w entvartrace |
|---|
| 565 | |
|---|
| 566 | # |
|---|
| 567 | # |
|---|
| 568 | # |
|---|
| 569 | ############################################################################## |
|---|
| 570 | ##### ##################################################### |
|---|
| 571 | ##### PROCEDURES SECTION ##################################################### |
|---|
| 572 | ##### ##################################################### |
|---|
| 573 | ############################################################################## |
|---|
| 574 | |
|---|
| 575 | # save some of the global options in ~/.gsas_config or ~/gsas.config in Windows |
|---|
| 576 | proc SaveOptions {} { |
|---|
| 577 | global expgui env tcl_platform graph peakinfo |
|---|
| 578 | if {$tcl_platform(platform) == "windows"} { |
|---|
| 579 | set fp [open c:/gsas.config a] |
|---|
| 580 | } else { |
|---|
| 581 | set fp [open [file join ~ .gsas_config] a] |
|---|
| 582 | } |
|---|
| 583 | |
|---|
| 584 | puts $fp "# EXPGUI saved options from [clock format [clock seconds]]" |
|---|
| 585 | set itemlist {archive asorttype hsorttype filesort disaglSeparateBox \ |
|---|
| 586 | font autoexpload autoiconify autotick} |
|---|
| 587 | if {$tcl_platform(os) == "Darwin"} { |
|---|
| 588 | lappend itemlist MacAssignApp |
|---|
| 589 | } |
|---|
| 590 | if {$tcl_platform(platform) == "windows" && \ |
|---|
| 591 | $tcl_platform(os) == "Windows 95"} { |
|---|
| 592 | lappend itemlist autoGRWND |
|---|
| 593 | } |
|---|
| 594 | foreach item $itemlist { |
|---|
| 595 | puts $fp "set expgui($item) [list $expgui($item)]" |
|---|
| 596 | } |
|---|
| 597 | if {$tcl_platform(platform) != "windows"} { |
|---|
| 598 | puts $fp "set env(GSASBACKSPACE) [list $env(GSASBACKSPACE)]" |
|---|
| 599 | } |
|---|
| 600 | foreach v {printout legend outname outcmd autoraise color_excl \ |
|---|
| 601 | color_obs color_calc} { |
|---|
| 602 | puts $fp "set graph($v) [list $graph($v)]" |
|---|
| 603 | } |
|---|
| 604 | foreach v {obssym obssize exclsym exclsize} { |
|---|
| 605 | puts $fp "set peakinfo($v) [list $peakinfo($v)]" |
|---|
| 606 | } |
|---|
| 607 | close $fp |
|---|
| 608 | } |
|---|
| 609 | |
|---|
| 610 | proc About { } { |
|---|
| 611 | global expgui expmap |
|---|
| 612 | tk_dialog .about {About...} \ |
|---|
| 613 | "EXPGUI\n\ |
|---|
| 614 | Jonathan Wasserman and Brian Toby\n\ |
|---|
| 615 | NIST Center for Neutron Research\n\n\ |
|---|
| 616 | 2000, Not subject to copyright\n\n\ |
|---|
| 617 | Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\ |
|---|
| 618 | Cite: B. H. Toby, EXPGUI, a graphical\n\ |
|---|
| 619 | user interface for GSAS, J. Appl. Cryst.\n\ |
|---|
| 620 | 34, 210-21 (2001). |
|---|
| 621 | \n\n\ |
|---|
| 622 | Generalized Structure Analysis System\n(GSAS)\n\ |
|---|
| 623 | A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\ |
|---|
| 624 | " \ |
|---|
| 625 | info 0 OK |
|---|
| 626 | } |
|---|
| 627 | proc Cite { } { |
|---|
| 628 | global expgui expmap |
|---|
| 629 | tk_dialog .about {Citations...} \ |
|---|
| 630 | "If you use EXPGUI, please cite\n\n\ |
|---|
| 631 | B.H. Toby, EXPGUI, a graphical\n\ |
|---|
| 632 | user interface for GSAS, J. Appl. Cryst.\n\ |
|---|
| 633 | 34, 210-21 (2001).\n\n\ |
|---|
| 634 | as well as\n\n\ |
|---|
| 635 | A.C. Larson and R.B. Von Dreele,\n\ |
|---|
| 636 | \"General Structure Analysis System (GSAS)\",\n\ |
|---|
| 637 | Los Alamos National Laboratory Report\n\ |
|---|
| 638 | LAUR 86-748 (2000)." \ |
|---|
| 639 | info 0 OK |
|---|
| 640 | } |
|---|
| 641 | |
|---|
| 642 | # this proc is no longer called, but I am leaving it here as it may |
|---|
| 643 | # be of use in the future |
|---|
| 644 | proc MakeAppleScript {} { |
|---|
| 645 | global wishshell expgui |
|---|
| 646 | # create a local script directory, if it does not exist |
|---|
| 647 | if {![file exists ~/Library/Scripts]} {file mkdir ~/Library/Scripts} |
|---|
| 648 | set tmpfile [file nativename ~/tmpscriptfile] |
|---|
| 649 | set startdir [tk_chooseDirectory -initialdir [pwd] -mustexist 1 \ |
|---|
| 650 | -title "Choose GSAS starting directory"] |
|---|
| 651 | if {$startdir == ""} {set startdir "~"} |
|---|
| 652 | set dir [file nativename ~/Library/Scripts] |
|---|
| 653 | if {[set xterm [auto_execok xterm]] == ""} { |
|---|
| 654 | MyMessageBox -parent . -title "xterm not found " \ |
|---|
| 655 | -message "The AppleScript could not be created because the X11 xterm application was not found. Please correct your path and try again." \ |
|---|
| 656 | -icon "error" -type Sorry -default sorry |
|---|
| 657 | # -helplink "expguierr.html Customizewarning" |
|---|
| 658 | return |
|---|
| 659 | } |
|---|
| 660 | set file [tk_getSaveFile -initialdir $dir -initialfile EXPGUI.scpt \ |
|---|
| 661 | -title "Choose location to save script"] |
|---|
| 662 | set path {$PATH:} |
|---|
| 663 | append path [file dirname $xterm] |
|---|
| 664 | set fp [open $tmpfile w] |
|---|
| 665 | # the applescript starts here |
|---|
| 666 | puts $fp {on run} |
|---|
| 667 | puts $fp { tell application "Finder"} |
|---|
| 668 | puts $fp { launch application "X11"} |
|---|
| 669 | puts $fp { end tell} |
|---|
| 670 | puts $fp " set results to do shell script \"cd $startdir; DISPLAY=:0.0 PATH=$path $wishshell $expgui(script) > /dev/null 2>&1 &\"" |
|---|
| 671 | puts $fp {end run} |
|---|
| 672 | # drag & drop |
|---|
| 673 | puts $fp {on open these_files} |
|---|
| 674 | puts $fp { tell application "Finder"} |
|---|
| 675 | puts $fp { launch application "X11"} |
|---|
| 676 | puts $fp { end tell} |
|---|
| 677 | puts $fp { repeat with this_file in these_files} |
|---|
| 678 | puts $fp " set results to do shell script \"cd $startdir; DISPLAY=:0.0 PATH=$path $wishshell $expgui(script) \" & the quoted form of the POSIX path of this_file & \" > /dev/null 2>&1 &\"" |
|---|
| 679 | puts $fp { end repeat} |
|---|
| 680 | puts $fp {end open} |
|---|
| 681 | close $fp |
|---|
| 682 | if {[catch { |
|---|
| 683 | exec osacompile -l AppleScript -o $file $tmpfile |
|---|
| 684 | file delete -force $tmpfile |
|---|
| 685 | MyMessageBox -parent . -title "AppleScript created" \ |
|---|
| 686 | -message "Script $file created & compiled. You may wish to use the Script Editor to save this as an application" \ |
|---|
| 687 | -icon "info" -type OK -default ok \ |
|---|
| 688 | -helplink "osx.html CompileAppleScript" |
|---|
| 689 | } errmsg]} { |
|---|
| 690 | MyMessageBox -parent . -title "AppleScript warning" \ |
|---|
| 691 | -message "An error occurred while attempting to create the script. Please report this bug, including these details:\n$errmsg"\ |
|---|
| 692 | -icon warning -type Ignore -default ignore |
|---|
| 693 | # -helplink "expguierr.html Customizewarning" |
|---|
| 694 | } |
|---|
| 695 | } |
|---|
| 696 | |
|---|
| 697 | # this proc gets called when the export coordinate button is pressed |
|---|
| 698 | # it loads export |
|---|
| 699 | proc BuildCoordExpMenu {menu} { |
|---|
| 700 | global expgui_cmdlist expgui |
|---|
| 701 | # do this only once |
|---|
| 702 | $menu config -postcommand {} |
|---|
| 703 | $menu delete 1 end |
|---|
| 704 | # add the cif export routine |
|---|
| 705 | set cmd gsas2cif |
|---|
| 706 | set action {} |
|---|
| 707 | catch {set action [lindex $expgui_cmdlist($cmd) 0]} |
|---|
| 708 | if {$action != "" && $action != "-"} { |
|---|
| 709 | $menu add command -label $cmd -command [subst $action] |
|---|
| 710 | } |
|---|
| 711 | # get a list of files to read |
|---|
| 712 | set filelist [glob -nocomplain [file join $expgui(scriptdir) export_*.tcl]] |
|---|
| 713 | foreach file $filelist { |
|---|
| 714 | source $file |
|---|
| 715 | $menu add command -label $label -command $action |
|---|
| 716 | } |
|---|
| 717 | } |
|---|
| 718 | |
|---|
| 719 | # utility export routines for the export_*.tcl files: |
|---|
| 720 | # make a box for export |
|---|
| 721 | proc MakeExportBox {win title webref} { |
|---|
| 722 | global expmap expgui |
|---|
| 723 | catch {destroy $win} |
|---|
| 724 | toplevel $win |
|---|
| 725 | wm title $win "Export coordinates" |
|---|
| 726 | if {$webref != ""} { |
|---|
| 727 | bind $win <Key-F1> $webref |
|---|
| 728 | } |
|---|
| 729 | pack [label $win.lbl -text $title] -side top -anchor center |
|---|
| 730 | pack [frame $win.ps] -side top -anchor w |
|---|
| 731 | pack [label $win.ps.lbl -text "Select phase: "] -side left |
|---|
| 732 | foreach num $expmap(phaselist) { |
|---|
| 733 | pack [button $win.ps.$num -text $num \ |
|---|
| 734 | -command "SetExportPhase $num $win"] -side left |
|---|
| 735 | } |
|---|
| 736 | # leave a place for format-specific items |
|---|
| 737 | pack [frame $win.special] -side top |
|---|
| 738 | pack [frame $win.but] -side top -fill x -expand yes |
|---|
| 739 | pack [button $win.but.1 -text Write -command "destroy $win"] -side left |
|---|
| 740 | SetExportPhase [lindex $expmap(phaselist) 0] $win |
|---|
| 741 | pack [button $win.but.2 -text Quit \ |
|---|
| 742 | -command "set expgui(export_phase) 0;destroy $win"] -side left |
|---|
| 743 | pack [button $win.but.help -text Help -bg yellow \ |
|---|
| 744 | -command "MakeWWWHelp expgui.html ExportMSI"] \ |
|---|
| 745 | -side right |
|---|
| 746 | } |
|---|
| 747 | |
|---|
| 748 | # set the phase in response to the button |
|---|
| 749 | proc SetExportPhase {num win} { |
|---|
| 750 | global expmap expgui |
|---|
| 751 | foreach n $expmap(phaselist) { |
|---|
| 752 | if {$n == $num} { |
|---|
| 753 | $win.ps.$n config -relief sunken; |
|---|
| 754 | set expgui(export_phase) $num |
|---|
| 755 | } else { |
|---|
| 756 | $win.ps.$n config -relief raised |
|---|
| 757 | } |
|---|
| 758 | } |
|---|
| 759 | } |
|---|
| 760 | |
|---|
| 761 | # wait until idle |
|---|
| 762 | proc afterawhile {} { |
|---|
| 763 | # cancel any other instances of this loop |
|---|
| 764 | after cancel afterawhile |
|---|
| 765 | after cancel whenidle |
|---|
| 766 | after cancel whenidle |
|---|
| 767 | after idle whenidle |
|---|
| 768 | } |
|---|
| 769 | |
|---|
| 770 | # This is called every 2 seconds to check for changes to the .EXP file |
|---|
| 771 | proc whenidle {} { |
|---|
| 772 | global expgui tcl_platform |
|---|
| 773 | if $expgui(titleunchanged) { |
|---|
| 774 | if {$expgui(changed) != 0} { |
|---|
| 775 | wm title . "$expgui(expfile) (modified)" |
|---|
| 776 | set expgui(titleunchanged) 0 |
|---|
| 777 | } |
|---|
| 778 | } |
|---|
| 779 | if {$expgui(expModifiedLast) == 0} { |
|---|
| 780 | after 2000 afterawhile |
|---|
| 781 | return |
|---|
| 782 | } |
|---|
| 783 | if {![file exists $expgui(expfile)]} { |
|---|
| 784 | after 2000 afterawhile |
|---|
| 785 | return |
|---|
| 786 | } |
|---|
| 787 | if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} { |
|---|
| 788 | # we are "locked". Note that whenidle loop will be restarted later |
|---|
| 789 | if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} { |
|---|
| 790 | return |
|---|
| 791 | } |
|---|
| 792 | set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)] |
|---|
| 793 | |
|---|
| 794 | if {$ans == 0} { |
|---|
| 795 | loadexp $expgui(expfile) |
|---|
| 796 | } elseif {$ans == 1} { |
|---|
| 797 | # reset the time to the next version |
|---|
| 798 | set expgui(expModifiedLast) [file mtime $expgui(expfile)] |
|---|
| 799 | } elseif {$ans == 2} { |
|---|
| 800 | SaveAsFile |
|---|
| 801 | } |
|---|
| 802 | } |
|---|
| 803 | after 2000 afterawhile |
|---|
| 804 | } |
|---|
| 805 | |
|---|
| 806 | # place a message about changes over the main window |
|---|
| 807 | proc ReloadExpMsg {file changes} { |
|---|
| 808 | global expgui tcl_platform |
|---|
| 809 | set msg "File $file has been modified by another program" |
|---|
| 810 | if {$changes == 1} { |
|---|
| 811 | append msg " and you have made a change to this version.\n" |
|---|
| 812 | } elseif {$changes > 0} { |
|---|
| 813 | append msg " and you have made $changes changes to this version.\n" |
|---|
| 814 | } else { |
|---|
| 815 | append msg ".\n" |
|---|
| 816 | } |
|---|
| 817 | append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?" |
|---|
| 818 | |
|---|
| 819 | set w .ask |
|---|
| 820 | catch {destroy $w} |
|---|
| 821 | toplevel $w -class Dialog |
|---|
| 822 | wm title $w "Reload?" |
|---|
| 823 | wm iconname $w "Reload?" |
|---|
| 824 | wm protocol $w WM_DELETE_WINDOW { } |
|---|
| 825 | wm transient $w . |
|---|
| 826 | bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite" |
|---|
| 827 | pack [button $w.help -text Help -bg yellow \ |
|---|
| 828 | -command "MakeWWWHelp expguierr.html Overwrite"] \ |
|---|
| 829 | -side top -anchor e |
|---|
| 830 | frame $w.bot |
|---|
| 831 | pack $w.bot -side bottom |
|---|
| 832 | frame $w.top -class FixedFont |
|---|
| 833 | pack $w.top -side top -fill both -expand 1 |
|---|
| 834 | label $w.top.msg -justify left \ |
|---|
| 835 | -wraplength 5i -font {Times 18} \ |
|---|
| 836 | -text $msg |
|---|
| 837 | if {$tcl_platform(platform) == "windows"} { |
|---|
| 838 | $w.top.msg config -font {Times 14} |
|---|
| 839 | } |
|---|
| 840 | pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m |
|---|
| 841 | pack [button $w.bot.1 -text "Load new" \ |
|---|
| 842 | -default active -command "set expgui(dialogbutton) 0" \ |
|---|
| 843 | ] -side left -expand 1 -padx 3m -pady 2m |
|---|
| 844 | pack [button $w.bot.2 -text "Continue with old" \ |
|---|
| 845 | -command "set expgui(dialogbutton) 1"] \ |
|---|
| 846 | -side left -expand 1 -padx 3m -pady 2m |
|---|
| 847 | if {$changes > 0} { |
|---|
| 848 | pack [button $w.bot.3 -text "Save edited version" \ |
|---|
| 849 | -command "set expgui(dialogbutton) 2"] \ |
|---|
| 850 | -side left -expand 1 -padx 3m -pady 2m |
|---|
| 851 | } |
|---|
| 852 | # Create a binding for <Return> on the dialog |
|---|
| 853 | bind $w <Return> "$w.bot.1 invoke" |
|---|
| 854 | wm withdraw $w |
|---|
| 855 | update idletasks |
|---|
| 856 | |
|---|
| 857 | # for windows put the box in the upper left, for |
|---|
| 858 | # unix center it over the parent (in unix it appears later) |
|---|
| 859 | #if {$tcl_platform(platform) == "windows"} { |
|---|
| 860 | #wm geom $w +0+0 |
|---|
| 861 | #} else { |
|---|
| 862 | |
|---|
| 863 | # compute widths with a catch, since this has been showing an error |
|---|
| 864 | # at least for one Mac user |
|---|
| 865 | set askwid 40 |
|---|
| 866 | catch {set askwid [winfo reqwidth $w]} |
|---|
| 867 | set askhgt 80 |
|---|
| 868 | catch {set askhgt [winfo reqheight $w]} |
|---|
| 869 | # for now, always center the message over the main window |
|---|
| 870 | # center the new window in the middle of the parent |
|---|
| 871 | set x [expr [winfo x .] + [winfo width .]/2 - \ |
|---|
| 872 | $askwid/2 - [winfo vrootx .]] |
|---|
| 873 | set y [expr [winfo y .] + [winfo height .]/2 - \ |
|---|
| 874 | $askhgt/2 - [winfo vrooty .]] |
|---|
| 875 | wm geom $w +$x+$y |
|---|
| 876 | #} |
|---|
| 877 | wm deiconify $w |
|---|
| 878 | |
|---|
| 879 | # Grab the focus |
|---|
| 880 | set oldFocus [focus] |
|---|
| 881 | set oldGrab [grab current $w] |
|---|
| 882 | if {[string compare $oldGrab ""]} { |
|---|
| 883 | set grabStatus [grab status $oldGrab] |
|---|
| 884 | } |
|---|
| 885 | catch {grab $w} |
|---|
| 886 | focus $w.bot.1 |
|---|
| 887 | # for windows rearrange window stacking |
|---|
| 888 | # -- Removed since this will normally happen after the GSAS program |
|---|
| 889 | # has finished |
|---|
| 890 | #if {$tcl_platform(platform) == "windows"} { |
|---|
| 891 | #lower . |
|---|
| 892 | #raise $w . |
|---|
| 893 | #} |
|---|
| 894 | update idletasks |
|---|
| 895 | |
|---|
| 896 | tkwait variable expgui(dialogbutton) |
|---|
| 897 | catch {focus $oldFocus} |
|---|
| 898 | destroy $w |
|---|
| 899 | if {[string compare $oldGrab ""]} { |
|---|
| 900 | if {![string compare $grabStatus "global"]} { |
|---|
| 901 | catch {grab -global $oldGrab} |
|---|
| 902 | } else { |
|---|
| 903 | catch {grab $oldGrab} |
|---|
| 904 | } |
|---|
| 905 | } |
|---|
| 906 | # for windows rearrange window stacking |
|---|
| 907 | #if {$tcl_platform(platform) == "windows"} { |
|---|
| 908 | #raise . |
|---|
| 909 | #} |
|---|
| 910 | return $expgui(dialogbutton) |
|---|
| 911 | } |
|---|
| 912 | |
|---|
| 913 | # -------- called to confirm before exiting |
|---|
| 914 | proc catchQuit {} { |
|---|
| 915 | if {[confirmBeforeSave] == "Continue"} { |
|---|
| 916 | destroy . |
|---|
| 917 | } |
|---|
| 918 | } |
|---|
| 919 | # save the .EXP file before exiting? |
|---|
| 920 | proc confirmBeforeSave {} { |
|---|
| 921 | global expgui |
|---|
| 922 | if !$expgui(changed) { |
|---|
| 923 | return "Continue" |
|---|
| 924 | } |
|---|
| 925 | set decision [tk_dialog .instrSaveData {Save .EXP changes} \ |
|---|
| 926 | {You have made changes to the Experiment, but the changes are not saved. Select an option:} \ |
|---|
| 927 | {} 0 "Save and Exit" "Exit without Save" "Cancel exit command"] |
|---|
| 928 | switch $decision { |
|---|
| 929 | 0 { savearchiveexp; return "Continue" } |
|---|
| 930 | 1 { return "Continue" } |
|---|
| 931 | 2 { return "Cancel" } |
|---|
| 932 | } |
|---|
| 933 | } |
|---|
| 934 | |
|---|
| 935 | # setup buttons for each phase on the phase page |
|---|
| 936 | proc setphases {} { |
|---|
| 937 | global expgui expmap |
|---|
| 938 | eval destroy [winfo children $expgui(phaseFrame).top.ps] |
|---|
| 939 | pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left |
|---|
| 940 | foreach num $expmap(phaselist) { |
|---|
| 941 | pack [button $expgui(phaseFrame).top.ps.$num -text $num \ |
|---|
| 942 | -command "SelectOnePhase $num" -padx 1.5m] -side left |
|---|
| 943 | } |
|---|
| 944 | if {[file executable $expgui(exptool)] && \ |
|---|
| 945 | [llength $expmap(phaselist)]} { |
|---|
| 946 | pack [button $expgui(phaseFrame).top.ps.10 \ |
|---|
| 947 | -text "Replace" -command MakeReplacePhaseBox \ |
|---|
| 948 | ] -side left |
|---|
| 949 | } |
|---|
| 950 | } |
|---|
| 951 | |
|---|
| 952 | # Procedure to respond to changes the phase. |
|---|
| 953 | # This loads the "phases" widgets with data corresponding to the selected phase. |
|---|
| 954 | proc SelectOnePhase {num} { |
|---|
| 955 | global entryvar entrycmd entrybox expmap expgui |
|---|
| 956 | # if no phase has been selected, select the first one |
|---|
| 957 | if {$num == ""} {set num [lindex $expmap(phaselist) 0]} |
|---|
| 958 | |
|---|
| 959 | set crsPhase {} |
|---|
| 960 | $expgui(atomxform) config -text "Xform Atoms" -state disabled |
|---|
| 961 | foreach n $expmap(phaselist) type $expmap(phasetype) { |
|---|
| 962 | if {$n == $num} { |
|---|
| 963 | catch {$expgui(phaseFrame).top.ps.$num config -relief sunken} |
|---|
| 964 | set crsPhase $num |
|---|
| 965 | if {$type == 3} { |
|---|
| 966 | set expgui(phasetype) "Magnetic\nOnly" |
|---|
| 967 | } elseif {$type == 2} { |
|---|
| 968 | set expgui(phasetype) "Magnetic\n& Nuclear" |
|---|
| 969 | } elseif {$type == 4} { |
|---|
| 970 | set expgui(phasetype) "Macromolecular" |
|---|
| 971 | } else { |
|---|
| 972 | set expgui(phasetype) "" |
|---|
| 973 | } |
|---|
| 974 | } else { |
|---|
| 975 | catch {$expgui(phaseFrame).top.ps.$n config -relief raised} |
|---|
| 976 | } |
|---|
| 977 | } |
|---|
| 978 | # no phase is selected |
|---|
| 979 | if {$crsPhase == "" || [llength $expmap(phaselist)] == 0} { |
|---|
| 980 | # disable traces on entryvar |
|---|
| 981 | set entrycmd(trace) 0 |
|---|
| 982 | set entrycmd(phasename) "" |
|---|
| 983 | set entryvar(phasename) "" |
|---|
| 984 | foreach ent {a b c alpha beta gamma} { |
|---|
| 985 | set entryvar($ent) "" |
|---|
| 986 | } |
|---|
| 987 | foreach ent {cellref celldamp} { |
|---|
| 988 | set entrycmd($ent) "" |
|---|
| 989 | set entryvar($ent) "" |
|---|
| 990 | } |
|---|
| 991 | set expgui(curPhase) {} |
|---|
| 992 | # enable traces on entryvar |
|---|
| 993 | set entrycmd(trace) 1 |
|---|
| 994 | $expgui(EditingAtoms) config -text "" |
|---|
| 995 | DisplayAtom 0 0 |
|---|
| 996 | DisplayU 0 0 |
|---|
| 997 | DisplayRefFlags 0 0 |
|---|
| 998 | $expgui(atomlistbox) delete 0 end |
|---|
| 999 | return |
|---|
| 1000 | } |
|---|
| 1001 | |
|---|
| 1002 | # don't reload the last displayed phase |
|---|
| 1003 | if {$expgui(curPhase) == $crsPhase} return |
|---|
| 1004 | |
|---|
| 1005 | ########################################################## |
|---|
| 1006 | # load and display a phase |
|---|
| 1007 | ########################################################## |
|---|
| 1008 | # disable traces on entryvar while loading |
|---|
| 1009 | set entrycmd(trace) 0 |
|---|
| 1010 | # phase title |
|---|
| 1011 | set entrycmd(phasename) "phaseinfo $crsPhase name" |
|---|
| 1012 | set entryvar(phasename) [phaseinfo $crsPhase name] |
|---|
| 1013 | # cell parameters & flags |
|---|
| 1014 | foreach ent {a b c alpha beta gamma} { |
|---|
| 1015 | set entryvar($ent) [phaseinfo $crsPhase $ent] |
|---|
| 1016 | } |
|---|
| 1017 | foreach ent {cellref celldamp} { |
|---|
| 1018 | set entrycmd($ent) "phaseinfo $crsPhase $ent" |
|---|
| 1019 | set entryvar($ent) [phaseinfo $crsPhase $ent] |
|---|
| 1020 | } |
|---|
| 1021 | |
|---|
| 1022 | # initialize atoms display & disable |
|---|
| 1023 | DisplayAtom 0 0 |
|---|
| 1024 | DisplayU 0 0 |
|---|
| 1025 | DisplayRefFlags 0 0 |
|---|
| 1026 | $expgui(EditingAtoms) config -text "" |
|---|
| 1027 | |
|---|
| 1028 | DisplayAllAtoms $crsPhase |
|---|
| 1029 | |
|---|
| 1030 | # enable traces on entryvar now |
|---|
| 1031 | set entrycmd(trace) 1 |
|---|
| 1032 | } |
|---|
| 1033 | |
|---|
| 1034 | set expgui(noreenterDisplayAllAtoms) 0 |
|---|
| 1035 | # Populate expgui(atomlistbox) (a ScrolledListBox) with atoms |
|---|
| 1036 | # from the selected phase. |
|---|
| 1037 | proc DisplayAllAtoms {curPhase "mode reset"} { |
|---|
| 1038 | global entryvar entrycmd expmap expgui |
|---|
| 1039 | # if it does not show, we don't have a phase or we are already displaying |
|---|
| 1040 | # don't bother |
|---|
| 1041 | if {$expgui(pagenow) != "phaseFrame"} return |
|---|
| 1042 | if {$curPhase == ""} return |
|---|
| 1043 | if $expgui(noreenterDisplayAllAtoms) return |
|---|
| 1044 | # prevent reentry |
|---|
| 1045 | set expgui(noreenterDisplayAllAtoms) 1 |
|---|
| 1046 | # set the current phase |
|---|
| 1047 | set expgui(curPhase) $curPhase |
|---|
| 1048 | if {$mode != "reset"} { |
|---|
| 1049 | # save the scrolled position |
|---|
| 1050 | set pos [lindex [$expgui(atomlistbox) yview] 0] |
|---|
| 1051 | } else { |
|---|
| 1052 | # for reset, do not keep the previously selected atoms |
|---|
| 1053 | set expgui(selectedatomlist) {} |
|---|
| 1054 | } |
|---|
| 1055 | $expgui(atomlistbox) delete 0 end |
|---|
| 1056 | # displaying a macromolecular phase? |
|---|
| 1057 | if {[lindex $expmap(phasetype) [expr {$expgui(curPhase) - 1}]] == 4} { |
|---|
| 1058 | set mm 1 |
|---|
| 1059 | $expgui(phaseFrame).top.ps.10 config -state disabled |
|---|
| 1060 | $expgui(AddAtomBut) config -state disabled |
|---|
| 1061 | pleasewait "loading atoms..." |
|---|
| 1062 | } else { |
|---|
| 1063 | set mm 0 |
|---|
| 1064 | if {[file executable $expgui(exptool)]} { |
|---|
| 1065 | $expgui(phaseFrame).top.ps.10 config -state normal |
|---|
| 1066 | $expgui(AddAtomBut) config -state normal |
|---|
| 1067 | } |
|---|
| 1068 | } |
|---|
| 1069 | |
|---|
| 1070 | # prepare header info |
|---|
| 1071 | set maxline I |
|---|
| 1072 | set phase $expgui(curPhase) |
|---|
| 1073 | set atomlist {} |
|---|
| 1074 | set typehead "type " |
|---|
| 1075 | set namehead " name " |
|---|
| 1076 | set multhead "Mult" |
|---|
| 1077 | set coordhead " " |
|---|
| 1078 | if {$mm} { |
|---|
| 1079 | set cmd mmatominfo |
|---|
| 1080 | set frachead "Occ." |
|---|
| 1081 | } else { |
|---|
| 1082 | set cmd atominfo |
|---|
| 1083 | set frachead "Occupancy" |
|---|
| 1084 | } |
|---|
| 1085 | set reshead "res/grp/#" |
|---|
| 1086 | # sort the atoms, as requested |
|---|
| 1087 | if {$expgui(asorttype) == "type"} { |
|---|
| 1088 | # sort on atom type |
|---|
| 1089 | set typehead "type* " |
|---|
| 1090 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1091 | lappend atomlist "$atom [$cmd $phase $atom type] $phase" |
|---|
| 1092 | } |
|---|
| 1093 | set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist] |
|---|
| 1094 | } elseif {$expgui(asorttype) == "number"} { |
|---|
| 1095 | # sort on atom number |
|---|
| 1096 | set namehead "* name " |
|---|
| 1097 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1098 | lappend atomlist "$atom $atom $phase" |
|---|
| 1099 | } |
|---|
| 1100 | set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist] |
|---|
| 1101 | } elseif {$expgui(asorttype) == "mult"} { |
|---|
| 1102 | if {$mm} { |
|---|
| 1103 | set reshead "res*/grp/#" |
|---|
| 1104 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1105 | lappend atomlist "$atom [mmatominfo $phase $atom residue] $phase" |
|---|
| 1106 | } |
|---|
| 1107 | set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist] |
|---|
| 1108 | } else { |
|---|
| 1109 | # sort on atom number |
|---|
| 1110 | set multhead "Mlt*" |
|---|
| 1111 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1112 | lappend atomlist "$atom [atominfo $phase $atom mult] $phase" |
|---|
| 1113 | } |
|---|
| 1114 | set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist] |
|---|
| 1115 | } |
|---|
| 1116 | } elseif {$expgui(asorttype) == "occupancy"} { |
|---|
| 1117 | # sort on atom number |
|---|
| 1118 | if {$mm} { |
|---|
| 1119 | set frachead " Occ* " |
|---|
| 1120 | } else { |
|---|
| 1121 | set frachead " Occup* " |
|---|
| 1122 | } |
|---|
| 1123 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1124 | lappend atomlist "$atom [$cmd $phase $atom frac] $phase" |
|---|
| 1125 | } |
|---|
| 1126 | set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist] |
|---|
| 1127 | } elseif {$expgui(asorttype) == "x"} { |
|---|
| 1128 | # sort on x |
|---|
| 1129 | set coordhead "(x*)" |
|---|
| 1130 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1131 | lappend atomlist "$atom [$cmd $phase $atom x] $phase" |
|---|
| 1132 | } |
|---|
| 1133 | set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist] |
|---|
| 1134 | } elseif {$expgui(asorttype) == "y"} { |
|---|
| 1135 | # sort on y |
|---|
| 1136 | set coordhead "(y*)" |
|---|
| 1137 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1138 | lappend atomlist "$atom [$cmd $phase $atom y] $phase" |
|---|
| 1139 | } |
|---|
| 1140 | set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist] |
|---|
| 1141 | } elseif {$expgui(asorttype) == "z"} { |
|---|
| 1142 | # sort on z |
|---|
| 1143 | set coordhead "(z*)" |
|---|
| 1144 | foreach atom $expmap(atomlist_$phase) { |
|---|
| 1145 | lappend atomlist "$atom [$cmd $phase $atom z] $phase" |
|---|
| 1146 | } |
|---|
| 1147 | set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist] |
|---|
| 1148 | } else { |
|---|
| 1149 | error "Bad expgui(asorttype) = $expgui(asorttype)" |
|---|
| 1150 | } |
|---|
| 1151 | |
|---|
| 1152 | set expgui(atomlistboxline) {} |
|---|
| 1153 | # loop over atoms |
|---|
| 1154 | foreach tuple $expmap(atomlistboxcontents) { |
|---|
| 1155 | set atom [lindex $tuple 0] |
|---|
| 1156 | set phase [lindex $tuple 2] |
|---|
| 1157 | lappend expgui(atomlistboxline) $atom |
|---|
| 1158 | $expgui(atomlistbox) insert end \ |
|---|
| 1159 | [FormatAtomLine $atom $phase maxline] |
|---|
| 1160 | } |
|---|
| 1161 | $expgui(atomtitle) delete 0 end |
|---|
| 1162 | |
|---|
| 1163 | # create the header |
|---|
| 1164 | if {$mm} { |
|---|
| 1165 | $expgui(atomtitle) insert end [format "%12s %9s %6s %8s%29s %4s %s" \ |
|---|
| 1166 | $namehead $reshead $typehead "ref/damp " \ |
|---|
| 1167 | "fractional coordinates$coordhead" \ |
|---|
| 1168 | "$frachead" \ |
|---|
| 1169 | " Uiso"] |
|---|
| 1170 | donewait |
|---|
| 1171 | } elseif {$maxline == "A"} { |
|---|
| 1172 | $expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \ |
|---|
| 1173 | $namehead $typehead "ref/damp " \ |
|---|
| 1174 | "fractional coordinates$coordhead" \ |
|---|
| 1175 | "$multhead $frachead" \ |
|---|
| 1176 | " Uiso/Uij "] |
|---|
| 1177 | } else { |
|---|
| 1178 | $expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \ |
|---|
| 1179 | $namehead $typehead "ref/damp " \ |
|---|
| 1180 | "fractional coordinates$coordhead" \ |
|---|
| 1181 | "$multhead $frachead" \ |
|---|
| 1182 | " Uiso"] |
|---|
| 1183 | } |
|---|
| 1184 | if {$mode != "reset"} { |
|---|
| 1185 | # restore the selected items |
|---|
| 1186 | foreach i $expgui(selectedatomlist) { |
|---|
| 1187 | $expgui(atomlistbox) selection set $i |
|---|
| 1188 | } |
|---|
| 1189 | # restore the last scrolled position |
|---|
| 1190 | $expgui(atomlistbox) yview moveto $pos |
|---|
| 1191 | } |
|---|
| 1192 | # clear the reentry flag |
|---|
| 1193 | set expgui(noreenterDisplayAllAtoms) 0 |
|---|
| 1194 | } |
|---|
| 1195 | |
|---|
| 1196 | proc FormatAtomLine {atom phase maxline_var} { |
|---|
| 1197 | global expmap |
|---|
| 1198 | if {[lindex $expmap(phasetype) [expr {$phase - 1}]] == 4} { |
|---|
| 1199 | foreach type {x u f} { |
|---|
| 1200 | if {[mmatominfo $phase $atom ${type}ref]} { |
|---|
| 1201 | append refflag "[string toupper $type][mmatominfo $phase $atom ${type}damp] " |
|---|
| 1202 | } else { |
|---|
| 1203 | append refflag " [mmatominfo $phase $atom ${type}damp] " |
|---|
| 1204 | } |
|---|
| 1205 | } |
|---|
| 1206 | set line [format \ |
|---|
| 1207 | "%5d %-6s %-3s%-2s%4d %-6s %8s %9.5f%9.5f%9.5f%8.4f %7.4f" \ |
|---|
| 1208 | $atom \ |
|---|
| 1209 | [mmatominfo $phase $atom label] \ |
|---|
| 1210 | [mmatominfo $phase $atom residue] \ |
|---|
| 1211 | [mmatominfo $phase $atom group] \ |
|---|
| 1212 | [mmatominfo $phase $atom resnum] \ |
|---|
| 1213 | [mmatominfo $phase $atom type] \ |
|---|
| 1214 | $refflag \ |
|---|
| 1215 | [mmatominfo $phase $atom x] \ |
|---|
| 1216 | [mmatominfo $phase $atom y] \ |
|---|
| 1217 | [mmatominfo $phase $atom z] \ |
|---|
| 1218 | [mmatominfo $phase $atom frac] \ |
|---|
| 1219 | [mmatominfo $phase $atom Uiso] |
|---|
| 1220 | ] |
|---|
| 1221 | } elseif {[atominfo $phase $atom temptype] == "A"} { |
|---|
| 1222 | foreach type {x u f} { |
|---|
| 1223 | if {[atominfo $phase $atom ${type}ref]} { |
|---|
| 1224 | append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] " |
|---|
| 1225 | } else { |
|---|
| 1226 | append refflag " [atominfo $phase $atom ${type}damp] " |
|---|
| 1227 | } |
|---|
| 1228 | } |
|---|
| 1229 | # want to set maxline in parent |
|---|
| 1230 | upvar $maxline_var maxline |
|---|
| 1231 | set maxline A |
|---|
| 1232 | # aniso |
|---|
| 1233 | set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \ |
|---|
| 1234 | $atom \ |
|---|
| 1235 | [atominfo $phase $atom label] \ |
|---|
| 1236 | [atominfo $phase $atom type] \ |
|---|
| 1237 | $refflag \ |
|---|
| 1238 | [atominfo $phase $atom x] \ |
|---|
| 1239 | [atominfo $phase $atom y] \ |
|---|
| 1240 | [atominfo $phase $atom z] \ |
|---|
| 1241 | [atominfo $phase $atom mult] \ |
|---|
| 1242 | [atominfo $phase $atom frac] |
|---|
| 1243 | ] |
|---|
| 1244 | append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \ |
|---|
| 1245 | [atominfo $phase $atom U11] \ |
|---|
| 1246 | [atominfo $phase $atom U22] \ |
|---|
| 1247 | [atominfo $phase $atom U33] \ |
|---|
| 1248 | [atominfo $phase $atom U12] \ |
|---|
| 1249 | [atominfo $phase $atom U23] \ |
|---|
| 1250 | [atominfo $phase $atom U13] |
|---|
| 1251 | ] |
|---|
| 1252 | } else { |
|---|
| 1253 | foreach type {x u f} { |
|---|
| 1254 | if {[atominfo $phase $atom ${type}ref]} { |
|---|
| 1255 | append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] " |
|---|
| 1256 | } else { |
|---|
| 1257 | append refflag " [atominfo $phase $atom ${type}damp] " |
|---|
| 1258 | } |
|---|
| 1259 | } |
|---|
| 1260 | set line [format \ |
|---|
| 1261 | "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f %9.5f" \ |
|---|
| 1262 | $atom \ |
|---|
| 1263 | [atominfo $phase $atom label] \ |
|---|
| 1264 | [atominfo $phase $atom type] \ |
|---|
| 1265 | $refflag \ |
|---|
| 1266 | [atominfo $phase $atom x] \ |
|---|
| 1267 | [atominfo $phase $atom y] \ |
|---|
| 1268 | [atominfo $phase $atom z] \ |
|---|
| 1269 | [atominfo $phase $atom mult] \ |
|---|
| 1270 | [atominfo $phase $atom frac] \ |
|---|
| 1271 | [atominfo $phase $atom Uiso] |
|---|
| 1272 | ] |
|---|
| 1273 | } |
|---|
| 1274 | return $line |
|---|
| 1275 | } |
|---|
| 1276 | |
|---|
| 1277 | # update the display of atom as they are changed |
|---|
| 1278 | proc UpdateAtomLine {atomlist phase} { |
|---|
| 1279 | global expgui |
|---|
| 1280 | # for lots of atoms, it is faster to repaint the listbox |
|---|
| 1281 | if {[llength $atomlist] > 25} { |
|---|
| 1282 | DisplayAllAtoms $expgui(curPhase) noreset |
|---|
| 1283 | return |
|---|
| 1284 | } |
|---|
| 1285 | foreach atom $atomlist { |
|---|
| 1286 | set linenum [lsearch -exact $expgui(atomlistboxline) $atom] |
|---|
| 1287 | $expgui(atomlistbox) delete $linenum |
|---|
| 1288 | $expgui(atomlistbox) insert $linenum \ |
|---|
| 1289 | [FormatAtomLine $atom $phase maxline] |
|---|
| 1290 | } |
|---|
| 1291 | # restore the selected items |
|---|
| 1292 | foreach i $expgui(selectedatomlist) { |
|---|
| 1293 | $expgui(atomlistbox) selection set $i |
|---|
| 1294 | } |
|---|
| 1295 | } |
|---|
| 1296 | |
|---|
| 1297 | # Procedure to select all atoms in response to a right-click |
|---|
| 1298 | proc SelectAllAtoms {} { |
|---|
| 1299 | global expgui |
|---|
| 1300 | $expgui(atomlistbox) selection set 0 end |
|---|
| 1301 | # call editRecord in case trace was called before the selection was made |
|---|
| 1302 | editRecord |
|---|
| 1303 | } |
|---|
| 1304 | |
|---|
| 1305 | # Procedure to respond to left mouse release in the atoms Pane |
|---|
| 1306 | proc editRecord { args } { |
|---|
| 1307 | global entrycmd expgui |
|---|
| 1308 | set expgui(selectedatomlist) [$expgui(atomlistbox) curselection] |
|---|
| 1309 | # disable traces on entryvar for right now |
|---|
| 1310 | set entrycmd(trace) 0 |
|---|
| 1311 | |
|---|
| 1312 | if {[llength $expgui(selectedatomlist)] == 0} { |
|---|
| 1313 | if $expgui(debug) {error "Attempt display non-existent atoms"} |
|---|
| 1314 | } elseif {[llength $expgui(selectedatomlist)] == 1} { |
|---|
| 1315 | editOneRecord $expgui(selectedatomlist) |
|---|
| 1316 | } else { |
|---|
| 1317 | editMultipleRecords $expgui(selectedatomlist) |
|---|
| 1318 | } |
|---|
| 1319 | # reenable traces on entryvar |
|---|
| 1320 | set entrycmd(trace) 1 |
|---|
| 1321 | # repaint the atoms box in case anything was changed |
|---|
| 1322 | # DisplayAllAtoms noreset |
|---|
| 1323 | } |
|---|
| 1324 | |
|---|
| 1325 | proc editOneRecord { AtomIndex } { |
|---|
| 1326 | global expmap expgui |
|---|
| 1327 | # get atom number & phase |
|---|
| 1328 | set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex] |
|---|
| 1329 | set atomnum [lindex $tuple 0] |
|---|
| 1330 | set p [lindex $tuple 2] |
|---|
| 1331 | DisplayU $atomnum $p |
|---|
| 1332 | DisplayAtom $atomnum $p |
|---|
| 1333 | DisplayRefFlags $atomnum $p |
|---|
| 1334 | $expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]" |
|---|
| 1335 | $expgui(atomxform) config -text "Xform Atom" -state normal |
|---|
| 1336 | } |
|---|
| 1337 | |
|---|
| 1338 | # this will not work for a multi-phase list of atoms (yet) |
|---|
| 1339 | proc editMultipleRecords { AtomIndexList } { |
|---|
| 1340 | global expmap expgui |
|---|
| 1341 | set numberList {} |
|---|
| 1342 | # current phase |
|---|
| 1343 | set p $expgui(curPhase) |
|---|
| 1344 | foreach AtomIndex $AtomIndexList { |
|---|
| 1345 | # get atom number & phase |
|---|
| 1346 | set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex] |
|---|
| 1347 | lappend numberList [lindex $tuple 0] |
|---|
| 1348 | # set p [lindex $tuple 2] |
|---|
| 1349 | } |
|---|
| 1350 | # this needs to track by phase |
|---|
| 1351 | $expgui(EditingAtoms) config -text \ |
|---|
| 1352 | "Set refinement options: atoms [CompressList $numberList]" |
|---|
| 1353 | DisplayU 0 0 |
|---|
| 1354 | DisplayAtom 0 0 |
|---|
| 1355 | # this needs to track by phase |
|---|
| 1356 | DisplayRefFlags $numberList $p |
|---|
| 1357 | $expgui(atomxform) config -text "Xform Atoms" -state normal |
|---|
| 1358 | } |
|---|
| 1359 | |
|---|
| 1360 | # format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15" |
|---|
| 1361 | # becomes "1-4,6,7,13-15,19" |
|---|
| 1362 | proc CompressList {numberList "max 9999"} { |
|---|
| 1363 | # format the number list to save space |
|---|
| 1364 | set lastnum -99 |
|---|
| 1365 | set flist {} |
|---|
| 1366 | set count 0 |
|---|
| 1367 | set length 0 |
|---|
| 1368 | if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList} |
|---|
| 1369 | foreach num $sortlist { |
|---|
| 1370 | set next [expr $lastnum+1] |
|---|
| 1371 | if {$num != $next} { |
|---|
| 1372 | if {$count == 0 && $flist != ""} { |
|---|
| 1373 | if {[string length $flist] - $length > $max} { |
|---|
| 1374 | set length [string length $flist] |
|---|
| 1375 | append flist ",\n$num" |
|---|
| 1376 | } else { |
|---|
| 1377 | append flist ",$num" |
|---|
| 1378 | } |
|---|
| 1379 | } elseif {$count == 1 && $flist != ""} { |
|---|
| 1380 | if {[string length $flist] - $length > $max} { |
|---|
| 1381 | set length [string length $flist] |
|---|
| 1382 | append flist ",$lastnum,\n$num" |
|---|
| 1383 | } else { |
|---|
| 1384 | append flist ",$lastnum,$num" |
|---|
| 1385 | } |
|---|
| 1386 | } elseif {$flist != ""} { |
|---|
| 1387 | if {[string length $flist] - $length > $max} { |
|---|
| 1388 | set length [string length $flist] |
|---|
| 1389 | append flist "-$lastnum,\n$num" |
|---|
| 1390 | } else { |
|---|
| 1391 | append flist "-$lastnum,$num" |
|---|
| 1392 | } |
|---|
| 1393 | } else { |
|---|
| 1394 | append flist "$num" |
|---|
| 1395 | } |
|---|
| 1396 | set lastnum $num |
|---|
| 1397 | set count 0 |
|---|
| 1398 | } else { |
|---|
| 1399 | incr count |
|---|
| 1400 | incr lastnum |
|---|
| 1401 | } |
|---|
| 1402 | } |
|---|
| 1403 | if {$count == 1 && $flist != ""} { |
|---|
| 1404 | append flist ",$lastnum" |
|---|
| 1405 | } elseif {$flist != "" && $count > 1} { |
|---|
| 1406 | append flist "-$lastnum" |
|---|
| 1407 | } |
|---|
| 1408 | return $flist |
|---|
| 1409 | } |
|---|
| 1410 | |
|---|
| 1411 | # Procedure to display Isotropic or Anisotropic temperature factors |
|---|
| 1412 | # Changes the display to one entry widget for Isotropic motion OR |
|---|
| 1413 | # 6 entry widgets for Anisotropic motion in Frame3. |
|---|
| 1414 | # or disables the widet entirly if atom = 0 |
|---|
| 1415 | proc DisplayU { atomnum p} { |
|---|
| 1416 | global expgui entryvar entrycmd expmap |
|---|
| 1417 | set mm 0 |
|---|
| 1418 | if {$atomnum == 0} { |
|---|
| 1419 | set iOrA disable |
|---|
| 1420 | } elseif {[lindex $expmap(phasetype) 0] == 4} { |
|---|
| 1421 | set mm 1 |
|---|
| 1422 | set iOrA I |
|---|
| 1423 | } else { |
|---|
| 1424 | set iOrA [atominfo $p $atomnum temptype] |
|---|
| 1425 | } |
|---|
| 1426 | |
|---|
| 1427 | set firstbox [lindex $expgui(anisolabels) 0] |
|---|
| 1428 | if { $iOrA == "A" } { |
|---|
| 1429 | $firstbox config -text "U11 " |
|---|
| 1430 | foreach item $expgui(anisolabels) { |
|---|
| 1431 | $item config -fg black |
|---|
| 1432 | } |
|---|
| 1433 | foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} { |
|---|
| 1434 | set entrycmd($var) "atominfo $p $atomnum $var" |
|---|
| 1435 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 1436 | $item config -fg black -state normal -bg white |
|---|
| 1437 | } |
|---|
| 1438 | } elseif { $iOrA == "I" || $iOrA == "disable"} { |
|---|
| 1439 | foreach item $expgui(anisolabels) { |
|---|
| 1440 | $item config -fg $expgui(bkgcolor1) |
|---|
| 1441 | } |
|---|
| 1442 | foreach item [lrange $expgui(anisoentry) 1 end] \ |
|---|
| 1443 | var {U22 U33 U12 U13 U23} { |
|---|
| 1444 | set entrycmd($var) "" |
|---|
| 1445 | set entryvar($var) "" |
|---|
| 1446 | $item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \ |
|---|
| 1447 | -state disabled |
|---|
| 1448 | } |
|---|
| 1449 | if { $iOrA == "disable"} { |
|---|
| 1450 | set entrycmd($var) "" |
|---|
| 1451 | set entryvar($var) "" |
|---|
| 1452 | [lindex $expgui(anisoentry) 0] config \ |
|---|
| 1453 | -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \ |
|---|
| 1454 | -state disabled |
|---|
| 1455 | } elseif {$mm} { |
|---|
| 1456 | set entrycmd(U11) "mmatominfo $p $atomnum Uiso" |
|---|
| 1457 | set entryvar(U11) [eval $entrycmd(U11)] |
|---|
| 1458 | $firstbox config -text Uiso -fg black |
|---|
| 1459 | [lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal |
|---|
| 1460 | } else { |
|---|
| 1461 | set entrycmd(U11) "atominfo $p $atomnum Uiso" |
|---|
| 1462 | set entryvar(U11) [eval $entrycmd(U11)] |
|---|
| 1463 | $firstbox config -text Uiso -fg black |
|---|
| 1464 | [lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal |
|---|
| 1465 | } |
|---|
| 1466 | } |
|---|
| 1467 | } |
|---|
| 1468 | |
|---|
| 1469 | # need to think about multiple phases |
|---|
| 1470 | |
|---|
| 1471 | # Procedure to display refinement flags |
|---|
| 1472 | proc DisplayRefFlags { atomnum p} { |
|---|
| 1473 | global expgui entryvar entrycmd expmap |
|---|
| 1474 | if {$atomnum == 0} { |
|---|
| 1475 | foreach label $expgui(atomreflbl) { |
|---|
| 1476 | $label config -fg $expgui(bkgcolor1) |
|---|
| 1477 | } |
|---|
| 1478 | foreach entry $expgui(atomref) { |
|---|
| 1479 | $entry config -state disabled \ |
|---|
| 1480 | -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) |
|---|
| 1481 | # turn off checkbuttons |
|---|
| 1482 | catch {$entry deselect} |
|---|
| 1483 | |
|---|
| 1484 | } |
|---|
| 1485 | return |
|---|
| 1486 | } |
|---|
| 1487 | foreach label $expgui(atomreflbl) { |
|---|
| 1488 | $label config -fg black |
|---|
| 1489 | } |
|---|
| 1490 | foreach entry $expgui(atomref) { |
|---|
| 1491 | $entry config -state normal -fg black -bg $expgui(bkgcolor1) |
|---|
| 1492 | } |
|---|
| 1493 | if {[lindex $expmap(phasetype) 0] == 4} { |
|---|
| 1494 | foreach var {xref uref fref xdamp udamp fdamp} { |
|---|
| 1495 | set entrycmd($var) "mmatominfo $p [list $atomnum] $var" |
|---|
| 1496 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 1497 | } |
|---|
| 1498 | } else { |
|---|
| 1499 | foreach var {xref uref fref xdamp udamp fdamp} { |
|---|
| 1500 | set entrycmd($var) "atominfo $p [list $atomnum] $var" |
|---|
| 1501 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 1502 | } |
|---|
| 1503 | } |
|---|
| 1504 | } |
|---|
| 1505 | |
|---|
| 1506 | # Procedure to display an atom in the atom edit boxes |
|---|
| 1507 | proc DisplayAtom { atomnum p} { |
|---|
| 1508 | global expgui entryvar entrycmd expmap |
|---|
| 1509 | if {$atomnum == 0} { |
|---|
| 1510 | foreach label $expgui(atomlabels) { |
|---|
| 1511 | $label config -fg $expgui(bkgcolor1) |
|---|
| 1512 | } |
|---|
| 1513 | foreach entry $expgui(atomentry) { |
|---|
| 1514 | $entry config -state disabled \ |
|---|
| 1515 | -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) |
|---|
| 1516 | } |
|---|
| 1517 | return |
|---|
| 1518 | } |
|---|
| 1519 | foreach label $expgui(atomlabels) { |
|---|
| 1520 | $label config -fg black |
|---|
| 1521 | } |
|---|
| 1522 | foreach entry $expgui(atomentry) { |
|---|
| 1523 | $entry config -state normal -fg black -bg white |
|---|
| 1524 | } |
|---|
| 1525 | if {[lindex $expmap(phasetype) 0] == 4} { |
|---|
| 1526 | foreach var {x y z label frac } { |
|---|
| 1527 | set entrycmd($var) "mmatominfo $p $atomnum $var" |
|---|
| 1528 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 1529 | } |
|---|
| 1530 | } else { |
|---|
| 1531 | foreach var {x y z label frac } { |
|---|
| 1532 | set entrycmd($var) "atominfo $p $atomnum $var" |
|---|
| 1533 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 1534 | } |
|---|
| 1535 | } |
|---|
| 1536 | } |
|---|
| 1537 | |
|---|
| 1538 | # make a histogram box; used in MakeHistPane, |
|---|
| 1539 | proc MakeHistBox {frm} { |
|---|
| 1540 | global expgui |
|---|
| 1541 | grid [label $frm.mode -text "Select a Histogram" \ |
|---|
| 1542 | -bg beige -anchor center] \ |
|---|
| 1543 | -row 0 -column 0 -columnspan 2 -sticky ew |
|---|
| 1544 | bind $frm.mode <Button-1> { |
|---|
| 1545 | set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)] |
|---|
| 1546 | set expgui(globalmode) [lindex \ |
|---|
| 1547 | "$expgui(AllowedHistSelectModes) \ |
|---|
| 1548 | $expgui(AllowedHistSelectModes)" [incr i]] |
|---|
| 1549 | sethistlist |
|---|
| 1550 | } |
|---|
| 1551 | bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist} |
|---|
| 1552 | grid [listbox $frm.title -height 1 -relief flat \ |
|---|
| 1553 | -exportselection 0 ] -row 1 -column 0 -sticky ew |
|---|
| 1554 | grid [listbox $frm.lbox -height 10 -width 25 \ |
|---|
| 1555 | -exportselection 0 \ |
|---|
| 1556 | -xscrollcommand "$frm.x set" \ |
|---|
| 1557 | -yscrollcommand "$frm.y set" \ |
|---|
| 1558 | ] -row 2 -column 0 -sticky news |
|---|
| 1559 | lappend expgui(HistSelectList) $frm |
|---|
| 1560 | grid [scrollbar $frm.x -orient horizontal \ |
|---|
| 1561 | -command "move2boxesX \" $frm.title $frm.lbox \" " |
|---|
| 1562 | ] -row 3 -column 0 -sticky ew |
|---|
| 1563 | grid [scrollbar $frm.y \ |
|---|
| 1564 | -command "$frm.lbox yview"] \ |
|---|
| 1565 | -row 2 -column 1 -sticky ns |
|---|
| 1566 | grid columnconfigure $frm 0 -weight 1 |
|---|
| 1567 | grid rowconfigure $frm 2 -weight 1 |
|---|
| 1568 | } |
|---|
| 1569 | |
|---|
| 1570 | # update the histogram list |
|---|
| 1571 | # to do: show histogram ref flags? |
|---|
| 1572 | proc sethistlist {} { |
|---|
| 1573 | global expgui expmap |
|---|
| 1574 | array set lbl { |
|---|
| 1575 | 1 "Select 1 or more\nTOF Histograms" |
|---|
| 1576 | 2 "Select 1 or more\nCW Neutron Histograms" |
|---|
| 1577 | 3 "Select 1 or more\nAlpha 1,2 X-ray Histograms" |
|---|
| 1578 | 4 "Select 1 or more\nmonochromatic X-ray Histograms" |
|---|
| 1579 | 5 "Select 1 or more Energy\nDispersive X-ray Histograms" |
|---|
| 1580 | 6 "Select 1 or more of\n any type Histograms" |
|---|
| 1581 | } |
|---|
| 1582 | foreach lbox $expgui(HistSelectList) { |
|---|
| 1583 | $lbox.title delete 0 end |
|---|
| 1584 | $lbox.lbox delete 0 end |
|---|
| 1585 | if {$expgui(globalmode) != 0} { |
|---|
| 1586 | $lbox.lbox config -selectmode extended |
|---|
| 1587 | $lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow |
|---|
| 1588 | } else { |
|---|
| 1589 | $lbox.lbox config -selectmode browse |
|---|
| 1590 | $lbox.mode config -text "Select a histogram" -bg beige |
|---|
| 1591 | } |
|---|
| 1592 | } |
|---|
| 1593 | # disable the unallowed pages in all mode |
|---|
| 1594 | if {$expgui(globalmode) == 6} { |
|---|
| 1595 | foreach pair $expgui(GlobalModeAllDisable) { |
|---|
| 1596 | if {$expgui(pagenow) == [lindex $pair 0]} { |
|---|
| 1597 | RaisePage lsFrame |
|---|
| 1598 | } |
|---|
| 1599 | eval [lindex $pair 1] -state disabled |
|---|
| 1600 | } |
|---|
| 1601 | } else { |
|---|
| 1602 | foreach pair $expgui(GlobalModeAllDisable) { |
|---|
| 1603 | eval [lindex $pair 1] -state normal |
|---|
| 1604 | } |
|---|
| 1605 | } |
|---|
| 1606 | set histlist {} |
|---|
| 1607 | if {$expgui(hsorttype) == "type"} { |
|---|
| 1608 | # sort on histogram type |
|---|
| 1609 | foreach h [lsort -integer -increasing $expmap(powderlist)] { |
|---|
| 1610 | lappend histlist "$h [string range $expmap(htype_$h) 1 2]" |
|---|
| 1611 | } |
|---|
| 1612 | set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist] |
|---|
| 1613 | } elseif {$expgui(hsorttype) == "number"} { |
|---|
| 1614 | # sort on histogram number |
|---|
| 1615 | foreach h [lsort -integer -increasing $expmap(powderlist)] { |
|---|
| 1616 | lappend histlist "$h $h" |
|---|
| 1617 | } |
|---|
| 1618 | set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist] |
|---|
| 1619 | } elseif {$expgui(hsorttype) == "bank"} { |
|---|
| 1620 | # sort on original bank number |
|---|
| 1621 | foreach h [lsort -integer -increasing $expmap(powderlist)] { |
|---|
| 1622 | lappend histlist "$h [histinfo $h bank]" |
|---|
| 1623 | } |
|---|
| 1624 | set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist] |
|---|
| 1625 | } elseif {$expgui(hsorttype) == "angle"} { |
|---|
| 1626 | # sort on wavelength (CW) or angle (E disp.) |
|---|
| 1627 | foreach h [lsort -integer -increasing $expmap(powderlist)] { |
|---|
| 1628 | if {[string range $expmap(htype_$h) 2 2] == "T"} { |
|---|
| 1629 | set det [format %8.2f [histinfo $h tofangle]] |
|---|
| 1630 | } elseif {[string range $expmap(htype_$h) 2 2] == "C"} { |
|---|
| 1631 | set det [format %8.5f [histinfo $h lam1]] |
|---|
| 1632 | } elseif {[string range $expmap(htype_$h) 2 2] == "E"} { |
|---|
| 1633 | set det [format %8.2f [histinfo $h lam1]] |
|---|
| 1634 | } else { |
|---|
| 1635 | set det {} |
|---|
| 1636 | } |
|---|
| 1637 | lappend histlist "$h $det" |
|---|
| 1638 | } |
|---|
| 1639 | set expmap(histlistboxcontents) [lsort -real -index 1 $histlist] |
|---|
| 1640 | } |
|---|
| 1641 | |
|---|
| 1642 | # title field needs to match longest title |
|---|
| 1643 | foreach lbox $expgui(HistSelectList) { |
|---|
| 1644 | $lbox.title insert end [format "%2s %s %4s %8s %-67s" \ |
|---|
| 1645 | "h#" \ |
|---|
| 1646 | type \ |
|---|
| 1647 | bank \ |
|---|
| 1648 | "ang/wave" \ |
|---|
| 1649 | " title" \ |
|---|
| 1650 | ] |
|---|
| 1651 | } |
|---|
| 1652 | foreach tuple $expmap(histlistboxcontents) { |
|---|
| 1653 | set h [lindex $tuple 0] |
|---|
| 1654 | |
|---|
| 1655 | if {$expgui(globalmode) == 1} { |
|---|
| 1656 | if {[string range $expmap(htype_$h) 2 2] != "T"} continue |
|---|
| 1657 | } elseif {$expgui(globalmode) == 2} { |
|---|
| 1658 | if {[string range $expmap(htype_$h) 1 2] != "NC"} continue |
|---|
| 1659 | } elseif {$expgui(globalmode) == 3} { |
|---|
| 1660 | if {[string range $expmap(htype_$h) 1 2] != "XC" || \ |
|---|
| 1661 | [histinfo $h lam2] == 0.0} continue |
|---|
| 1662 | } elseif {$expgui(globalmode) == 4} { |
|---|
| 1663 | if {[string range $expmap(htype_$h) 1 2] != "XC" || \ |
|---|
| 1664 | [histinfo $h lam2] != 0.0} continue |
|---|
| 1665 | } elseif {$expgui(globalmode) == 5} { |
|---|
| 1666 | if {[string range $expmap(htype_$h) 1 2] != "XE"} continue |
|---|
| 1667 | } |
|---|
| 1668 | |
|---|
| 1669 | if {[string range $expmap(htype_$h) 2 2] == "T"} { |
|---|
| 1670 | set det [format %8.2f [histinfo $h tofangle]] |
|---|
| 1671 | } elseif {[string range $expmap(htype_$h) 2 2] == "C"} { |
|---|
| 1672 | set det [format %8.5f [histinfo $h lam1]] |
|---|
| 1673 | } elseif {[string range $expmap(htype_$h) 2 2] == "E"} { |
|---|
| 1674 | set det [format %8.2f [histinfo $h lam1]] |
|---|
| 1675 | } else { |
|---|
| 1676 | set det {} |
|---|
| 1677 | } |
|---|
| 1678 | foreach lbox $expgui(HistSelectList) { |
|---|
| 1679 | $lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \ |
|---|
| 1680 | $h \ |
|---|
| 1681 | [string range $expmap(htype_$h) 1 3] \ |
|---|
| 1682 | [histinfo $h bank] \ |
|---|
| 1683 | $det \ |
|---|
| 1684 | [string range [histinfo $h title] 0 66] \ |
|---|
| 1685 | ] |
|---|
| 1686 | } |
|---|
| 1687 | } |
|---|
| 1688 | UpdateCurrentPage |
|---|
| 1689 | } |
|---|
| 1690 | |
|---|
| 1691 | proc UpdateCurrentPage {} { |
|---|
| 1692 | global expgui |
|---|
| 1693 | foreach set $expgui(frameactionlist) { |
|---|
| 1694 | if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]} |
|---|
| 1695 | } |
|---|
| 1696 | } |
|---|
| 1697 | |
|---|
| 1698 | #----------------------------------------------------------------------- |
|---|
| 1699 | # ----------- draw Histogram page |
|---|
| 1700 | #----------------------------------------------------------------------- |
|---|
| 1701 | proc DisplayHistogram {} { |
|---|
| 1702 | global expgui entrycmd entryvar entrybox expmap |
|---|
| 1703 | |
|---|
| 1704 | # trap if more than one histogram is selected unless global mode |
|---|
| 1705 | if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} { |
|---|
| 1706 | set expgui(curhist) [lindex $expgui(curhist) 0] |
|---|
| 1707 | } |
|---|
| 1708 | |
|---|
| 1709 | # disable the add histogram button if no phases are present |
|---|
| 1710 | catch { |
|---|
| 1711 | foreach c [winfo children $expgui(histFrame).bb] { |
|---|
| 1712 | if {[llength $expmap(phaselist)] == 0} { |
|---|
| 1713 | $c configure -state disabled |
|---|
| 1714 | } else { |
|---|
| 1715 | $c configure -state normal |
|---|
| 1716 | } |
|---|
| 1717 | } |
|---|
| 1718 | } |
|---|
| 1719 | |
|---|
| 1720 | # display the selected histograms |
|---|
| 1721 | $expgui(histFrame).hs.lbox selection clear 0 end |
|---|
| 1722 | foreach h $expgui(curhist) { |
|---|
| 1723 | $expgui(histFrame).hs.lbox selection set $h |
|---|
| 1724 | } |
|---|
| 1725 | |
|---|
| 1726 | # disable traces on entryvar for right now |
|---|
| 1727 | set entrycmd(trace) 0 |
|---|
| 1728 | |
|---|
| 1729 | # get histogram list |
|---|
| 1730 | set histlist {} |
|---|
| 1731 | foreach item $expgui(curhist) { |
|---|
| 1732 | lappend histlist [lindex $expmap(powderlist) $item] |
|---|
| 1733 | } |
|---|
| 1734 | # must have at least one histogram selected here |
|---|
| 1735 | if {[llength $histlist] == 0} { |
|---|
| 1736 | set expgui(backtermlbl) "" |
|---|
| 1737 | set expgui(backtypelbl) "" |
|---|
| 1738 | foreach var {bref bdamp absref absdamp} { |
|---|
| 1739 | set entrycmd($var) "" |
|---|
| 1740 | set entryvar($var) "" |
|---|
| 1741 | } |
|---|
| 1742 | $expgui(histFrame).top.txt config -text "No Selected Histograms" |
|---|
| 1743 | grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew |
|---|
| 1744 | set expgui(bkglbl) "" |
|---|
| 1745 | set expgui(abslbl) "" |
|---|
| 1746 | eval destroy [winfo children $expgui(diffBox)] |
|---|
| 1747 | set entrycmd(trace) 1 |
|---|
| 1748 | return |
|---|
| 1749 | } |
|---|
| 1750 | |
|---|
| 1751 | if {$expgui(globalmode) != 0} { |
|---|
| 1752 | set expgui(backtermlbl) "" |
|---|
| 1753 | set expgui(backtypelbl) "" |
|---|
| 1754 | foreach var {bref bdamp absref absdamp} { |
|---|
| 1755 | set entrycmd($var) "histinfo [list $histlist] $var" |
|---|
| 1756 | set entryvar($var) [histinfo [lindex $histlist 0] $var] |
|---|
| 1757 | } |
|---|
| 1758 | } else { |
|---|
| 1759 | set hist $histlist |
|---|
| 1760 | set terms [histinfo $hist backterms] |
|---|
| 1761 | set expgui(backtermlbl) "($terms terms)" |
|---|
| 1762 | # background type 3 & 9 have gone away |
|---|
| 1763 | if {[histinfo $hist backtype] == 3 || [histinfo $hist backtype] == 9} { |
|---|
| 1764 | MyMessageBox -parent . -title "Background Change" \ |
|---|
| 1765 | -type ok -default ok \ |
|---|
| 1766 | -icon warning \ |
|---|
| 1767 | -message "Background function #[histinfo $hist backtype] is no longer supported -- the function will now be changed to type #1 & the values reset" |
|---|
| 1768 | histinfo $histlist backtype set 1 |
|---|
| 1769 | incr expgui(changed) |
|---|
| 1770 | for {set num 1 } { $num <= $terms } { incr num } { |
|---|
| 1771 | set var "bterm$num" |
|---|
| 1772 | histinfo $histlist $var set 0 |
|---|
| 1773 | incr expgui(changed) |
|---|
| 1774 | } |
|---|
| 1775 | } |
|---|
| 1776 | set expgui(backtypelbl) "Function type [histinfo $hist backtype]" |
|---|
| 1777 | foreach var {bref bdamp absref absdamp} { |
|---|
| 1778 | set entrycmd($var) "histinfo $hist $var" |
|---|
| 1779 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 1780 | } |
|---|
| 1781 | } |
|---|
| 1782 | # Top box |
|---|
| 1783 | if $expgui(haveBW) { |
|---|
| 1784 | catch {destroy $expgui(histFrame).pflag} |
|---|
| 1785 | } |
|---|
| 1786 | if {$expgui(globalmode) != 0} { |
|---|
| 1787 | $expgui(histFrame).top.txt config \ |
|---|
| 1788 | -text "Selected Histograms: [CompressList $histlist]" |
|---|
| 1789 | grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew |
|---|
| 1790 | set expgui(bkglbl) "Globally Edit Background" |
|---|
| 1791 | set expgui(abslbl) "Globally Edit Absorption" |
|---|
| 1792 | } else { |
|---|
| 1793 | grid forget $expgui(histFrame).top |
|---|
| 1794 | set expgui(bkglbl) "Edit Background" |
|---|
| 1795 | set expgui(abslbl) "Edit Abs./Refl." |
|---|
| 1796 | if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} { |
|---|
| 1797 | TitleFrame $expgui(histFrame).pflag \ |
|---|
| 1798 | -borderwidth 4 -side left -relief groove \ |
|---|
| 1799 | -text "Phase Flags" |
|---|
| 1800 | set expgui(pflag) [$expgui(histFrame).pflag getframe] |
|---|
| 1801 | grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew |
|---|
| 1802 | grid rowconfigure $expgui(histFrame) 2 -minsize 35 |
|---|
| 1803 | foreach p $expmap(phaselist) { |
|---|
| 1804 | pack [checkbutton $expgui(pflag).$p \ |
|---|
| 1805 | -command "GetPhaseFlags $hist" \ |
|---|
| 1806 | -variable expgui(pflag$p) -text $p] -side left |
|---|
| 1807 | if {[lsearch $expmap(phaselist_$hist) $p] == -1} { |
|---|
| 1808 | set expgui(pflag$p) 0 |
|---|
| 1809 | } else { |
|---|
| 1810 | set expgui(pflag$p) 1 |
|---|
| 1811 | } |
|---|
| 1812 | } |
|---|
| 1813 | } |
|---|
| 1814 | } |
|---|
| 1815 | |
|---|
| 1816 | # diffractometer constants |
|---|
| 1817 | foreach var {lam1 lam2 kratio pola ipola ddamp zero \ |
|---|
| 1818 | wref pref dcref daref ratref ttref zref } { |
|---|
| 1819 | set entrycmd($var) "histinfo [list $histlist] $var" |
|---|
| 1820 | set entryvar($var) [histinfo [lindex $histlist 0] $var] |
|---|
| 1821 | } |
|---|
| 1822 | |
|---|
| 1823 | eval destroy [winfo children $expgui(diffBox)] |
|---|
| 1824 | if {$expgui(globalmode) == 0} { |
|---|
| 1825 | if {[string range $expmap(htype_$hist) 2 2] == "T"} { |
|---|
| 1826 | #------ |
|---|
| 1827 | # TOF | |
|---|
| 1828 | #------ |
|---|
| 1829 | grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \ |
|---|
| 1830 | -column 1 -row 1 |
|---|
| 1831 | grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \ |
|---|
| 1832 | -column 2 -row 1 |
|---|
| 1833 | grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \ |
|---|
| 1834 | -column 3 -row 1 -sticky w |
|---|
| 1835 | grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \ |
|---|
| 1836 | -width 15 ] -column 4 -row 1 |
|---|
| 1837 | set entrybox(lam1) $expgui(diffBox).eDCdifc |
|---|
| 1838 | # |
|---|
| 1839 | grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \ |
|---|
| 1840 | -column 1 -row 2 |
|---|
| 1841 | grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \ |
|---|
| 1842 | -column 2 -row 2 |
|---|
| 1843 | grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \ |
|---|
| 1844 | -column 3 -row 2 |
|---|
| 1845 | grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \ |
|---|
| 1846 | -width 15 ] -column 4 -row 2 |
|---|
| 1847 | set entrybox(lam2) $expgui(diffBox).eDCdifa |
|---|
| 1848 | # |
|---|
| 1849 | grid [ label $expgui(diffBox).lDCzero -text "Zero"] \ |
|---|
| 1850 | -column 3 -row 3 |
|---|
| 1851 | grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \ |
|---|
| 1852 | -width 15 ] -column 4 -row 3 |
|---|
| 1853 | set entrybox(zero) $expgui(diffBox).eDCzero |
|---|
| 1854 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 1855 | -column 1 -row 3 -sticky w |
|---|
| 1856 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 1857 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 1858 | } elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} { |
|---|
| 1859 | #--------------- |
|---|
| 1860 | # CW - neutron | |
|---|
| 1861 | #--------------- |
|---|
| 1862 | grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \ |
|---|
| 1863 | -column 1 -row 1 |
|---|
| 1864 | grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \ |
|---|
| 1865 | -column 2 -row 1 |
|---|
| 1866 | grid [ label $expgui(diffBox).lDCdifc -text wave ] \ |
|---|
| 1867 | -column 3 -row 1 -sticky w |
|---|
| 1868 | grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \ |
|---|
| 1869 | -width 15 ] -column 4 -row 1 |
|---|
| 1870 | set entrybox(lam1) $expgui(diffBox).eDCdifc |
|---|
| 1871 | # |
|---|
| 1872 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 1873 | -column 1 -row 3 -sticky w |
|---|
| 1874 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 1875 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 1876 | grid [ label $expgui(diffBox).lDCzero -text "Zero"] \ |
|---|
| 1877 | -column 3 -row 3 |
|---|
| 1878 | grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \ |
|---|
| 1879 | -width 15 ] -column 4 -row 3 |
|---|
| 1880 | set entrybox(zero) $expgui(diffBox).eDCzero |
|---|
| 1881 | } elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \ |
|---|
| 1882 | [histinfo $hist lam2] == 0.0} { |
|---|
| 1883 | #-------------------------- |
|---|
| 1884 | # CW - x-ray 1 wavelength | |
|---|
| 1885 | #-------------------------- |
|---|
| 1886 | grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \ |
|---|
| 1887 | -column 1 -row 1 |
|---|
| 1888 | grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \ |
|---|
| 1889 | -column 2 -row 1 |
|---|
| 1890 | grid [ label $expgui(diffBox).lDCdifc -text wave ] \ |
|---|
| 1891 | -column 3 -row 1 -sticky w |
|---|
| 1892 | grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \ |
|---|
| 1893 | -width 15 ] -column 4 -row 1 |
|---|
| 1894 | set entrybox(lam1) $expgui(diffBox).eDCdifc |
|---|
| 1895 | # |
|---|
| 1896 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 1897 | -column 1 -row 3 -sticky w |
|---|
| 1898 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 1899 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 1900 | grid [ label $expgui(diffBox).lDCzero -text "Zero"] \ |
|---|
| 1901 | -column 3 -row 3 |
|---|
| 1902 | grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \ |
|---|
| 1903 | -width 15 ] -column 4 -row 3 |
|---|
| 1904 | set entrybox(zero) $expgui(diffBox).eDCzero |
|---|
| 1905 | # |
|---|
| 1906 | grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \ |
|---|
| 1907 | -column 1 -row 4 -sticky w |
|---|
| 1908 | grid [ checkbutton $expgui(diffBox).rfDCpref \ |
|---|
| 1909 | -variable entryvar(pref) ] -column 2 -row 4 |
|---|
| 1910 | grid [ label $expgui(diffBox).lDCpola -text POLA ] \ |
|---|
| 1911 | -column 3 -row 4 |
|---|
| 1912 | grid [ entry $expgui(diffBox).eDCpola \ |
|---|
| 1913 | -textvariable entryvar(pola) -width 15 ] -column 4 -row 4 |
|---|
| 1914 | set entrybox(pola) $expgui(diffBox).eDCpola |
|---|
| 1915 | grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \ |
|---|
| 1916 | -column 5 -row 4 |
|---|
| 1917 | grid [ entry $expgui(diffBox).eDCipola -width 2 \ |
|---|
| 1918 | -textvariable entryvar(ipola)] -column 6 -row 4 |
|---|
| 1919 | set entrybox(ipola) $expgui(diffBox).eDCipola |
|---|
| 1920 | } elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} { |
|---|
| 1921 | #--------------------------- |
|---|
| 1922 | # CW - x-ray 2 wavelengths | |
|---|
| 1923 | #--------------------------- |
|---|
| 1924 | grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \ |
|---|
| 1925 | -column 3 -row 1 -sticky w |
|---|
| 1926 | grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \ |
|---|
| 1927 | -width 15 ] -column 4 -row 1 |
|---|
| 1928 | set entrybox(lam1) $expgui(diffBox).eDCdifc |
|---|
| 1929 | grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \ |
|---|
| 1930 | -width 15 ] -column 5 -row 1 |
|---|
| 1931 | set entrybox(lam2) $expgui(diffBox).eDCdifa |
|---|
| 1932 | # |
|---|
| 1933 | grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \ |
|---|
| 1934 | -column 1 -row 2 -sticky w |
|---|
| 1935 | grid [ checkbutton $expgui(diffBox).rfDCrref \ |
|---|
| 1936 | -variable entryvar(ratref) ] -column 2 -row 2 |
|---|
| 1937 | grid [ label $expgui(diffBox).lDCratio -text Ratio ] \ |
|---|
| 1938 | -column 3 -row 2 |
|---|
| 1939 | grid [ entry $expgui(diffBox).eDCkratio \ |
|---|
| 1940 | -textvariable entryvar(kratio) \ |
|---|
| 1941 | -width 15 ] -column 4 -row 2 |
|---|
| 1942 | set entrybox(kratio) $expgui(diffBox).eDCkratio |
|---|
| 1943 | # |
|---|
| 1944 | grid [ label $expgui(diffBox).lDCzero -text "Zero"] \ |
|---|
| 1945 | -column 3 -row 3 |
|---|
| 1946 | grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \ |
|---|
| 1947 | -width 15 ] -column 4 -row 3 |
|---|
| 1948 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 1949 | -column 1 -row 3 -sticky w |
|---|
| 1950 | set entrybox(zero) $expgui(diffBox).eDCzero |
|---|
| 1951 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 1952 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 1953 | grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \ |
|---|
| 1954 | -column 1 -row 4 -sticky w |
|---|
| 1955 | grid [ checkbutton $expgui(diffBox).rfDCpref \ |
|---|
| 1956 | -variable entryvar(pref) ] -column 2 -row 4 |
|---|
| 1957 | grid [ label $expgui(diffBox).lDCpola -text POLA ] \ |
|---|
| 1958 | -column 3 -row 4 |
|---|
| 1959 | grid [ entry $expgui(diffBox).eDCpola \ |
|---|
| 1960 | -textvariable entryvar(pola) -width 15 ] -column 4 -row 4 |
|---|
| 1961 | set entrybox(pola) $expgui(diffBox).eDCpola |
|---|
| 1962 | grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \ |
|---|
| 1963 | -column 5 -row 4 |
|---|
| 1964 | grid [ entry $expgui(diffBox).eDCipola -width 2 \ |
|---|
| 1965 | -textvariable entryvar(ipola)] -column 6 -row 4 |
|---|
| 1966 | set entrybox(ipola) $expgui(diffBox).eDCipola |
|---|
| 1967 | } elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} { |
|---|
| 1968 | #------------- |
|---|
| 1969 | # ED - x-ray | |
|---|
| 1970 | #------------- |
|---|
| 1971 | grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \ |
|---|
| 1972 | -column 1 -row 1 |
|---|
| 1973 | grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \ |
|---|
| 1974 | -column 2 -row 1 |
|---|
| 1975 | grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \ |
|---|
| 1976 | -column 3 -row 1 -sticky w |
|---|
| 1977 | grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \ |
|---|
| 1978 | -width 15 ] -column 4 -row 1 |
|---|
| 1979 | set entrybox(lam1) $expgui(diffBox).eDCdifc |
|---|
| 1980 | # |
|---|
| 1981 | grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \ |
|---|
| 1982 | -column 1 -row 4 -sticky w |
|---|
| 1983 | grid [ checkbutton $expgui(diffBox).rfDCpref \ |
|---|
| 1984 | -variable entryvar(pref) ] -column 2 -row 4 |
|---|
| 1985 | grid [ label $expgui(diffBox).lDCpola -text POLA ] \ |
|---|
| 1986 | -column 3 -row 4 |
|---|
| 1987 | grid [ entry $expgui(diffBox).eDCpola \ |
|---|
| 1988 | -textvariable entryvar(pola) -width 15 ] -column 4 -row 4 |
|---|
| 1989 | set entrybox(pola) $expgui(diffBox).eDCpola |
|---|
| 1990 | grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \ |
|---|
| 1991 | -column 5 -row 4 |
|---|
| 1992 | grid [ entry $expgui(diffBox).eDCipola -width 2 \ |
|---|
| 1993 | -textvariable entryvar(ipola)] -column 6 -row 4 |
|---|
| 1994 | set entrybox(ipola) $expgui(diffBox).eDCipola |
|---|
| 1995 | } |
|---|
| 1996 | } elseif {$expgui(globalmode) == 1} { |
|---|
| 1997 | #------------- |
|---|
| 1998 | # Global TOF | |
|---|
| 1999 | #------------- |
|---|
| 2000 | grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \ |
|---|
| 2001 | -column 1 -row 1 |
|---|
| 2002 | grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \ |
|---|
| 2003 | -column 2 -row 1 |
|---|
| 2004 | grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \ |
|---|
| 2005 | -command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1 |
|---|
| 2006 | # |
|---|
| 2007 | grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \ |
|---|
| 2008 | -column 1 -row 2 |
|---|
| 2009 | grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \ |
|---|
| 2010 | -column 2 -row 2 |
|---|
| 2011 | grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \ |
|---|
| 2012 | -command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2 |
|---|
| 2013 | # |
|---|
| 2014 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 2015 | -column 1 -row 3 -sticky w |
|---|
| 2016 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 2017 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 2018 | grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \ |
|---|
| 2019 | -command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3 |
|---|
| 2020 | } elseif {$expgui(globalmode) == 2} { |
|---|
| 2021 | #-------------------- |
|---|
| 2022 | # Global CW neutron | |
|---|
| 2023 | #-------------------- |
|---|
| 2024 | grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \ |
|---|
| 2025 | -column 1 -row 1 |
|---|
| 2026 | grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \ |
|---|
| 2027 | -column 2 -row 1 |
|---|
| 2028 | grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \ |
|---|
| 2029 | -command "editglobalparm histinfo lam1 Wavelength"] \ |
|---|
| 2030 | -column 3 -row 1 |
|---|
| 2031 | # |
|---|
| 2032 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 2033 | -column 1 -row 3 -sticky w |
|---|
| 2034 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 2035 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 2036 | grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \ |
|---|
| 2037 | -command "editglobalparm histinfo zero Zero"] -column 3 -row 3 |
|---|
| 2038 | } elseif {$expgui(globalmode) == 4} { |
|---|
| 2039 | #---------------------- |
|---|
| 2040 | # Global CW mono xray | |
|---|
| 2041 | #---------------------- |
|---|
| 2042 | grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \ |
|---|
| 2043 | -column 1 -row 1 |
|---|
| 2044 | grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \ |
|---|
| 2045 | -column 2 -row 1 |
|---|
| 2046 | grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \ |
|---|
| 2047 | -command "editglobalparm histinfo lam1 Wavelength"] \ |
|---|
| 2048 | -column 3 -row 1 |
|---|
| 2049 | # |
|---|
| 2050 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 2051 | -column 1 -row 3 -sticky w |
|---|
| 2052 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 2053 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 2054 | grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \ |
|---|
| 2055 | -command "editglobalparm histinfo zero Zero"] -column 3 -row 3 |
|---|
| 2056 | # |
|---|
| 2057 | grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \ |
|---|
| 2058 | -column 1 -row 4 -sticky w |
|---|
| 2059 | grid [ checkbutton $expgui(diffBox).rfDCpref \ |
|---|
| 2060 | -variable entryvar(pref) ] -column 2 -row 4 |
|---|
| 2061 | grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \ |
|---|
| 2062 | -command "editglobalparm histinfo pola POLA"] -column 3 -row 4 |
|---|
| 2063 | grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \ |
|---|
| 2064 | -command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4 |
|---|
| 2065 | } elseif {$expgui(globalmode) == 3} { |
|---|
| 2066 | #------------------------ |
|---|
| 2067 | # Global alpha 1,2 xray | |
|---|
| 2068 | #------------------------ |
|---|
| 2069 | grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \ |
|---|
| 2070 | -command "editglobalparm histinfo lam1 {Wavelength 1}"] \ |
|---|
| 2071 | -column 3 -row 1 |
|---|
| 2072 | grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \ |
|---|
| 2073 | -command "editglobalparm histinfo lam2 {Wavelength 2}"] \ |
|---|
| 2074 | -column 4 -row 1 |
|---|
| 2075 | # |
|---|
| 2076 | grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \ |
|---|
| 2077 | -column 1 -row 2 -sticky w |
|---|
| 2078 | grid [ checkbutton $expgui(diffBox).rfDCratref \ |
|---|
| 2079 | -variable entryvar(ratref) ] -column 2 -row 2 |
|---|
| 2080 | grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \ |
|---|
| 2081 | -command "editglobalparm histinfo ratio {Wavelength Ratio}"] \ |
|---|
| 2082 | -column 3 -row 2 |
|---|
| 2083 | # |
|---|
| 2084 | grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \ |
|---|
| 2085 | -column 1 -row 3 -sticky w |
|---|
| 2086 | grid [ checkbutton $expgui(diffBox).rfDCzref \ |
|---|
| 2087 | -variable entryvar(zref) ] -column 2 -row 3 |
|---|
| 2088 | grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \ |
|---|
| 2089 | -command "editglobalparm histinfo zero Zero"] -column 3 -row 3 |
|---|
| 2090 | # |
|---|
| 2091 | grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \ |
|---|
| 2092 | -column 1 -row 4 -sticky w |
|---|
| 2093 | grid [ checkbutton $expgui(diffBox).rfDCpref \ |
|---|
| 2094 | -variable entryvar(pref) ] -column 2 -row 4 |
|---|
| 2095 | grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \ |
|---|
| 2096 | -command "editglobalparm histinfo pola POLA"] -column 3 -row 4 |
|---|
| 2097 | grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \ |
|---|
| 2098 | -command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4 |
|---|
| 2099 | } elseif {$expgui(globalmode) == 5} { |
|---|
| 2100 | #----------------- |
|---|
| 2101 | # Global ED xray | |
|---|
| 2102 | #----------------- |
|---|
| 2103 | grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \ |
|---|
| 2104 | -column 1 -row 1 |
|---|
| 2105 | grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \ |
|---|
| 2106 | -column 2 -row 1 |
|---|
| 2107 | grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \ |
|---|
| 2108 | -command "editglobalparm histinfo ratio {Fixed 2Theta}"] \ |
|---|
| 2109 | -column 3 -row 1 |
|---|
| 2110 | # |
|---|
| 2111 | grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \ |
|---|
| 2112 | -column 1 -row 4 -sticky w |
|---|
| 2113 | grid [ checkbutton $expgui(diffBox).rfDCpref \ |
|---|
| 2114 | -variable entryvar(pref) ] -column 2 -row 4 |
|---|
| 2115 | grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \ |
|---|
| 2116 | -command "editglobalparm histinfo pola POLA"] -column 3 -row 4 |
|---|
| 2117 | grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \ |
|---|
| 2118 | -command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4 |
|---|
| 2119 | } |
|---|
| 2120 | if {$expgui(globalmode) == 0} { |
|---|
| 2121 | grid [frame $expgui(diffBox).d] -column 5 -row 1 -rowspan 3 \ |
|---|
| 2122 | -columnspan 2 -sticky e |
|---|
| 2123 | } else { |
|---|
| 2124 | grid [frame $expgui(diffBox).d] -column 4 -row 2 -rowspan 2 \ |
|---|
| 2125 | -columnspan 2 -sticky e |
|---|
| 2126 | } |
|---|
| 2127 | grid [label $expgui(diffBox).d.lDamp -text "Damping "] \ |
|---|
| 2128 | -column 1 -row 1 |
|---|
| 2129 | tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 2130 | grid $expgui(diffBox).d.om -column 2 -row 1 |
|---|
| 2131 | grid columnconfigure $expgui(diffBox) 9 -weight 1 |
|---|
| 2132 | grid columnconfigure $expgui(diffBox) 0 -weight 1 |
|---|
| 2133 | update idletasks |
|---|
| 2134 | # enable traces on entryvar now |
|---|
| 2135 | set entrycmd(trace) 1 |
|---|
| 2136 | } |
|---|
| 2137 | |
|---|
| 2138 | # this gets the phase flags as set in the expgui(pflag*) elements |
|---|
| 2139 | # (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags |
|---|
| 2140 | # accordingly using SetPhaseFlag |
|---|
| 2141 | proc GetPhaseFlags {hist} { |
|---|
| 2142 | global expmap expgui |
|---|
| 2143 | set plist {} |
|---|
| 2144 | foreach p $expmap(phaselist) { |
|---|
| 2145 | if {$expgui(pflag$p)} {lappend plist $p} |
|---|
| 2146 | } |
|---|
| 2147 | SetPhaseFlag $hist $plist |
|---|
| 2148 | incr expgui(changed) |
|---|
| 2149 | # set the powpref warning (1 = suggested) |
|---|
| 2150 | set expgui(needpowpref) 2 |
|---|
| 2151 | set msg "Phase flags" |
|---|
| 2152 | if {[string first $msg $expgui(needpowpref_why)] == -1} { |
|---|
| 2153 | append expgui(needpowpref_why) "\t$msg were changed\n" |
|---|
| 2154 | } |
|---|
| 2155 | mapexp |
|---|
| 2156 | } |
|---|
| 2157 | |
|---|
| 2158 | #----------------------------------------------------------------------- |
|---|
| 2159 | # populate the Scaling page |
|---|
| 2160 | #----------------------------------------------------------------------- |
|---|
| 2161 | proc DisplayFrac {} { |
|---|
| 2162 | global expgui entrycmd entryvar entrybox expmap |
|---|
| 2163 | |
|---|
| 2164 | # trap if more than one histogram is selected unless global mode |
|---|
| 2165 | if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} { |
|---|
| 2166 | set expgui(curhist) [lindex $expgui(curhist) 0] |
|---|
| 2167 | } |
|---|
| 2168 | |
|---|
| 2169 | # display the selected histograms |
|---|
| 2170 | $expgui(fracFrame).hs.lbox selection clear 0 end |
|---|
| 2171 | foreach h $expgui(curhist) { |
|---|
| 2172 | $expgui(fracFrame).hs.lbox selection set $h |
|---|
| 2173 | } |
|---|
| 2174 | |
|---|
| 2175 | # disable traces on entryvar |
|---|
| 2176 | set entrycmd(trace) 0 |
|---|
| 2177 | |
|---|
| 2178 | # get histogram list |
|---|
| 2179 | set histlist {} |
|---|
| 2180 | foreach item $expgui(curhist) { |
|---|
| 2181 | lappend histlist [lindex $expmap(powderlist) $item] |
|---|
| 2182 | } |
|---|
| 2183 | |
|---|
| 2184 | # must have at least one histogram selected here |
|---|
| 2185 | if {[llength $histlist] == 0} { |
|---|
| 2186 | foreach var {scale sref sdamp} { |
|---|
| 2187 | set entrycmd($var) "" |
|---|
| 2188 | set entryvar($var) "" |
|---|
| 2189 | } |
|---|
| 2190 | set parm [grid info $expgui(scaleBox).but1] |
|---|
| 2191 | if {$parm != ""} { |
|---|
| 2192 | grid forget $expgui(scaleBox).but1 |
|---|
| 2193 | eval grid $expgui(scaleBox).ent1 $parm |
|---|
| 2194 | } |
|---|
| 2195 | # destroy the contents of the frame |
|---|
| 2196 | set phaseFractf1 $expgui(FracBox).f |
|---|
| 2197 | eval destroy [winfo children $phaseFractf1] |
|---|
| 2198 | # reenable traces on entryvar |
|---|
| 2199 | set entrycmd(trace) 1 |
|---|
| 2200 | return |
|---|
| 2201 | } |
|---|
| 2202 | |
|---|
| 2203 | #-------------- |
|---|
| 2204 | # Scale factor |
|---|
| 2205 | #-------------- |
|---|
| 2206 | if {$expgui(globalmode) != 0} { |
|---|
| 2207 | foreach var {scale sref sdamp} { |
|---|
| 2208 | set entrycmd($var) "histinfo [list $histlist] $var" |
|---|
| 2209 | set entryvar($var) [histinfo [lindex $histlist 0] $var] |
|---|
| 2210 | } |
|---|
| 2211 | # reset scale to black |
|---|
| 2212 | catch {$entrybox(scale) config -fg black} |
|---|
| 2213 | set parm [grid info $expgui(scaleBox).ent1] |
|---|
| 2214 | if {$parm != ""} { |
|---|
| 2215 | grid forget $expgui(scaleBox).ent1 |
|---|
| 2216 | eval grid $expgui(scaleBox).but1 $parm |
|---|
| 2217 | } |
|---|
| 2218 | } else { |
|---|
| 2219 | set hist $histlist |
|---|
| 2220 | foreach var {scale sref sdamp} { |
|---|
| 2221 | set entrycmd($var) "histinfo $hist $var" |
|---|
| 2222 | set entryvar($var) [eval $entrycmd($var)] |
|---|
| 2223 | } |
|---|
| 2224 | # reset scale to black |
|---|
| 2225 | catch {$entrybox(scale) config -fg black} |
|---|
| 2226 | set parm [grid info $expgui(scaleBox).but1] |
|---|
| 2227 | if {$parm != ""} { |
|---|
| 2228 | grid forget $expgui(scaleBox).but1 |
|---|
| 2229 | eval grid $expgui(scaleBox).ent1 $parm |
|---|
| 2230 | } |
|---|
| 2231 | } |
|---|
| 2232 | |
|---|
| 2233 | #---------------- |
|---|
| 2234 | # Phase Fractions |
|---|
| 2235 | #---------------- |
|---|
| 2236 | set phaseFractf1 $expgui(FracBox).f |
|---|
| 2237 | # destroy the contents of the frame |
|---|
| 2238 | eval destroy [winfo children $phaseFractf1] |
|---|
| 2239 | if {$expgui(globalmode) != 0} { |
|---|
| 2240 | set txt "Phase Fractions for Histograms: [CompressList $histlist]" |
|---|
| 2241 | } else { |
|---|
| 2242 | set txt "Phase Fractions" |
|---|
| 2243 | } |
|---|
| 2244 | if $expgui(haveBW) { |
|---|
| 2245 | $expgui(fracFrame).f1.phaseFrac configure -text $txt |
|---|
| 2246 | } else { |
|---|
| 2247 | grid [label $phaseFractf1.txt -anchor center -text $txt] \ |
|---|
| 2248 | -column 0 -row 0 -sticky news |
|---|
| 2249 | } |
|---|
| 2250 | # Create the frame inside the canvas, One frame for each Phase. |
|---|
| 2251 | foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""} |
|---|
| 2252 | foreach hist $histlist { |
|---|
| 2253 | foreach i $expmap(phaselist_$hist) { |
|---|
| 2254 | lappend phasehistlist($i) $hist |
|---|
| 2255 | } |
|---|
| 2256 | } |
|---|
| 2257 | foreach i {1 2 3 4 5 6 7 8 9} { |
|---|
| 2258 | if {[llength $phasehistlist($i)] == 0} continue |
|---|
| 2259 | set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4] |
|---|
| 2260 | grid $framePF -column 0 -row $i -sticky ew |
|---|
| 2261 | # Label Heading for each phase. |
|---|
| 2262 | if {$expgui(globalmode) != 0} { |
|---|
| 2263 | grid [label $framePF.l1 \ |
|---|
| 2264 | -text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \ |
|---|
| 2265 | -column 0 -row 0 -sticky nws |
|---|
| 2266 | grid [button $framePF.but1 -text "Set Globally" \ |
|---|
| 2267 | -command "editglobalparm hapinfo frac \"Phase $i Fraction\" \ |
|---|
| 2268 | [list $phasehistlist($i)] $i" \ |
|---|
| 2269 | ] -column 1 -row 0 |
|---|
| 2270 | } else { |
|---|
| 2271 | grid [label $framePF.l1 -text "Phase $i"] \ |
|---|
| 2272 | -column 0 -row 0 -sticky nws |
|---|
| 2273 | grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\ |
|---|
| 2274 | -column 1 -row 0 |
|---|
| 2275 | set entrybox(frac$i) $framePF.ent |
|---|
| 2276 | } |
|---|
| 2277 | set entrycmd(frac$i) "hapinfo $hist $i frac" |
|---|
| 2278 | set entryvar(frac$i) [hapinfo $hist $i frac] |
|---|
| 2279 | grid [label $framePF.l2 -text " Refine"] \ |
|---|
| 2280 | -column 2 -row 0 -sticky nws |
|---|
| 2281 | grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \ |
|---|
| 2282 | -column 3 -row 0 -sticky nws |
|---|
| 2283 | set entrycmd(frref$i) "hapinfo $hist $i frref" |
|---|
| 2284 | set entryvar(frref$i) [hapinfo $hist $i frref] |
|---|
| 2285 | grid [label $framePF.l3 -text " Damping"] \ |
|---|
| 2286 | -column 4 -row 0 -sticky nws |
|---|
| 2287 | tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \ |
|---|
| 2288 | 0 1 2 3 4 5 6 7 8 9 |
|---|
| 2289 | set entrycmd(frdamp$i) "hapinfo $hist $i frdamp" |
|---|
| 2290 | set entryvar(frdamp$i) [hapinfo $hist $i frdamp] |
|---|
| 2291 | grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5 |
|---|
| 2292 | } |
|---|
| 2293 | # resize the scroll window to match the actual |
|---|
| 2294 | update idletasks |
|---|
| 2295 | $expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f] |
|---|
| 2296 | $expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2] |
|---|
| 2297 | update idletasks |
|---|
| 2298 | # enable traces on entryvar now |
|---|
| 2299 | set entrycmd(trace) 1 |
|---|
| 2300 | } |
|---|
| 2301 | |
|---|
| 2302 | #----------------------------------------------------------------------- |
|---|
| 2303 | # display the profile page |
|---|
| 2304 | #----------------------------------------------------------------------- |
|---|
| 2305 | proc DisplayProfile {} { |
|---|
| 2306 | global expgui entrycmd entryvar entrybox expmap |
|---|
| 2307 | |
|---|
| 2308 | # trap if more than one histogram is selected unless global mode |
|---|
| 2309 | if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} { |
|---|
| 2310 | set expgui(curhist) [lindex $expgui(curhist) 0] |
|---|
| 2311 | } |
|---|
| 2312 | # display the selected histograms |
|---|
| 2313 | $expgui(profFrame).hs.lbox selection clear 0 end |
|---|
| 2314 | foreach h $expgui(curhist) { |
|---|
| 2315 | $expgui(profFrame).hs.lbox selection set $h |
|---|
| 2316 | } |
|---|
| 2317 | |
|---|
| 2318 | # destroy the contents of the frame |
|---|
| 2319 | eval destroy [winfo children $expgui(ProfileBox).f] |
|---|
| 2320 | # since the next steps can take a while, do a screen update |
|---|
| 2321 | update idletasks |
|---|
| 2322 | |
|---|
| 2323 | if {$expgui(globalmode) == 0} { |
|---|
| 2324 | # must have at least one histogram selected here |
|---|
| 2325 | if {[llength $expgui(curhist)] == 0} return |
|---|
| 2326 | # disable traces on entryvar for right now |
|---|
| 2327 | set entrycmd(trace) 0 |
|---|
| 2328 | set hist [lindex $expmap(powderlist) $expgui(curhist)] |
|---|
| 2329 | # no defined histograms? |
|---|
| 2330 | if {$hist == ""} return |
|---|
| 2331 | # Create one frame for each Phase. |
|---|
| 2332 | set ind -1 |
|---|
| 2333 | set htype [string range $expmap(htype_$hist) 2 2] |
|---|
| 2334 | foreach i $expmap(phaselist_$hist) { |
|---|
| 2335 | incr ind |
|---|
| 2336 | # Label Heading for each phase. |
|---|
| 2337 | set ptype [string trim [hapinfo $hist $i proftype]] |
|---|
| 2338 | if {$expgui(haveBW)} { |
|---|
| 2339 | grid [TitleFrame $expgui(ProfileBox).f.$i \ |
|---|
| 2340 | -text "Hist $hist -- Phase $i (type $ptype)" \ |
|---|
| 2341 | -relief groove -bd 2] \ |
|---|
| 2342 | -column 0 -row $ind -sticky ew |
|---|
| 2343 | set ProfileFrame [$expgui(ProfileBox).f.$i getframe] |
|---|
| 2344 | grid [frame $ProfileFrame.1] \ |
|---|
| 2345 | -column 0 -row 0 -columnspan 10 |
|---|
| 2346 | pack [label $ProfileFrame.1.l \ |
|---|
| 2347 | -text Damping]\ |
|---|
| 2348 | -side left |
|---|
| 2349 | } else { |
|---|
| 2350 | grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \ |
|---|
| 2351 | -column 0 -row $ind -sticky ew |
|---|
| 2352 | set ProfileFrame $expgui(ProfileBox).f.$i |
|---|
| 2353 | grid [frame $ProfileFrame.1] \ |
|---|
| 2354 | -column 0 -row 0 -columnspan 10 -sticky ew |
|---|
| 2355 | pack [label $ProfileFrame.1.l \ |
|---|
| 2356 | -text "Phase $i (type $ptype) Damping"]\ |
|---|
| 2357 | -side left |
|---|
| 2358 | } |
|---|
| 2359 | tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \ |
|---|
| 2360 | 0 1 2 3 4 5 6 7 8 9 |
|---|
| 2361 | set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp" |
|---|
| 2362 | set entryvar(pdamp_$i) [hapinfo $hist $i pdamp] |
|---|
| 2363 | pack $ProfileFrame.1.tkOptDamp -side left |
|---|
| 2364 | pack [label $ProfileFrame.1.l1 \ |
|---|
| 2365 | -text " Peak cutoff"]\ |
|---|
| 2366 | -side left |
|---|
| 2367 | pack [entry $ProfileFrame.1.e1 \ |
|---|
| 2368 | -width 10 -textvariable entryvar(pcut_$i)]\ |
|---|
| 2369 | -side left |
|---|
| 2370 | set entrybox(pcut_$i) $ProfileFrame.1.e1 |
|---|
| 2371 | set entrycmd(pcut_$i) "hapinfo $hist $i pcut" |
|---|
| 2372 | set entryvar(pcut_$i) [hapinfo $hist $i pcut] |
|---|
| 2373 | |
|---|
| 2374 | pack [button $ProfileFrame.1.b1 \ |
|---|
| 2375 | -text "Change Type" \ |
|---|
| 2376 | -command "ChangeProfileType $hist $i"]\ |
|---|
| 2377 | -side left |
|---|
| 2378 | |
|---|
| 2379 | set col -1 |
|---|
| 2380 | set row 1 |
|---|
| 2381 | set nterms [hapinfo $hist $i profterms] |
|---|
| 2382 | set lbls "dummy [GetProfileTerms $i $hist $ptype]" |
|---|
| 2383 | for { set num 1 } { $num <= $nterms } { incr num } { |
|---|
| 2384 | set term {} |
|---|
| 2385 | catch {set term [lindex $lbls $num]} |
|---|
| 2386 | if {$term == ""} {set term $num} |
|---|
| 2387 | incr col |
|---|
| 2388 | grid [label $ProfileFrame.l${num}_${i} -text "$term"] \ |
|---|
| 2389 | -row $row -column $col |
|---|
| 2390 | incr col |
|---|
| 2391 | grid [checkbutton $ProfileFrame.ref${num}_${i} \ |
|---|
| 2392 | -variable entryvar(pref${num}_$i)] -row $row -column $col |
|---|
| 2393 | set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num" |
|---|
| 2394 | set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num] |
|---|
| 2395 | incr col |
|---|
| 2396 | grid [entry $ProfileFrame.ent${num}_${i} \ |
|---|
| 2397 | -textvariable entryvar(pterm${num}_$i)\ |
|---|
| 2398 | -width 12] -row $row -column $col |
|---|
| 2399 | set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i} |
|---|
| 2400 | set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num" |
|---|
| 2401 | set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num] |
|---|
| 2402 | if {$col > 6} {set col -1; incr row} |
|---|
| 2403 | } |
|---|
| 2404 | } |
|---|
| 2405 | grid columnconfigure $expgui(ProfileBox).f 0 -weight 1 |
|---|
| 2406 | } else { |
|---|
| 2407 | # get histogram list |
|---|
| 2408 | set histlist {} |
|---|
| 2409 | foreach item $expgui(curhist) { |
|---|
| 2410 | lappend histlist [lindex $expmap(powderlist) $item] |
|---|
| 2411 | } |
|---|
| 2412 | # must have at least one histogram selected here |
|---|
| 2413 | if {[llength $histlist] == 0} return |
|---|
| 2414 | # disable traces on entryvar for right now |
|---|
| 2415 | set entrycmd(trace) 0 |
|---|
| 2416 | # loop through histograms & phases, set up an array by phase & profile type |
|---|
| 2417 | catch {unset prtyparray histarray phasearray} |
|---|
| 2418 | foreach hist $histlist { |
|---|
| 2419 | foreach phase $expmap(phaselist_$hist) { |
|---|
| 2420 | set prtyp [string trim [hapinfo $hist $phase proftype]] |
|---|
| 2421 | set key ${prtyp}_$phase |
|---|
| 2422 | lappend prtyparray($key) $hist |
|---|
| 2423 | lappend histarray($key) $hist |
|---|
| 2424 | lappend phasearray($key) $phase |
|---|
| 2425 | } |
|---|
| 2426 | } |
|---|
| 2427 | |
|---|
| 2428 | set ptype "" |
|---|
| 2429 | set i -1 |
|---|
| 2430 | # loop over all combined phases and profile types, sorted 1st by profile number |
|---|
| 2431 | foreach key [lsort [array names prtyparray]] { |
|---|
| 2432 | # split key |
|---|
| 2433 | scan $key %d_%d prftyp p |
|---|
| 2434 | |
|---|
| 2435 | if {$ptype != $prftyp || !$expgui(globalphasemode)} { |
|---|
| 2436 | set ptype $prftyp |
|---|
| 2437 | set curhistlist $histarray($key) |
|---|
| 2438 | set curphaslist $phasearray($key) |
|---|
| 2439 | |
|---|
| 2440 | set hist1 [lindex $curhistlist 0] |
|---|
| 2441 | set phase1 [lindex $curphaslist 0] |
|---|
| 2442 | set nterms [hapinfo $hist1 $phase1 profterms] |
|---|
| 2443 | set htype [string range $expmap(htype_$hist1) 2 2] |
|---|
| 2444 | set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]" |
|---|
| 2445 | # Create a frame for this type |
|---|
| 2446 | incr i |
|---|
| 2447 | set boxtitle "Phase $p, hist [CompressList $histarray($key)]" |
|---|
| 2448 | if {$expgui(haveBW)} { |
|---|
| 2449 | grid [TitleFrame $expgui(ProfileBox).f.$i \ |
|---|
| 2450 | -text "(type $ptype)" \ |
|---|
| 2451 | -relief groove -bd 2] \ |
|---|
| 2452 | -column 0 -row $i -sticky ew |
|---|
| 2453 | set ProfileFrame [$expgui(ProfileBox).f.$i getframe] |
|---|
| 2454 | grid [frame $ProfileFrame.0] \ |
|---|
| 2455 | -column 0 -row 0 -columnspan 20 -sticky ew |
|---|
| 2456 | } else { |
|---|
| 2457 | grid [frame $expgui(ProfileBox).f.$i \ |
|---|
| 2458 | -relief groove -bd 4] \ |
|---|
| 2459 | -column 0 -row $i -sticky ew |
|---|
| 2460 | set ProfileFrame $expgui(ProfileBox).f.$i |
|---|
| 2461 | grid [frame $ProfileFrame.0] \ |
|---|
| 2462 | -column 0 -row 0 -columnspan 20 -sticky ew |
|---|
| 2463 | grid [label $ProfileFrame.0.0 \ |
|---|
| 2464 | -text "Profile Type $ptype "] -row 0 -column 0 |
|---|
| 2465 | } |
|---|
| 2466 | grid [label $ProfileFrame.0.1 \ |
|---|
| 2467 | -anchor w] -row 0 -column 1 |
|---|
| 2468 | grid [frame $ProfileFrame.1] \ |
|---|
| 2469 | -column 0 -row 1 -columnspan 20 -sticky ew |
|---|
| 2470 | grid [label $ProfileFrame.1.2 \ |
|---|
| 2471 | -text "Damping"] -row 0 -column 2 |
|---|
| 2472 | tk_optionMenu $ProfileFrame.1.tkOptDamp \ |
|---|
| 2473 | entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 2474 | grid $ProfileFrame.1.tkOptDamp -row 0 -column 3 |
|---|
| 2475 | grid [button $ProfileFrame.1.edit \ |
|---|
| 2476 | -text "Global Edit"] -row 0 -column 4 -sticky w |
|---|
| 2477 | set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp] |
|---|
| 2478 | grid [button $ProfileFrame.1.b1 -text "Change Type"] \ |
|---|
| 2479 | -row 0 -column 5 -sticky w |
|---|
| 2480 | set col -1 |
|---|
| 2481 | set row 2 |
|---|
| 2482 | for { set num 1 } { $num <= $nterms } { incr num } { |
|---|
| 2483 | set term {} |
|---|
| 2484 | catch {set term [lindex $lbls $num]} |
|---|
| 2485 | if {$term == ""} {set term $num} |
|---|
| 2486 | incr col |
|---|
| 2487 | grid [label $ProfileFrame.l${num}_${i} \ |
|---|
| 2488 | -text "$term"] -row $row -column $col |
|---|
| 2489 | incr col |
|---|
| 2490 | grid [checkbutton $ProfileFrame.ref${num}_${i} \ |
|---|
| 2491 | -variable entryvar(pref${num}_$i)] \ |
|---|
| 2492 | -row $row -column $col |
|---|
| 2493 | set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num] |
|---|
| 2494 | if {$col > 10} {set col -1; incr row} |
|---|
| 2495 | } |
|---|
| 2496 | grid columnconfigure $expgui(ProfileBox).f 0 -weight 1 |
|---|
| 2497 | } else { |
|---|
| 2498 | # add to the current entry |
|---|
| 2499 | eval lappend curhistlist $histarray($key) |
|---|
| 2500 | eval lappend curphaslist $phasearray($key) |
|---|
| 2501 | append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]" |
|---|
| 2502 | } |
|---|
| 2503 | $ProfileFrame.0.1 config -text $boxtitle |
|---|
| 2504 | $ProfileFrame.1.edit config -command "\ |
|---|
| 2505 | EditProfile \"\n$boxtitle\" \ |
|---|
| 2506 | [list $curhistlist] \ |
|---|
| 2507 | [list $curphaslist]" |
|---|
| 2508 | $ProfileFrame.1.b1 config -command "ChangeProfileType \ |
|---|
| 2509 | [list $curhistlist] [list $curphaslist]" |
|---|
| 2510 | set entrycmd(pdamp_$i) "hapinfo \ |
|---|
| 2511 | [list $curhistlist] \ |
|---|
| 2512 | [list $curphaslist] pdamp" |
|---|
| 2513 | for { set num 1 } { $num <= $nterms } { incr num } { |
|---|
| 2514 | set entrycmd(pref${num}_$i) "hapinfo \ |
|---|
| 2515 | [list $curhistlist] \ |
|---|
| 2516 | [list $curphaslist] pref$num" |
|---|
| 2517 | } |
|---|
| 2518 | } |
|---|
| 2519 | } |
|---|
| 2520 | |
|---|
| 2521 | # resize the scroll window to match the actual |
|---|
| 2522 | update idletasks |
|---|
| 2523 | $expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f] |
|---|
| 2524 | $expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2] |
|---|
| 2525 | update idletasks |
|---|
| 2526 | ResizeNotebook |
|---|
| 2527 | # enable traces on entryvar now |
|---|
| 2528 | set entrycmd(trace) 1 |
|---|
| 2529 | } |
|---|
| 2530 | |
|---|
| 2531 | # process the bit settings in the print options |
|---|
| 2532 | # bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit |
|---|
| 2533 | proc printsetting {bitnum "action get" "value {}"} { |
|---|
| 2534 | global entryvar expgui |
|---|
| 2535 | if {$action == "get"} { |
|---|
| 2536 | return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0] |
|---|
| 2537 | } elseif $value { |
|---|
| 2538 | set newval [expr ([expinfo print] | int(pow(2,$bitnum)))] |
|---|
| 2539 | } else { |
|---|
| 2540 | set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))] |
|---|
| 2541 | } |
|---|
| 2542 | expinfo print set $newval |
|---|
| 2543 | set expgui(printopt) "Print Options ([expinfo print])" |
|---|
| 2544 | } |
|---|
| 2545 | |
|---|
| 2546 | # need to respond to mouse presses -- control variable associated with extract Fobs |
|---|
| 2547 | # and set the LeBail extraction flags |
|---|
| 2548 | proc SetupExtractHist {} { |
|---|
| 2549 | global expgui entrycmd entryvar expmap |
|---|
| 2550 | |
|---|
| 2551 | # display the selected histograms |
|---|
| 2552 | $expgui(lsFrame).hs.lbox selection clear 0 end |
|---|
| 2553 | foreach h $expgui(curhist) { |
|---|
| 2554 | $expgui(lsFrame).hs.lbox selection set $h |
|---|
| 2555 | } |
|---|
| 2556 | |
|---|
| 2557 | # get histogram list |
|---|
| 2558 | set histlist {} |
|---|
| 2559 | foreach item $expgui(curhist) { |
|---|
| 2560 | set hist [lindex $expmap(powderlist) $item] |
|---|
| 2561 | if {$hist != ""} {lappend histlist $hist} |
|---|
| 2562 | } |
|---|
| 2563 | set entrycmd(fobsextract) "histinfo [list $histlist] foextract" |
|---|
| 2564 | if {[llength $histlist] == 0 || [string trim $histlist] == ""} { |
|---|
| 2565 | set entrycmd(LBdamp) "" |
|---|
| 2566 | foreach phase {1 2 3 4 5 6 7 8 9} { |
|---|
| 2567 | $expgui(FobsExtractFrame).l$phase config -fg grey |
|---|
| 2568 | set expgui(Fextract$phase) {} |
|---|
| 2569 | foreach item $expgui(ExtractSettingsRadiobuttons) { |
|---|
| 2570 | ${item}$phase config -state disabled -bd 1 |
|---|
| 2571 | } |
|---|
| 2572 | } |
|---|
| 2573 | } elseif {[llength $histlist] == 1} { |
|---|
| 2574 | # disable traces on entryvar |
|---|
| 2575 | set entrycmd(trace) 0 |
|---|
| 2576 | set entryvar(fobsextract) [histinfo $histlist foextract] |
|---|
| 2577 | set entrycmd(LBdamp) "histinfo $histlist LBdamp" |
|---|
| 2578 | set entryvar(LBdamp) [histinfo $histlist LBdamp] |
|---|
| 2579 | foreach phase {1 2 3 4 5 6 7 8 9} { |
|---|
| 2580 | # is the phase present? |
|---|
| 2581 | if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} { |
|---|
| 2582 | $expgui(FobsExtractFrame).l$phase config -fg grey |
|---|
| 2583 | set expgui(Fextract$phase) {} |
|---|
| 2584 | foreach item $expgui(ExtractSettingsRadiobuttons) { |
|---|
| 2585 | ${item}$phase config -state disabled -bd 1 |
|---|
| 2586 | } |
|---|
| 2587 | } else { |
|---|
| 2588 | $expgui(FobsExtractFrame).l$phase config -fg black |
|---|
| 2589 | foreach item $expgui(ExtractSettingsRadiobuttons) { |
|---|
| 2590 | ${item}$phase config -state normal -bd 2 |
|---|
| 2591 | } |
|---|
| 2592 | set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth] |
|---|
| 2593 | } |
|---|
| 2594 | } |
|---|
| 2595 | } elseif {[llength $histlist] > 1} { |
|---|
| 2596 | # disable traces on entryvar |
|---|
| 2597 | set entrycmd(LBdamp) "histinfo [list $histlist] LBdamp" |
|---|
| 2598 | set entryvar(LBdamp) [histinfo [lindex $histlist 0] LBdamp] |
|---|
| 2599 | set entrycmd(trace) 0 |
|---|
| 2600 | # multiple histograms need phases in any histogram |
|---|
| 2601 | foreach phase {1 2 3 4 5 6 7 8 9} { |
|---|
| 2602 | set gotphase($phase) 0 |
|---|
| 2603 | } |
|---|
| 2604 | foreach hist $histlist { |
|---|
| 2605 | foreach phase $expmap(phaselist_$hist) { |
|---|
| 2606 | set gotphase($phase) 1 |
|---|
| 2607 | } |
|---|
| 2608 | } |
|---|
| 2609 | foreach phase {1 2 3 4 5 6 7 8 9} { |
|---|
| 2610 | set expgui(Fextract$phase) {} |
|---|
| 2611 | if $gotphase($phase) { |
|---|
| 2612 | $expgui(FobsExtractFrame).l$phase config -fg black |
|---|
| 2613 | foreach item $expgui(ExtractSettingsRadiobuttons) { |
|---|
| 2614 | ${item}$phase config -state normal -bd 2 |
|---|
| 2615 | } |
|---|
| 2616 | } else { |
|---|
| 2617 | $expgui(FobsExtractFrame).l$phase config -fg grey |
|---|
| 2618 | foreach item $expgui(ExtractSettingsRadiobuttons) { |
|---|
| 2619 | ${item}$phase config -state disabled -bd 1 |
|---|
| 2620 | } |
|---|
| 2621 | } |
|---|
| 2622 | } |
|---|
| 2623 | } |
|---|
| 2624 | # reenable traces |
|---|
| 2625 | set entrycmd(trace) 1 |
|---|
| 2626 | } |
|---|
| 2627 | # respond to a change in the fobs extraction method for a phase |
|---|
| 2628 | # force the main extraction flag on, if fobs extraction is selected for any phase |
|---|
| 2629 | proc HistExtractSet {phase} { |
|---|
| 2630 | global expgui entryvar expmap |
|---|
| 2631 | foreach item $expgui(curhist) { |
|---|
| 2632 | lappend histlist [lindex $expmap(powderlist) $item] |
|---|
| 2633 | } |
|---|
| 2634 | hapinfo $histlist $phase extmeth set $expgui(Fextract$phase) |
|---|
| 2635 | incr expgui(changed) |
|---|
| 2636 | if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1} |
|---|
| 2637 | } |
|---|
| 2638 | #---------------------------- Global Edit Functions ------------------------ |
|---|
| 2639 | proc editbackground {} { |
|---|
| 2640 | global expgui expmap entrycmd |
|---|
| 2641 | set histlist {} |
|---|
| 2642 | foreach n $expgui(curhist) { |
|---|
| 2643 | lappend histlist [lindex $expmap(powderlist) $n] |
|---|
| 2644 | } |
|---|
| 2645 | if {[llength $histlist] == 0} return |
|---|
| 2646 | |
|---|
| 2647 | set w .back |
|---|
| 2648 | catch {destroy $w} |
|---|
| 2649 | toplevel $w -bg beige |
|---|
| 2650 | if {$expgui(globalmode) != 0} { |
|---|
| 2651 | wm title $w "Global Edit Background" |
|---|
| 2652 | } else { |
|---|
| 2653 | wm title $w "Edit Background" |
|---|
| 2654 | } |
|---|
| 2655 | |
|---|
| 2656 | pack [frame $w.0 -bd 6 -relief groove -bg beige \ |
|---|
| 2657 | ] -side top -expand yes -fill both |
|---|
| 2658 | if {[llength $histlist] > 1} { |
|---|
| 2659 | grid [label $w.0.a \ |
|---|
| 2660 | -text "Setting background terms for histograms [CompressList $histlist]" \ |
|---|
| 2661 | -bg beige] -row 0 -column 0 -columnspan 10 |
|---|
| 2662 | } else { |
|---|
| 2663 | grid [label $w.0.a \ |
|---|
| 2664 | -text "Setting background terms for histogram $histlist" \ |
|---|
| 2665 | -bg beige] -row 0 -column 0 -columnspan 4 |
|---|
| 2666 | grid [button $w.0.bkg -text "Fit Background\nGraphically" \ |
|---|
| 2667 | -command "QuitEditBackground $w; bkgedit $histlist"] \ |
|---|
| 2668 | -row 0 -column 4 -rowspan 2 |
|---|
| 2669 | grid columnconfig $w.0 0 -weight 1 |
|---|
| 2670 | grid columnconfig $w.0 4 -weight 1 |
|---|
| 2671 | } |
|---|
| 2672 | set hist [lindex $histlist 0] |
|---|
| 2673 | grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0 -sticky e |
|---|
| 2674 | |
|---|
| 2675 | # disable traces on expgui(backtype) & expgui(backterms) now |
|---|
| 2676 | set entrycmd(trace) 0 |
|---|
| 2677 | |
|---|
| 2678 | # number of terms |
|---|
| 2679 | set expgui(backtype) [histinfo $hist backtype] |
|---|
| 2680 | set expgui(orig_backtype) $expgui(backtype) |
|---|
| 2681 | set expgui(prev_backtype) $expgui(backtype) |
|---|
| 2682 | set typemenu [tk_optionMenu $w.0.type expgui(backtype) null] |
|---|
| 2683 | $typemenu delete 0 end |
|---|
| 2684 | foreach item { |
|---|
| 2685 | "1 - Shifted Chebyschev" |
|---|
| 2686 | "2 - Cosine Fourier series" |
|---|
| 2687 | "4 - Power series in Q**2n/n!" |
|---|
| 2688 | "5 - Power series in n!/Q**2n" |
|---|
| 2689 | "6 - Power series in Q**2n/n! and n!/Q**2n" |
|---|
| 2690 | "7 - Linear interpolation function" |
|---|
| 2691 | "8 - Reciprocal interpolation function" |
|---|
| 2692 | } { |
|---|
| 2693 | set val [lindex $item 0] |
|---|
| 2694 | $typemenu insert end radiobutton -variable expgui(backtype) \ |
|---|
| 2695 | -label $item -value $val |
|---|
| 2696 | } |
|---|
| 2697 | # removed |
|---|
| 2698 | # "3 - Radial distribution peaks" |
|---|
| 2699 | |
|---|
| 2700 | grid $w.0.type -row 1 -column 1 |
|---|
| 2701 | grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2 |
|---|
| 2702 | |
|---|
| 2703 | # function type |
|---|
| 2704 | set expgui(backterms) [histinfo $hist backterms] |
|---|
| 2705 | set expgui(orig_backterms) $expgui(backterms) |
|---|
| 2706 | set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i} |
|---|
| 2707 | eval tk_optionMenu $w.0.terms expgui(backterms) $list |
|---|
| 2708 | grid $w.0.terms -row 1 -column 3 |
|---|
| 2709 | # enable traces on expgui(backtype) & expgui(backterms) now |
|---|
| 2710 | set entrycmd(trace) 1 |
|---|
| 2711 | |
|---|
| 2712 | #set background terms |
|---|
| 2713 | for {set num 1 } { $num <= 36 } { incr num } { |
|---|
| 2714 | set var "bterm$num" |
|---|
| 2715 | set expgui($var) {} |
|---|
| 2716 | set expgui(orig_$var) {} |
|---|
| 2717 | } |
|---|
| 2718 | if {[llength $histlist] == 1} { |
|---|
| 2719 | for {set num 1 } { $num <= $expgui(backterms) } { incr num } { |
|---|
| 2720 | set var "bterm$num" |
|---|
| 2721 | set expgui($var) [histinfo $histlist $var] |
|---|
| 2722 | set expgui(orig_$var) $expgui($var) |
|---|
| 2723 | } |
|---|
| 2724 | } |
|---|
| 2725 | |
|---|
| 2726 | pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \ |
|---|
| 2727 | -expand yes -fill both |
|---|
| 2728 | ShowBackTerms $w.1 |
|---|
| 2729 | |
|---|
| 2730 | set expgui(temp) {} |
|---|
| 2731 | pack [frame $w.b -bg beige] -fill x -expand yes -side top |
|---|
| 2732 | grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1 |
|---|
| 2733 | grid [button $w.b.3 -text Quit \ |
|---|
| 2734 | -command "QuitEditBackground $w"] -row 0 -column 2 |
|---|
| 2735 | grid [button $w.b.help -text Help -bg yellow \ |
|---|
| 2736 | -command "MakeWWWHelp expgui3.html EditBackground"] \ |
|---|
| 2737 | -row 0 -column 4 |
|---|
| 2738 | grid columnconfig $w.b 0 -weight 1 |
|---|
| 2739 | grid columnconfig $w.b 3 -weight 1 |
|---|
| 2740 | bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground" |
|---|
| 2741 | bind $w <Return> "destroy $w" |
|---|
| 2742 | |
|---|
| 2743 | # force the window to stay on top |
|---|
| 2744 | putontop $w |
|---|
| 2745 | |
|---|
| 2746 | focus $w.b.2 |
|---|
| 2747 | tkwait window $w |
|---|
| 2748 | afterputontop |
|---|
| 2749 | |
|---|
| 2750 | if {$expgui(temp) != ""} return |
|---|
| 2751 | |
|---|
| 2752 | if {$expgui(orig_backtype) != $expgui(backtype)} { |
|---|
| 2753 | histinfo $histlist backtype set $expgui(backtype) |
|---|
| 2754 | incr expgui(changed) |
|---|
| 2755 | } |
|---|
| 2756 | if {$expgui(orig_backterms) != $expgui(backterms)} { |
|---|
| 2757 | histinfo $histlist backterms set $expgui(backterms) |
|---|
| 2758 | incr expgui(changed) |
|---|
| 2759 | } |
|---|
| 2760 | for {set num 1 } { $num <= $expgui(backterms) } { incr num } { |
|---|
| 2761 | set var "bterm$num" |
|---|
| 2762 | if {$expgui(orig_$var) != $expgui($var)} { |
|---|
| 2763 | histinfo $histlist $var set $expgui($var) |
|---|
| 2764 | incr expgui(changed) |
|---|
| 2765 | } |
|---|
| 2766 | } |
|---|
| 2767 | |
|---|
| 2768 | if {$expgui(globalmode) == 0} { |
|---|
| 2769 | set expgui(backtypelbl) "Function type [histinfo $hist backtype]" |
|---|
| 2770 | set expgui(backtermlbl) "([histinfo $hist backterms] terms)" |
|---|
| 2771 | } |
|---|
| 2772 | } |
|---|
| 2773 | |
|---|
| 2774 | trace variable expgui(backterms) w ChangeBackTerms |
|---|
| 2775 | proc ChangeBackTerms {a b c} { |
|---|
| 2776 | global entrycmd expgui |
|---|
| 2777 | if !$entrycmd(trace) return |
|---|
| 2778 | ShowBackTerms .back.1 |
|---|
| 2779 | } |
|---|
| 2780 | |
|---|
| 2781 | trace variable expgui(backtype) w ChangeBackType |
|---|
| 2782 | # reset the terms to 1, 0, 0... when the number of terms increase |
|---|
| 2783 | proc ChangeBackType {a b c} { |
|---|
| 2784 | global entrycmd expgui |
|---|
| 2785 | if !$entrycmd(trace) return |
|---|
| 2786 | if {$expgui(prev_backtype) == $expgui(backtype)} return |
|---|
| 2787 | set expgui(prev_backtype) $expgui(backtype) |
|---|
| 2788 | for {set num 1 } { $num <= $expgui(backterms) } { incr num } { |
|---|
| 2789 | set var "bterm$num" |
|---|
| 2790 | if {$num == 1} { |
|---|
| 2791 | set expgui($var) 1.0 |
|---|
| 2792 | } else { |
|---|
| 2793 | set expgui($var) 0.0 |
|---|
| 2794 | } |
|---|
| 2795 | } |
|---|
| 2796 | } |
|---|
| 2797 | |
|---|
| 2798 | proc ShowBackTerms {w } { |
|---|
| 2799 | global expgui expmap |
|---|
| 2800 | # destroy the contents of the frame |
|---|
| 2801 | eval destroy [winfo children $w] |
|---|
| 2802 | set histlist {} |
|---|
| 2803 | foreach n $expgui(curhist) { |
|---|
| 2804 | lappend histlist [lindex $expmap(powderlist) $n] |
|---|
| 2805 | } |
|---|
| 2806 | set widgetsPerRow 4 |
|---|
| 2807 | for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } { |
|---|
| 2808 | for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } { |
|---|
| 2809 | set var "bterm$num" |
|---|
| 2810 | grid [label $w.l$num -text $num -bg beige] \ |
|---|
| 2811 | -row $rows -column $cols -sticky nes |
|---|
| 2812 | incr cols |
|---|
| 2813 | grid [entry $w.e$num -width 15 -textvariable expgui($var) \ |
|---|
| 2814 | ] -row $rows -column $cols -sticky news |
|---|
| 2815 | incr cols |
|---|
| 2816 | } |
|---|
| 2817 | } |
|---|
| 2818 | } |
|---|
| 2819 | |
|---|
| 2820 | proc QuitEditBackground {w} { |
|---|
| 2821 | global expgui |
|---|
| 2822 | # lets find out if anything changed |
|---|
| 2823 | set changed 0 |
|---|
| 2824 | if {$expgui(orig_backtype) != $expgui(backtype)} { |
|---|
| 2825 | set changed 1 |
|---|
| 2826 | } |
|---|
| 2827 | if {$expgui(orig_backterms) != $expgui(backterms)} { |
|---|
| 2828 | set changed 1 |
|---|
| 2829 | } |
|---|
| 2830 | for {set num 1 } { $num <= $expgui(backterms) } { incr num } { |
|---|
| 2831 | set var "bterm$num" |
|---|
| 2832 | if {$expgui(orig_$var) != $expgui($var)} { |
|---|
| 2833 | set changed 1 |
|---|
| 2834 | break |
|---|
| 2835 | } |
|---|
| 2836 | } |
|---|
| 2837 | if $changed { |
|---|
| 2838 | set decision [tk_dialog .changes "Abandon Changes" \ |
|---|
| 2839 | "You have made changes to the background. Ok to abandon changes?" \ |
|---|
| 2840 | warning 0 Abandon Keep] |
|---|
| 2841 | if !$decision { |
|---|
| 2842 | set expgui(temp) "Quit" |
|---|
| 2843 | destroy $w |
|---|
| 2844 | } |
|---|
| 2845 | } else { |
|---|
| 2846 | set expgui(temp) "Quit" |
|---|
| 2847 | destroy $w |
|---|
| 2848 | } |
|---|
| 2849 | } |
|---|
| 2850 | |
|---|
| 2851 | # this probably needs work |
|---|
| 2852 | proc editglobalparm {cmd variable title "histlist {}" "phase {}"} { |
|---|
| 2853 | global expgui expmap |
|---|
| 2854 | set w .global |
|---|
| 2855 | catch {destroy $w} |
|---|
| 2856 | toplevel $w -bg beige |
|---|
| 2857 | wm title $w "Edit Global Parameter" |
|---|
| 2858 | set expgui(temp) {} |
|---|
| 2859 | if {[llength $histlist] == 0} { |
|---|
| 2860 | set hist {} |
|---|
| 2861 | foreach n $expgui(curhist) { |
|---|
| 2862 | lappend hist [lindex $expmap(powderlist) $n] |
|---|
| 2863 | } |
|---|
| 2864 | } else { |
|---|
| 2865 | set hist $histlist |
|---|
| 2866 | } |
|---|
| 2867 | pack [frame $w.0 -bd 6 -relief groove -bg beige] \ |
|---|
| 2868 | -side top -expand yes -fill both |
|---|
| 2869 | grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\ |
|---|
| 2870 | -bg beige] \ |
|---|
| 2871 | -row 0 -column 0 -columnspan 10 |
|---|
| 2872 | grid [entry $w.0.b -textvariable expgui(temp)] \ |
|---|
| 2873 | -row 1 -column 0 |
|---|
| 2874 | |
|---|
| 2875 | |
|---|
| 2876 | pack [frame $w.b -bg beige] -fill x -expand yes -side top |
|---|
| 2877 | pack [button $w.b.2 -text Set -command "destroy $w"] -side left |
|---|
| 2878 | pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left |
|---|
| 2879 | pack [button $w.b.help -text Help -bg yellow \ |
|---|
| 2880 | -command "MakeWWWHelp expgui3.html EditParm"] -side right |
|---|
| 2881 | bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm" |
|---|
| 2882 | bind $w <Return> "destroy $w" |
|---|
| 2883 | |
|---|
| 2884 | # force the window to stay on top |
|---|
| 2885 | putontop $w |
|---|
| 2886 | focus $w.b.2 |
|---|
| 2887 | tkwait window $w |
|---|
| 2888 | afterputontop |
|---|
| 2889 | |
|---|
| 2890 | if {$expgui(temp) != ""} { |
|---|
| 2891 | foreach h $hist { |
|---|
| 2892 | if {$cmd == "histinfo"} { |
|---|
| 2893 | histinfo $h $variable set $expgui(temp) |
|---|
| 2894 | incr expgui(changed) |
|---|
| 2895 | if $expgui(debug) { |
|---|
| 2896 | puts "histinfo $h $variable set $expgui(temp)" |
|---|
| 2897 | } |
|---|
| 2898 | } elseif {$cmd == "hapinfo"} { |
|---|
| 2899 | hapinfo $h $phase $variable set $expgui(temp) |
|---|
| 2900 | incr expgui(changed) |
|---|
| 2901 | if $expgui(debug) { |
|---|
| 2902 | puts "hapinfo $phase $h $variable set $expgui(temp)" |
|---|
| 2903 | } |
|---|
| 2904 | } else { |
|---|
| 2905 | error "$cmd unimplemented" |
|---|
| 2906 | } |
|---|
| 2907 | } |
|---|
| 2908 | } |
|---|
| 2909 | } |
|---|
| 2910 | |
|---|
| 2911 | proc EditProfile {title histlist phaselist} { |
|---|
| 2912 | global expgui expmap entrycmd |
|---|
| 2913 | set w .back |
|---|
| 2914 | catch {destroy $w} |
|---|
| 2915 | toplevel $w -bg beige |
|---|
| 2916 | wm title $w "Global Edit Profile" |
|---|
| 2917 | set hist [lindex $histlist 0] |
|---|
| 2918 | set phase [lindex $phaselist 0] |
|---|
| 2919 | set ptype [string trim [hapinfo $hist $phase proftype]] |
|---|
| 2920 | set htype [string range $expmap(htype_$hist) 2 2] |
|---|
| 2921 | set nterms [hapinfo $hist $phase profterms] |
|---|
| 2922 | |
|---|
| 2923 | pack [frame $w.0 -bd 6 -relief groove -bg beige \ |
|---|
| 2924 | ] -side top -expand yes -fill both |
|---|
| 2925 | grid [label $w.0.a \ |
|---|
| 2926 | -text "Setting profile terms: $title" \ |
|---|
| 2927 | -bg beige] -row 0 -column 0 -columnspan 10 |
|---|
| 2928 | grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0 |
|---|
| 2929 | grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3 |
|---|
| 2930 | grid [entry $w.0.d -width 10 ] -row 1 -column 4 |
|---|
| 2931 | set entrylist {} |
|---|
| 2932 | lappend entrylist "pcut $w.0.d" |
|---|
| 2933 | |
|---|
| 2934 | set col -1 |
|---|
| 2935 | set row 1 |
|---|
| 2936 | set lbls "dummy [GetProfileTerms $phase $hist $ptype]" |
|---|
| 2937 | pack [frame $w.1 -bd 6 -relief groove -bg beige \ |
|---|
| 2938 | ] -side top -expand yes -fill both |
|---|
| 2939 | for { set num 1 } { $num <= $nterms } { incr num } { |
|---|
| 2940 | set term {} |
|---|
| 2941 | catch {set term [lindex $lbls $num]} |
|---|
| 2942 | if {$term == ""} {set term $num} |
|---|
| 2943 | incr col |
|---|
| 2944 | grid [label $w.1.l${num} -text "$term" -bg beige] \ |
|---|
| 2945 | -row $row -column $col |
|---|
| 2946 | incr col |
|---|
| 2947 | grid [entry $w.1.ent${num} \ |
|---|
| 2948 | -width 14] -row $row -column $col |
|---|
| 2949 | lappend entrylist "pterm$num $w.1.ent${num}" |
|---|
| 2950 | if {$col > 6} {set col -1; incr row} |
|---|
| 2951 | } |
|---|
| 2952 | pack [frame $w.b -bg beige] -fill x -expand yes -side top |
|---|
| 2953 | grid [button $w.b.2 -text Set \ |
|---|
| 2954 | -command "SetEditProfile [list $entrylist] [list $phaselist] \ |
|---|
| 2955 | [list $histlist] $w"] -row 0 -column 1 |
|---|
| 2956 | grid [button $w.b.3 -text Quit \ |
|---|
| 2957 | -command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2 |
|---|
| 2958 | grid [button $w.b.help -text Help -bg yellow \ |
|---|
| 2959 | -command "MakeWWWHelp expgui5.html GlobalEdit"] \ |
|---|
| 2960 | -row 0 -column 4 |
|---|
| 2961 | grid columnconfig $w.b 0 -weight 1 |
|---|
| 2962 | grid columnconfig $w.b 3 -weight 1 |
|---|
| 2963 | bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit" |
|---|
| 2964 | bind $w <Return> "QuitEditProfile $w [list $entrylist]" |
|---|
| 2965 | |
|---|
| 2966 | # force the window to stay on top |
|---|
| 2967 | putontop $w |
|---|
| 2968 | focus $w.b.2 |
|---|
| 2969 | tkwait window $w |
|---|
| 2970 | afterputontop |
|---|
| 2971 | } |
|---|
| 2972 | |
|---|
| 2973 | proc SetEditProfile {entrylist phaselist histlist w} { |
|---|
| 2974 | global expgui |
|---|
| 2975 | foreach item $entrylist { |
|---|
| 2976 | set value [ [lindex $item 1] get ] |
|---|
| 2977 | if {$value != ""} { |
|---|
| 2978 | hapinfo $histlist $phaselist [lindex $item 0] set $value |
|---|
| 2979 | incr expgui(changed) |
|---|
| 2980 | if $expgui(debug) { |
|---|
| 2981 | puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value" |
|---|
| 2982 | } |
|---|
| 2983 | } |
|---|
| 2984 | } |
|---|
| 2985 | destroy $w |
|---|
| 2986 | } |
|---|
| 2987 | |
|---|
| 2988 | proc QuitEditProfile {w entrylist} { |
|---|
| 2989 | global expgui |
|---|
| 2990 | # lets find out if anything changed |
|---|
| 2991 | set changed 0 |
|---|
| 2992 | foreach item $entrylist { |
|---|
| 2993 | if {[ [lindex $item 1] get ] != ""} {set changed 1; break} |
|---|
| 2994 | } |
|---|
| 2995 | if $changed { |
|---|
| 2996 | set decision [tk_dialog .changes "Abandon Changes" \ |
|---|
| 2997 | "You have made changes to the Profile. Ok to abandon changes?" \ |
|---|
| 2998 | warning 0 Abandon Keep] |
|---|
| 2999 | if !$decision {destroy $w} |
|---|
| 3000 | } else { |
|---|
| 3001 | destroy $w |
|---|
| 3002 | } |
|---|
| 3003 | } |
|---|
| 3004 | |
|---|
| 3005 | # this is called to change the absorption correction mode and to |
|---|
| 3006 | # change the absorption correction model. |
|---|
| 3007 | proc editabsorption {} { |
|---|
| 3008 | global expgui expmap |
|---|
| 3009 | set histlist {} |
|---|
| 3010 | foreach n $expgui(curhist) { |
|---|
| 3011 | lappend histlist [lindex $expmap(powderlist) $n] |
|---|
| 3012 | } |
|---|
| 3013 | if {[llength $histlist] == 0} return |
|---|
| 3014 | |
|---|
| 3015 | set w .abs |
|---|
| 3016 | catch {destroy $w} |
|---|
| 3017 | toplevel $w -bg beige |
|---|
| 3018 | if {$expgui(globalmode) != 0} { |
|---|
| 3019 | wm title $w "Global Edit Absorption/Reflectivity" |
|---|
| 3020 | } else { |
|---|
| 3021 | wm title $w "Edit Absorption/Reflectivity" |
|---|
| 3022 | } |
|---|
| 3023 | |
|---|
| 3024 | pack [frame $w.0 -bd 6 -relief groove -bg beige \ |
|---|
| 3025 | ] -side top -expand yes -fill both |
|---|
| 3026 | if {[llength $histlist] > 1} { |
|---|
| 3027 | grid [label $w.0.a \ |
|---|
| 3028 | -text "Changing settings for histograms [CompressList $histlist]" \ |
|---|
| 3029 | -bg beige] -row 0 -column 0 -columnspan 10 |
|---|
| 3030 | } else { |
|---|
| 3031 | grid [label $w.0.a \ |
|---|
| 3032 | -text "Changing settings for histogram $histlist" \ |
|---|
| 3033 | -bg beige] -row 0 -column 0 -columnspan 4 |
|---|
| 3034 | #grid columnconfig $w.0 4 -weight 1 |
|---|
| 3035 | } |
|---|
| 3036 | grid rowconfig $w.0 1 -min 10 |
|---|
| 3037 | set hist [lindex $histlist 0] |
|---|
| 3038 | |
|---|
| 3039 | grid [label $w.0.lb1 -text "Absorption Coefficient(s)" -bg beige] \ |
|---|
| 3040 | -row 2 -column 1 -columnspan 2 |
|---|
| 3041 | grid [label $w.0.lb1a -text "1" -bg beige] -row 3 -column 1 |
|---|
| 3042 | set expgui(abs2box1) $w.0.lb2a |
|---|
| 3043 | grid [label $w.0.lb2a -text "2" -bg beige] -row 3 -column 2 |
|---|
| 3044 | grid [label $w.0.lb3 -text Absorption\nFunction -bg beige] \ |
|---|
| 3045 | -row 2 -column 6 -rowspan 2 -columnspan 2 |
|---|
| 3046 | grid [entry $w.0.ent1 -textvariable expgui(abscor1) -width 15] \ |
|---|
| 3047 | -row 4 -column 1 |
|---|
| 3048 | set expgui(abs2box2) $w.0.ent2 |
|---|
| 3049 | grid [entry $w.0.ent2 -textvariable expgui(abscor2) -width 15] \ |
|---|
| 3050 | -row 4 -column 2 |
|---|
| 3051 | trace vdelete expgui(abstype) w AbsSetoptmsg |
|---|
| 3052 | eval tk_optionMenu $w.0.m1 expgui(abstype) 0 1 2 3 4 |
|---|
| 3053 | trace variable expgui(abstype) w AbsSetoptmsg |
|---|
| 3054 | grid $w.0.m1 -row 4 -column 6 -columnspan 2 |
|---|
| 3055 | grid [label $w.0.lb8 -textvariable expgui(opttxt) -bg beige \ |
|---|
| 3056 | -wrap 300 -justify left] -row 5 -column 1 -sticky ne -columnspan 7 |
|---|
| 3057 | grid rowconfig $w.0 5 -min 100 |
|---|
| 3058 | # set the values, note the trace on abstype |
|---|
| 3059 | foreach var {abscor1 abscor2 abstype} { |
|---|
| 3060 | set expgui($var) [histinfo $hist $var] |
|---|
| 3061 | } |
|---|
| 3062 | |
|---|
| 3063 | pack [frame $w.b -bg beige] -fill x -expand yes -side top |
|---|
| 3064 | grid [button $w.b.2 -text Set -command "AbsSaveEdit $w [list $histlist]"] \ |
|---|
| 3065 | -row 0 -column 1 |
|---|
| 3066 | grid [button $w.b.3 -text Quit \ |
|---|
| 3067 | -command "destroy $w"] -row 0 -column 2 |
|---|
| 3068 | grid [button $w.b.help -text Help -bg yellow \ |
|---|
| 3069 | -command "MakeWWWHelp expgui3.html EditAbsorption"] \ |
|---|
| 3070 | -row 0 -column 4 |
|---|
| 3071 | grid columnconfig $w.b 0 -weight 1 |
|---|
| 3072 | grid columnconfig $w.b 3 -weight 1 |
|---|
| 3073 | bind $w <Key-F1> "MakeWWWHelp expgui3.html EditAbsorption" |
|---|
| 3074 | bind $w <Return> "destroy $w" |
|---|
| 3075 | |
|---|
| 3076 | # force the window to stay on top |
|---|
| 3077 | putontop $w |
|---|
| 3078 | |
|---|
| 3079 | focus $w.b.2 |
|---|
| 3080 | tkwait window $w |
|---|
| 3081 | afterputontop |
|---|
| 3082 | } |
|---|
| 3083 | |
|---|
| 3084 | proc AbsSetoptmsg {args} { |
|---|
| 3085 | global expgui |
|---|
| 3086 | array set opttxt { |
|---|
| 3087 | 0 "Correction for cylindrical samples [Lobanov & Alte da Veiga]. OK for all data types, but not for Bragg-Brentano flat-plate geometry. Set term 1 to mu*R/lambda (TOF: mu*R for lambda=1). For CW x-ray/neutron, do not refine!" |
|---|
| 3088 | 1 "Wavelength-dependent correction for container penetration. Use with TOF & Energy Disp x-ray only." |
|---|
| 3089 | 2 "Surface roughness correction [Pitschke, Hermann & Muttern]. Use with flat-plate reflection geometry (usually Bragg-Brentano) only." |
|---|
| 3090 | 3 "Surface roughness correction, [Suortti]. Use with flat-plate reflection geometry (usually Bragg-Brentano) only." |
|---|
| 3091 | 4 "Flat plate samples in transmission mode. OK for all data types, but not Bragg-Brentano geometry. Term 2 is angle w/r to beam (usually 0). For CW, do not refine." |
|---|
| 3092 | } |
|---|
| 3093 | set expgui(opttxt) "" |
|---|
| 3094 | catch {set expgui(opttxt) [set opttxt($expgui(abstype))]} |
|---|
| 3095 | switch $expgui(abstype) { |
|---|
| 3096 | 0 - |
|---|
| 3097 | 1 { |
|---|
| 3098 | $expgui(abs2box1) config -fg gray |
|---|
| 3099 | $expgui(abs2box2) config -state disabled -fg gray |
|---|
| 3100 | } |
|---|
| 3101 | 2 - |
|---|
| 3102 | 3 - |
|---|
| 3103 | 4 { |
|---|
| 3104 | $expgui(abs2box1) config -fg black |
|---|
| 3105 | $expgui(abs2box2) config -state normal -fg black |
|---|
| 3106 | } |
|---|
| 3107 | default { |
|---|
| 3108 | set expgui(opttxt) "Please select an absorption function" |
|---|
| 3109 | } |
|---|
| 3110 | } |
|---|
| 3111 | } |
|---|
| 3112 | proc AbsSaveEdit {top histlist} { |
|---|
| 3113 | global expgui expmap |
|---|
| 3114 | # sanity check: look at the histogram type |
|---|
| 3115 | set h [lindex $histlist 0] |
|---|
| 3116 | if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag 1} |
|---|
| 3117 | if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag 2} |
|---|
| 3118 | if {[string range $expmap(htype_$h) 1 2] == "XC" && \ |
|---|
| 3119 | [histinfo $h lam2] != 0.0} {set flag 3} |
|---|
| 3120 | if {[string range $expmap(htype_$h) 1 2] == "XC" && \ |
|---|
| 3121 | [histinfo $h lam2] == 0.0} {set flag 4} |
|---|
| 3122 | if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag 5} |
|---|
| 3123 | |
|---|
| 3124 | set msg {} |
|---|
| 3125 | if {$expgui(abstype) == 0 && ($flag == 3 || $flag == 4)} { |
|---|
| 3126 | set msg "Mode 0 is appropriate for cylindrical (Debye-Scherrer) geometry only" |
|---|
| 3127 | } elseif {$expgui(abstype) == 1 && ($flag != 1 && $flag != 5)} { |
|---|
| 3128 | set msg "Mode 1 is appropriate for wavelength-dispersive (TOF/E.D. X-ray) data only" |
|---|
| 3129 | } elseif {($expgui(abstype) == 2 || $expgui(abstype) == 3) \ |
|---|
| 3130 | && $flag != 3 && $flag != 4} { |
|---|
| 3131 | set msg "Mode 1 is appropriate for reflection geometry flat-plate (typically Bragg-Brentano) data only" |
|---|
| 3132 | } elseif {$expgui(abstype) == 4 && $flag <= 3} { |
|---|
| 3133 | set msg "Mode 4 is appropriate for flat-plate samples in transmission" |
|---|
| 3134 | } |
|---|
| 3135 | if {$msg != ""} { |
|---|
| 3136 | set result [\ |
|---|
| 3137 | MyMessageBox -parent $top -title "Sanity check" \ |
|---|
| 3138 | -type okcancel -default cancel \ |
|---|
| 3139 | -icon warning -helplink "expgui3.html AbsorptionSanity" \ |
|---|
| 3140 | -message "$msg -- are you sure you want to do this?"] |
|---|
| 3141 | if {$result == "cancel"} return |
|---|
| 3142 | } |
|---|
| 3143 | |
|---|
| 3144 | # validate abscor1 & abscor2 (if needed) |
|---|
| 3145 | set msg {} |
|---|
| 3146 | if {![validreal expgui(abscor1) 15 8]} { |
|---|
| 3147 | set msg "Term 1 is invalid" |
|---|
| 3148 | } |
|---|
| 3149 | if {$expgui(abstype) > 1} { |
|---|
| 3150 | if {![validreal expgui(abscor2) 15 8]} { |
|---|
| 3151 | if {$msg != ""} {append msg "\n"} |
|---|
| 3152 | append msg "Term 2 is invalid" |
|---|
| 3153 | } |
|---|
| 3154 | } |
|---|
| 3155 | if {$msg != ""} { |
|---|
| 3156 | MyMessageBox -parent $top -title "Entry error" \ |
|---|
| 3157 | -type ok -default ok \ |
|---|
| 3158 | -icon warning -helplink "" \ |
|---|
| 3159 | -message "Invalid data entered. Please correct.\n$msg" |
|---|
| 3160 | return |
|---|
| 3161 | } |
|---|
| 3162 | |
|---|
| 3163 | histinfo $histlist abstype set $expgui(abstype) |
|---|
| 3164 | histinfo $histlist abscor1 set $expgui(abscor1) |
|---|
| 3165 | if {$expgui(abstype) > 1} { |
|---|
| 3166 | histinfo $histlist abscor2 set $expgui(abscor2) |
|---|
| 3167 | } else { |
|---|
| 3168 | histinfo $histlist abscor2 set 0. |
|---|
| 3169 | } |
|---|
| 3170 | # turn off refinement, just in case they didn't read |
|---|
| 3171 | if {($expgui(abstype) == 0 || $expgui(abstype) == 1 || $expgui(abstype) == 4) \ |
|---|
| 3172 | && ($flag != 1 && $flag != 5)} { |
|---|
| 3173 | histinfo $histlist absref set 0 |
|---|
| 3174 | } |
|---|
| 3175 | incr expgui(changed) |
|---|
| 3176 | destroy $top |
|---|
| 3177 | } |
|---|
| 3178 | |
|---|
| 3179 | ############################################################################## |
|---|
| 3180 | ## ############################################# |
|---|
| 3181 | ## END OF THE PROCEDURES SECTION ############################################# |
|---|
| 3182 | ## ############################################# |
|---|
| 3183 | ############################################################################## |
|---|
| 3184 | |
|---|
| 3185 | # <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< |
|---|
| 3186 | # <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<< |
|---|
| 3187 | # <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>> |
|---|
| 3188 | # >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>> |
|---|
| 3189 | # >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> |
|---|
| 3190 | # A frame for menu items at top of display |
|---|
| 3191 | set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40] |
|---|
| 3192 | # Pack the menu frame. |
|---|
| 3193 | pack $expgui(fm) -fill x -side top -anchor n |
|---|
| 3194 | |
|---|
| 3195 | # create a button bar |
|---|
| 3196 | pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n |
|---|
| 3197 | |
|---|
| 3198 | # Creating the notebook and panes |
|---|
| 3199 | |
|---|
| 3200 | # create an array element describing each notebook page (used with BW only) |
|---|
| 3201 | # element 0 -- pane name |
|---|
| 3202 | # 1 -- Label on frame |
|---|
| 3203 | # 2 -- initialization command |
|---|
| 3204 | # 3 -- update command |
|---|
| 3205 | # 4 -- 0/1 Use 1 if pane should be disabled in when all histograms |
|---|
| 3206 | # are selected in global mode, 0 otherwise |
|---|
| 3207 | # 5 -- Web page for pane |
|---|
| 3208 | # 6 -- name anchor on Web page for pane |
|---|
| 3209 | set expgui(notebookpagelist) { |
|---|
| 3210 | {lsFrame "LS Controls" \ |
|---|
| 3211 | "" \ |
|---|
| 3212 | SetupExtractHist \ |
|---|
| 3213 | 0 expgui1.html ""} |
|---|
| 3214 | {phaseFrame Phase \ |
|---|
| 3215 | "" \ |
|---|
| 3216 | {SelectOnePhase $expgui(curPhase)} \ |
|---|
| 3217 | 0 expgui2.html ""} |
|---|
| 3218 | {histFrame Histogram \ |
|---|
| 3219 | MakeHistPane \ |
|---|
| 3220 | DisplayHistogram \ |
|---|
| 3221 | 1 expgui3.html ""} |
|---|
| 3222 | {fracFrame Scaling \ |
|---|
| 3223 | MakeScalingPane \ |
|---|
| 3224 | DisplayFrac \ |
|---|
| 3225 | 0 expgui4.html ""} |
|---|
| 3226 | {profFrame Profile \ |
|---|
| 3227 | MakeProfilePane \ |
|---|
| 3228 | DisplayProfile \ |
|---|
| 3229 | 1 expgui5.html ""} |
|---|
| 3230 | {consFrame Constraints \ |
|---|
| 3231 | "source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \ |
|---|
| 3232 | DisplayConstraintsPane \ |
|---|
| 3233 | 0 expgui6.html ""} |
|---|
| 3234 | {orientFrame "MD Pref Orient" \ |
|---|
| 3235 | MakeOrientPane \ |
|---|
| 3236 | DisplayOrient \ |
|---|
| 3237 | 0 expgui7.html MD} |
|---|
| 3238 | {odfFrame "SH Pref Orient" \ |
|---|
| 3239 | "source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \ |
|---|
| 3240 | DisplayODFPane \ |
|---|
| 3241 | 0 expgui7.html ODF} |
|---|
| 3242 | } |
|---|
| 3243 | |
|---|
| 3244 | if $expgui(haveBW) { |
|---|
| 3245 | pack [NoteBook .n -bd 2] -expand yes -fill both |
|---|
| 3246 | # this should not be needed, but for some reason NoteBook is not |
|---|
| 3247 | # using the optionDB |
|---|
| 3248 | catch {.n configure -font [option get .n font Canvas]} |
|---|
| 3249 | foreach item $expgui(notebookpagelist) { |
|---|
| 3250 | set frm [lindex $item 0] |
|---|
| 3251 | set expgui($frm) [\ |
|---|
| 3252 | .n insert end $frm -text [lindex $item 1] \ |
|---|
| 3253 | -createcmd "set expgui(pagenow) $frm; [lindex $item 2]" \ |
|---|
| 3254 | -raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"] |
|---|
| 3255 | |
|---|
| 3256 | # at this time expgui(frameactionlist) is generated |
|---|
| 3257 | # from expgui(notebookpagelist), but in the future it might |
|---|
| 3258 | # make sense to use expgui(notebookpagelist) directly |
|---|
| 3259 | lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]" |
|---|
| 3260 | |
|---|
| 3261 | # panes to disable in global "all" mode |
|---|
| 3262 | if {[lindex $item 4]} { |
|---|
| 3263 | lappend expgui(GlobalModeAllDisable) \ |
|---|
| 3264 | "$frm \{.n itemconfigure $frm\}" |
|---|
| 3265 | } |
|---|
| 3266 | } |
|---|
| 3267 | } else { |
|---|
| 3268 | Notebook:create .n \ |
|---|
| 3269 | -pages {lsFrame phaseFrame histFrame fracFrame profFrame} |
|---|
| 3270 | pack .n -anchor w -fill both -expand yes |
|---|
| 3271 | foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \ |
|---|
| 3272 | orientFrame} \ |
|---|
| 3273 | page {"LS Controls" Phase Histogram Scaling Profile \ |
|---|
| 3274 | "MD Pref Orient"} { |
|---|
| 3275 | set expgui($item) [Notebook:frame .n $item] |
|---|
| 3276 | Notebook:pageconfig .n $item -command "InitPage $item" -title $page |
|---|
| 3277 | } |
|---|
| 3278 | lappend expgui(frameactionlist) "lsFrame SetupExtractHist" |
|---|
| 3279 | lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms $expgui(curPhase) noreset}" |
|---|
| 3280 | lappend expgui(frameactionlist) "histFrame DisplayHistogram" |
|---|
| 3281 | lappend expgui(frameactionlist) "fracFrame DisplayFrac" |
|---|
| 3282 | lappend expgui(frameactionlist) "profFrame DisplayProfile" |
|---|
| 3283 | lappend expgui(frameactionlist) "orientFrame DisplayOrient" |
|---|
| 3284 | set expgui(GlobalModeAllDisable) {} |
|---|
| 3285 | lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}" |
|---|
| 3286 | lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}" |
|---|
| 3287 | } |
|---|
| 3288 | |
|---|
| 3289 | # this is used to bring up the selected frame |
|---|
| 3290 | proc RaisePage {nextpage} { |
|---|
| 3291 | global expgui |
|---|
| 3292 | if $expgui(haveBW) { |
|---|
| 3293 | set expgui(pagenow) $nextpage |
|---|
| 3294 | .n see $nextpage |
|---|
| 3295 | .n raise $nextpage |
|---|
| 3296 | } else { |
|---|
| 3297 | Notebook:raise .n $nextpage |
|---|
| 3298 | InitPage $nextpage |
|---|
| 3299 | } |
|---|
| 3300 | } |
|---|
| 3301 | # this is only called when BWidget is not in use |
|---|
| 3302 | proc InitPage {nextpage} { |
|---|
| 3303 | global expgui |
|---|
| 3304 | set expgui(pagenow) $nextpage |
|---|
| 3305 | UpdateCurrentPage |
|---|
| 3306 | } |
|---|
| 3307 | # resize the notebook to fit all the tabs and the largest page |
|---|
| 3308 | proc ResizeNotebook {} { |
|---|
| 3309 | global expgui |
|---|
| 3310 | if {$expgui(haveBW)} { |
|---|
| 3311 | .n compute_size |
|---|
| 3312 | } else { |
|---|
| 3313 | Notebook:resize .n |
|---|
| 3314 | } |
|---|
| 3315 | } |
|---|
| 3316 | |
|---|
| 3317 | #---------------------------------------------------------------------------- |
|---|
| 3318 | proc MakePhasePane {} { |
|---|
| 3319 | #\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ |
|---|
| 3320 | global expgui entryvar entrybox entrycmd |
|---|
| 3321 | frame $expgui(phaseFrame).top |
|---|
| 3322 | set frameLatt [frame $expgui(phaseFrame).frameLatt] |
|---|
| 3323 | # This is a big frame in the Phase notebook pane to hold atomic data. |
|---|
| 3324 | set fbig [frame $expgui(phaseFrame).fbig -width 180 \ |
|---|
| 3325 | -relief raised -borderwidth 4 -class Coord] |
|---|
| 3326 | # This is a frame just below the big frame: for edits |
|---|
| 3327 | set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \ |
|---|
| 3328 | -relief raised -borderwidth 4 -bg $expgui(bkgcolor1)] |
|---|
| 3329 | |
|---|
| 3330 | grid $expgui(phaseFrame).top -sticky news -row 0 -column 0 |
|---|
| 3331 | grid $frameLatt -sticky news -row 2 -column 0 |
|---|
| 3332 | grid $fbig -sticky news -row 3 -column 0 |
|---|
| 3333 | # give extra space to the atoms box |
|---|
| 3334 | grid columnconfigure $expgui(phaseFrame) 0 -weight 1 |
|---|
| 3335 | grid rowconfigure $expgui(phaseFrame) 3 -weight 1 |
|---|
| 3336 | grid $frame3 -sticky news -row 4 -column 0 |
|---|
| 3337 | grid columnconfigure $expgui(phaseFrame) 0 -weight 1 |
|---|
| 3338 | grid rowconfigure $expgui(phaseFrame) 3 -weight 1 |
|---|
| 3339 | grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w |
|---|
| 3340 | # this is where the buttons will go |
|---|
| 3341 | pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left |
|---|
| 3342 | |
|---|
| 3343 | grid [label $expgui(phaseFrame).top.lA -text title: \ |
|---|
| 3344 | -fg blue ] -column 1 -row 0 -sticky e |
|---|
| 3345 | grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \ |
|---|
| 3346 | -fg blue -width 45] -column 2 -row 0 -sticky e |
|---|
| 3347 | grid columnconfigure $expgui(phaseFrame).top 1 -weight 1 |
|---|
| 3348 | # ------------- Lattice Parameter Box ------------------ |
|---|
| 3349 | set row 0 |
|---|
| 3350 | foreach col {2 4 6} var {a b c} lbl {a b c} { |
|---|
| 3351 | grid [label $frameLatt.l$var -text $lbl] \ |
|---|
| 3352 | -column $col -row $row -padx 5 -sticky e |
|---|
| 3353 | incr col |
|---|
| 3354 | grid [label $frameLatt.e$var -textvariable entryvar($var) \ |
|---|
| 3355 | -relief groove -bd 2 -width 10] \ |
|---|
| 3356 | -column $col -row $row -padx 5 |
|---|
| 3357 | # grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \ |
|---|
| 3358 | # -column $col -row $row -padx 5 |
|---|
| 3359 | # set entrybox($var) $frameLatt.e$var |
|---|
| 3360 | } |
|---|
| 3361 | incr row |
|---|
| 3362 | foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} { |
|---|
| 3363 | grid [label $frameLatt.l$var -text $lbl] \ |
|---|
| 3364 | -column $col -row $row -padx 5 -sticky e |
|---|
| 3365 | set font [$frameLatt.l$var cget -font] |
|---|
| 3366 | $frameLatt.l$var config -font "Symbol [lrange $font 1 end]" |
|---|
| 3367 | |
|---|
| 3368 | incr col |
|---|
| 3369 | grid [label $frameLatt.e$var -textvariable entryvar($var)\ |
|---|
| 3370 | -relief groove -bd 2 -width 10] \ |
|---|
| 3371 | -column $col -row $row -padx 5 |
|---|
| 3372 | # grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \ |
|---|
| 3373 | # -column $col -row $row -padx 5 |
|---|
| 3374 | # set entrybox($var) $frameLatt.e$var |
|---|
| 3375 | } |
|---|
| 3376 | |
|---|
| 3377 | grid [button $frameLatt.edit -text "Edit\nCell" -command EditCellConstants] \ |
|---|
| 3378 | -column 8 -row 0 -rowspan 2 -padx 5 -sticky e |
|---|
| 3379 | grid [label $frameLatt.lr -text "Refine Cell"] -column 9 -row 0 -padx 5 -sticky e |
|---|
| 3380 | grid [label $frameLatt.ld -text "Cell damping"] -column 9 -row 1 -padx 5 -sticky e |
|---|
| 3381 | set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)] |
|---|
| 3382 | grid $cFlag -column 10 -row 0 -padx 5 -sticky e |
|---|
| 3383 | tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 3384 | grid $frameLatt.om -column 10 -row 1 -padx 5 -sticky e |
|---|
| 3385 | grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \ |
|---|
| 3386 | -column 1 -row 0 -rowspan 2 |
|---|
| 3387 | if [file executable $expgui(exptool)] { |
|---|
| 3388 | grid [button $expgui(phaseFrame).frameLatt.newp \ |
|---|
| 3389 | -text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \ |
|---|
| 3390 | ] -column 0 -row 0 -rowspan 2 -sticky w |
|---|
| 3391 | } |
|---|
| 3392 | grid columnconfig $frameLatt 1 -weight 1 |
|---|
| 3393 | grid columnconfig $frameLatt 0 -weight 1 |
|---|
| 3394 | #-------------- Begin Atom Coordinates Box ------------------------------ |
|---|
| 3395 | grid [listbox $fbig.title -height 1 -relief flat \ |
|---|
| 3396 | -exportselection 0 -bg lightgrey -fg black \ |
|---|
| 3397 | -selectforeground black -selectbackground lightgrey] \ |
|---|
| 3398 | -row 0 -column 0 -sticky ew |
|---|
| 3399 | set expgui(atomtitle) $fbig.title |
|---|
| 3400 | bind $expgui(atomtitle) <Button-1> { |
|---|
| 3401 | set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)] |
|---|
| 3402 | incr i |
|---|
| 3403 | set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i] |
|---|
| 3404 | DisplayAllAtoms $expgui(curPhase) |
|---|
| 3405 | } |
|---|
| 3406 | bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms $expgui(curPhase)} |
|---|
| 3407 | |
|---|
| 3408 | $expgui(atomtitle) configure -selectmode extended |
|---|
| 3409 | grid [listbox $fbig.lbox -height 10 \ |
|---|
| 3410 | -exportselection 0 \ |
|---|
| 3411 | -xscrollcommand " $fbig.bscr set"\ |
|---|
| 3412 | -yscrollcommand " $fbig.rscr set"\ |
|---|
| 3413 | ] -row 1 -column 0 -sticky news |
|---|
| 3414 | set expgui(atomlistbox) $fbig.lbox |
|---|
| 3415 | $expgui(atomlistbox) configure -selectmode extended |
|---|
| 3416 | grid [scrollbar $fbig.bscr -orient horizontal \ |
|---|
| 3417 | -command "move2boxesX \" $fbig.title $fbig.lbox \" " \ |
|---|
| 3418 | ] -row 2 -column 0 -sticky ew |
|---|
| 3419 | grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \ |
|---|
| 3420 | ] -row 1 -column 1 -sticky ns |
|---|
| 3421 | # give extra space to the atoms box |
|---|
| 3422 | grid columnconfigure $fbig 0 -weight 1 |
|---|
| 3423 | grid rowconfigure $fbig 1 -weight 1 |
|---|
| 3424 | |
|---|
| 3425 | # BIND mouse in editbox |
|---|
| 3426 | bind $expgui(atomlistbox) <ButtonRelease-1> editRecord |
|---|
| 3427 | bind $expgui(atomlistbox) <Button-3> SelectAllAtoms |
|---|
| 3428 | |
|---|
| 3429 | #-------------- End Atoms Section --------------------------------- |
|---|
| 3430 | |
|---|
| 3431 | # --------------------------- Begin Edit Box ------------------------ |
|---|
| 3432 | grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \ |
|---|
| 3433 | -column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w |
|---|
| 3434 | if [file executable $expgui(exptool)] { |
|---|
| 3435 | button $frame3.newa -text "Add New Atoms" \ |
|---|
| 3436 | -bg $expgui(bkgcolor1) -highlightthickness 0 \ |
|---|
| 3437 | -command {MakeAddAtomsBox $expgui(curPhase)} |
|---|
| 3438 | grid $frame3.newa -column 11 -row 0 |
|---|
| 3439 | set expgui(AddAtomBut) $frame3.newa |
|---|
| 3440 | } |
|---|
| 3441 | button [set expgui(atomxform) $frame3.xa] \ |
|---|
| 3442 | -bg $expgui(bkgcolor1) -highlightthickness 0 \ |
|---|
| 3443 | -command {MakeXformAtomsBox $expgui(curPhase)} |
|---|
| 3444 | grid $expgui(atomxform) -column 11 -row 1 -sticky ew |
|---|
| 3445 | |
|---|
| 3446 | set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)] |
|---|
| 3447 | grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3 |
|---|
| 3448 | foreach lbl {X U F} var {xref uref fref} col {1 2 3} { |
|---|
| 3449 | grid [checkbutton $frame3.cf$col \ |
|---|
| 3450 | -text $lbl -variable entryvar($var) \ |
|---|
| 3451 | -bg $expgui(bkgcolor1) -highlightthickness 0 \ |
|---|
| 3452 | -activebackground $expgui(bkgcolor1)] \ |
|---|
| 3453 | -column $col -row 1 -padx 4 -pady 3 -sticky w |
|---|
| 3454 | } |
|---|
| 3455 | set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)] |
|---|
| 3456 | grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3 |
|---|
| 3457 | |
|---|
| 3458 | set col 4 |
|---|
| 3459 | foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} { |
|---|
| 3460 | grid [label $frame3.lom$num -text $lbl \ |
|---|
| 3461 | -bg $expgui(bkgcolor1)] \ |
|---|
| 3462 | -column [incr col] -row 1 -padx 2 -pady 3 -sticky w |
|---|
| 3463 | tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 3464 | $frame3.om$num config -highlightthickness 0 |
|---|
| 3465 | grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w |
|---|
| 3466 | } |
|---|
| 3467 | set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 " |
|---|
| 3468 | set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4" |
|---|
| 3469 | |
|---|
| 3470 | set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)] |
|---|
| 3471 | grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew |
|---|
| 3472 | |
|---|
| 3473 | set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)] |
|---|
| 3474 | grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3 |
|---|
| 3475 | set expgui(atomlabels) $f3l1 |
|---|
| 3476 | |
|---|
| 3477 | set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6] |
|---|
| 3478 | grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3 |
|---|
| 3479 | set expgui(atomentry) $f3e1 |
|---|
| 3480 | |
|---|
| 3481 | set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)] |
|---|
| 3482 | grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3 |
|---|
| 3483 | lappend expgui(atomlabels) $f3l8 |
|---|
| 3484 | set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)] |
|---|
| 3485 | grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3 |
|---|
| 3486 | lappend expgui(atomlabels) $f3l11 |
|---|
| 3487 | |
|---|
| 3488 | foreach var {x y z frac} col {3 4 5 7} { |
|---|
| 3489 | set entrybox($var) [entry $frame3.coords.e$var \ |
|---|
| 3490 | -textvariable entryvar($var) -width 10] |
|---|
| 3491 | grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3 |
|---|
| 3492 | lappend expgui(atomentry) $entrybox($var) |
|---|
| 3493 | } |
|---|
| 3494 | |
|---|
| 3495 | |
|---|
| 3496 | set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)] |
|---|
| 3497 | grid $f3f31 -column 0 -row 7 -columnspan 12 |
|---|
| 3498 | set expgui(anisolabels) {} |
|---|
| 3499 | foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} { |
|---|
| 3500 | lappend expgui(anisolabels) [\ |
|---|
| 3501 | label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1) |
|---|
| 3502 | ] |
|---|
| 3503 | } |
|---|
| 3504 | set expgui(anisoentry) {} |
|---|
| 3505 | foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} { |
|---|
| 3506 | lappend expgui(anisoentry) [\ |
|---|
| 3507 | entry $f3f31.$i -textvariable entryvar($var) \ |
|---|
| 3508 | -width 10] |
|---|
| 3509 | set entrybox($var) $f3f31.$i |
|---|
| 3510 | } |
|---|
| 3511 | |
|---|
| 3512 | set col 0 |
|---|
| 3513 | foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) { |
|---|
| 3514 | grid $item1 -column $col -row 0 -sticky nsw -pady 3 |
|---|
| 3515 | incr col |
|---|
| 3516 | grid $item2 -column $col -row 0 -sticky nsw -pady 3 |
|---|
| 3517 | incr col |
|---|
| 3518 | } |
|---|
| 3519 | # --------------------------- End Edit Box ------------------------- |
|---|
| 3520 | |
|---|
| 3521 | #/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ / |
|---|
| 3522 | # resize in case the pane needs more space |
|---|
| 3523 | ResizeNotebook |
|---|
| 3524 | } |
|---|
| 3525 | |
|---|
| 3526 | # called to create a window for editing unit cell constants |
|---|
| 3527 | proc EditCellConstants {} { |
|---|
| 3528 | global expgui entrybox |
|---|
| 3529 | set spg [phaseinfo $expgui(curPhase) spacegroup] |
|---|
| 3530 | set laueaxis [GetLaue $spg] |
|---|
| 3531 | set vary "" |
|---|
| 3532 | set equivL "" |
|---|
| 3533 | set equivA "" |
|---|
| 3534 | switch -exact $laueaxis { |
|---|
| 3535 | 1bar {set vary "a b c alpha beta gamma"} |
|---|
| 3536 | 2/ma {set vary "a b c alpha"} |
|---|
| 3537 | 2/mb {set vary "a b c beta"} |
|---|
| 3538 | 2/mc {set vary "a b c gamma"} |
|---|
| 3539 | mmm {set vary "a b c"} |
|---|
| 3540 | 4/m - |
|---|
| 3541 | 4/mmm {set vary "a c"; set equivL "a b"} |
|---|
| 3542 | 3barR - |
|---|
| 3543 | "3bar mR" { |
|---|
| 3544 | set vary "a alpha" |
|---|
| 3545 | set equivL "a b c" |
|---|
| 3546 | set equivA "alpha beta gamma" |
|---|
| 3547 | } |
|---|
| 3548 | 3bar - |
|---|
| 3549 | 3barm1 - |
|---|
| 3550 | 3bar1m - |
|---|
| 3551 | 6/m - |
|---|
| 3552 | 6/mmm {set vary "a c";set equivL "a b"} |
|---|
| 3553 | "m 3" - |
|---|
| 3554 | m3m {set vary a;set equivL "a b c"} |
|---|
| 3555 | default { |
|---|
| 3556 | MyMessageBox -parent . -title "Laue problem" \ |
|---|
| 3557 | -message "Error processing Laue code: $laueaxis\nError in space group \"$spg\"?\nUnable to edit cell. Fix or use EXPEDT." \ |
|---|
| 3558 | -icon warning -type OK -default ok \ |
|---|
| 3559 | -helplink "expguierr.html BadLaue" |
|---|
| 3560 | } |
|---|
| 3561 | } |
|---|
| 3562 | set row 0 |
|---|
| 3563 | set w .cell |
|---|
| 3564 | toplevel $w -bg beige |
|---|
| 3565 | wm title $w "Edit Cell Parameters" |
|---|
| 3566 | # bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground" |
|---|
| 3567 | bind $w <Return> "set expgui(temp) 1; destroy $w" |
|---|
| 3568 | pack [label $w.l1 -bg yellow -anchor center -justify center \ |
|---|
| 3569 | -text "Edit unit cell parameters for phase #$expgui(curPhase)" \ |
|---|
| 3570 | ] -side top -expand yes -fill both |
|---|
| 3571 | pack [label $w.l2 -bg beige -justify left \ |
|---|
| 3572 | -text "title: [phaseinfo $expgui(curPhase) name]\nSpace group: $spg\nLaue class: $laueaxis" \ |
|---|
| 3573 | ] -side top -expand yes -fill both |
|---|
| 3574 | pack [frame $w.0 -bd 6 -relief groove -bg beige \ |
|---|
| 3575 | ] -side top -expand yes -fill both |
|---|
| 3576 | pack [frame $w.b -bg beige] -fill x -expand yes -side top |
|---|
| 3577 | grid [button $w.b.2 -text Set -command "set expgui(temp) 1; destroy $w"] -row 0 -column 1 |
|---|
| 3578 | grid [button $w.b.3 -text Quit \ |
|---|
| 3579 | -command "set expgui(temp) 0; destroy $w"] -row 0 -column 2 |
|---|
| 3580 | # grid [button $w.b.help -text Help -bg yellow \ |
|---|
| 3581 | # -command "MakeWWWHelp expgui3.html EditBackground"] \ |
|---|
| 3582 | # -row 0 -column 4 |
|---|
| 3583 | |
|---|
| 3584 | global tmpvar |
|---|
| 3585 | trace variable tmpvar w TestCellEdit |
|---|
| 3586 | foreach ent {a b c alpha beta gamma} { |
|---|
| 3587 | set tmpvar($ent) [phaseinfo $expgui(curPhase) $ent] |
|---|
| 3588 | } |
|---|
| 3589 | |
|---|
| 3590 | set frameLatt $w.0 |
|---|
| 3591 | foreach col {2 4 6} var {a b c} lbl {a b c} { |
|---|
| 3592 | grid [label $frameLatt.l$var -text $lbl -bg beige] \ |
|---|
| 3593 | -column $col -row $row -padx 5 -sticky e |
|---|
| 3594 | incr col |
|---|
| 3595 | if {[lsearch $equivL $var] == -1} { |
|---|
| 3596 | set v $var |
|---|
| 3597 | } else { |
|---|
| 3598 | set v [lindex $equivL 0] |
|---|
| 3599 | } |
|---|
| 3600 | if {[lsearch $vary $var] == -1} { |
|---|
| 3601 | grid [label $frameLatt.e$var -textvariable tmpvar($v) \ |
|---|
| 3602 | -width 10 -bg beige] \ |
|---|
| 3603 | -column $col -row $row -padx 5 |
|---|
| 3604 | } else { |
|---|
| 3605 | grid [entry $frameLatt.e$var -textvariable tmpvar($v) \ |
|---|
| 3606 | -width 10] -column $col -row $row -padx 5 |
|---|
| 3607 | set entrybox($var) $frameLatt.e$var |
|---|
| 3608 | } |
|---|
| 3609 | } |
|---|
| 3610 | incr row |
|---|
| 3611 | foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} { |
|---|
| 3612 | grid [label $frameLatt.l$var -text $lbl -bg beige] \ |
|---|
| 3613 | -column $col -row $row -padx 5 -sticky e |
|---|
| 3614 | set font [$frameLatt.l$var cget -font] |
|---|
| 3615 | $frameLatt.l$var config -font "Symbol [lrange $font 1 end]" |
|---|
| 3616 | |
|---|
| 3617 | incr col |
|---|
| 3618 | if {[lsearch $equivA $var] == -1} { |
|---|
| 3619 | set v $var |
|---|
| 3620 | } else { |
|---|
| 3621 | set v [lindex $equivA 0] |
|---|
| 3622 | } |
|---|
| 3623 | if {[lsearch $vary $var] == -1} { |
|---|
| 3624 | grid [label $frameLatt.e$var -textvariable tmpvar($v)\ |
|---|
| 3625 | -width 10 -bg beige] \ |
|---|
| 3626 | -column $col -row $row -padx 5 |
|---|
| 3627 | } else { |
|---|
| 3628 | grid [entry $frameLatt.e$var -textvariable tmpvar($v) \ |
|---|
| 3629 | -width 10] -column $col -row $row -padx 5 |
|---|
| 3630 | set entrybox($var) $frameLatt.e$var |
|---|
| 3631 | } |
|---|
| 3632 | } |
|---|
| 3633 | putontop $w |
|---|
| 3634 | tkwait window $w |
|---|
| 3635 | afterputontop |
|---|
| 3636 | global entryvar |
|---|
| 3637 | set change 0 |
|---|
| 3638 | if {$expgui(temp)} { |
|---|
| 3639 | foreach var {a b c} { |
|---|
| 3640 | if {[lsearch $equivL $var] == -1} { |
|---|
| 3641 | set v $var |
|---|
| 3642 | } else { |
|---|
| 3643 | set v [lindex $equivL 0] |
|---|
| 3644 | } |
|---|
| 3645 | catch { |
|---|
| 3646 | expr [set val $tmpvar($v)] |
|---|
| 3647 | if {[phaseinfo $expgui(curPhase) $var] != $val} { |
|---|
| 3648 | phaseinfo $expgui(curPhase) $var set $val |
|---|
| 3649 | set entryvar($var) $val |
|---|
| 3650 | incr expgui(changed) |
|---|
| 3651 | set change 1 |
|---|
| 3652 | } |
|---|
| 3653 | } |
|---|
| 3654 | } |
|---|
| 3655 | foreach var {alpha beta gamma} { |
|---|
| 3656 | if {[lsearch $equivA $var] == -1} { |
|---|
| 3657 | set v $var |
|---|
| 3658 | } else { |
|---|
| 3659 | set v [lindex $equivA 0] |
|---|
| 3660 | } |
|---|
| 3661 | catch { |
|---|
| 3662 | expr [set val $tmpvar($v)] |
|---|
| 3663 | if {[phaseinfo $expgui(curPhase) $var] != $val} { |
|---|
| 3664 | phaseinfo $expgui(curPhase) $var set $val |
|---|
| 3665 | set entryvar($var) $val |
|---|
| 3666 | incr expgui(changed) |
|---|
| 3667 | set change 1 |
|---|
| 3668 | } |
|---|
| 3669 | } |
|---|
| 3670 | } |
|---|
| 3671 | if {$change} { |
|---|
| 3672 | # set the powpref warning (1 = suggested) |
|---|
| 3673 | if {$expgui(needpowpref) == 0} {set expgui(needpowpref) 1} |
|---|
| 3674 | append expgui(needpowpref_why) "\tCell parameters were changed\n" |
|---|
| 3675 | } |
|---|
| 3676 | } |
|---|
| 3677 | unset tmpvar |
|---|
| 3678 | } |
|---|
| 3679 | |
|---|
| 3680 | # highlight errors in unit cell constants |
|---|
| 3681 | proc TestCellEdit {var elem mode} { |
|---|
| 3682 | global tmpvar entrybox |
|---|
| 3683 | if {[catch {expr $tmpvar($elem)} errmsg]} { |
|---|
| 3684 | catch {$entrybox($elem) config -fg red} |
|---|
| 3685 | } else { |
|---|
| 3686 | catch {$entrybox($elem) config -fg black} |
|---|
| 3687 | } |
|---|
| 3688 | } |
|---|
| 3689 | |
|---|
| 3690 | #----------------------------------------------------------------------------- |
|---|
| 3691 | proc MakeHistPane {} { |
|---|
| 3692 | #v v v v v v v v v v BEGINNING OF HISTOGRAM PANE CODE v v v v v v v v v v |
|---|
| 3693 | global expgui |
|---|
| 3694 | |
|---|
| 3695 | grid columnconfigure $expgui(histFrame) 0 -weight 1 |
|---|
| 3696 | grid rowconfigure $expgui(histFrame) 1 -weight 1 |
|---|
| 3697 | grid rowconfigure $expgui(histFrame) 2 -weight 1 |
|---|
| 3698 | grid rowconfigure $expgui(histFrame) 3 -weight 1 |
|---|
| 3699 | |
|---|
| 3700 | grid [frame $expgui(histFrame).hs -class HistList] \ |
|---|
| 3701 | -column 0 -row 0 -rowspan 10 -sticky nsew |
|---|
| 3702 | MakeHistBox $expgui(histFrame).hs |
|---|
| 3703 | bind $expgui(histFrame).hs.lbox <ButtonRelease-1> { |
|---|
| 3704 | set expgui(curhist) [$expgui(histFrame).hs.lbox curselection] |
|---|
| 3705 | DisplayHistogram |
|---|
| 3706 | } |
|---|
| 3707 | bind $expgui(histFrame).hs.lbox <Button-3> { |
|---|
| 3708 | if $expgui(globalmode) { |
|---|
| 3709 | $expgui(histFrame).hs.lbox selection set 0 end |
|---|
| 3710 | set expgui(curhist) [$expgui(histFrame).hs.lbox curselection] |
|---|
| 3711 | DisplayHistogram |
|---|
| 3712 | } |
|---|
| 3713 | } |
|---|
| 3714 | |
|---|
| 3715 | frame $expgui(histFrame).top -borderwidth 4 -relief groove |
|---|
| 3716 | grid [label $expgui(histFrame).top.txt] -row 0 -column 0 |
|---|
| 3717 | if $expgui(haveBW) { |
|---|
| 3718 | foreach item {backBox diffBox absBox} num {2 3 4} \ |
|---|
| 3719 | title {Background "Diffractometer Constants" \ |
|---|
| 3720 | "Absorption/Reflectivity Correction"} { |
|---|
| 3721 | TitleFrame $expgui(histFrame).$item \ |
|---|
| 3722 | -borderwidth 4 -side left -relief groove -text $title |
|---|
| 3723 | set expgui($item) [$expgui(histFrame).$item getframe] |
|---|
| 3724 | grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew |
|---|
| 3725 | grid rowconfigure $expgui(histFrame) $num -minsize 100 |
|---|
| 3726 | } |
|---|
| 3727 | } else { |
|---|
| 3728 | foreach item {backBox diffBox absBox} num {1 2 3} \ |
|---|
| 3729 | title {Background "Diffractometer Constants" \ |
|---|
| 3730 | "Absorp./Reflect. Corr"} { |
|---|
| 3731 | frame $expgui(histFrame).$item -borderwidth 4 -relief groove |
|---|
| 3732 | grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew |
|---|
| 3733 | set expgui($item) $expgui(histFrame).$item |
|---|
| 3734 | grid [label $expgui(histFrame).$item.title -text $title] \ |
|---|
| 3735 | -row 0 -column 0 -columnspan 10 -sticky nw |
|---|
| 3736 | } |
|---|
| 3737 | } |
|---|
| 3738 | |
|---|
| 3739 | grid [frame $expgui(histFrame).bb] -column 1 -row 6 |
|---|
| 3740 | if [file executable $expgui(exptool)] { |
|---|
| 3741 | button $expgui(histFrame).bb.newh -text "Add New\nHistogram" \ |
|---|
| 3742 | -command MakeAddHistBox |
|---|
| 3743 | grid $expgui(histFrame).bb.newh -column 0 -row 1 |
|---|
| 3744 | } |
|---|
| 3745 | button $expgui(histFrame).bb.excl \ |
|---|
| 3746 | -text "Set Data Limits &\nExcluded Regions" -command excledit |
|---|
| 3747 | grid $expgui(histFrame).bb.excl -column 1 -row 1 |
|---|
| 3748 | |
|---|
| 3749 | button $expgui(histFrame).bb.use -text "Set Histogram\nUse Flags" \ |
|---|
| 3750 | -command SetHistUseFlags |
|---|
| 3751 | grid $expgui(histFrame).bb.use -column 2 -row 1 |
|---|
| 3752 | |
|---|
| 3753 | # BACKGROUND information. |
|---|
| 3754 | # <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<< |
|---|
| 3755 | grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11 |
|---|
| 3756 | grid [label $expgui(backBox).frm1.lBGType \ |
|---|
| 3757 | -textvariable expgui(backtypelbl)] \ |
|---|
| 3758 | -row 1 -column 0 -sticky nws -padx 2 -pady 3 |
|---|
| 3759 | grid [label $expgui(backBox).frm1.lBGTerms \ |
|---|
| 3760 | -textvariable expgui(backtermlbl)] \ |
|---|
| 3761 | -row 1 -column 1 -sticky nws -padx 2 -pady 3 |
|---|
| 3762 | grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \ |
|---|
| 3763 | -command editbackground] \ |
|---|
| 3764 | -row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3 |
|---|
| 3765 | grid [frame $expgui(backBox).frm2 ] \ |
|---|
| 3766 | -row 1 -column 0 -columnspan 11 -sticky e |
|---|
| 3767 | grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \ |
|---|
| 3768 | -row 2 -column 1 -sticky news -padx 4 -pady 3 |
|---|
| 3769 | grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \ |
|---|
| 3770 | -variable entryvar(bref) ] \ |
|---|
| 3771 | -row 2 -column 2 -sticky news -padx 4 -pady 3 |
|---|
| 3772 | grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \ |
|---|
| 3773 | -row 2 -column 3 -sticky w -padx 2 -pady 3 |
|---|
| 3774 | tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 3775 | grid $expgui(backBox).frm2.om \ |
|---|
| 3776 | -row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e |
|---|
| 3777 | # Absorption information. |
|---|
| 3778 | grid [label $expgui(absBox).rf1 -text " Refine Abs./Refl." ] \ |
|---|
| 3779 | -row 2 -column 1 -sticky news -padx 4 -pady 3 |
|---|
| 3780 | grid [checkbutton $expgui(absBox).rf2 -text "" \ |
|---|
| 3781 | -variable entryvar(absref) ] \ |
|---|
| 3782 | -row 2 -column 2 -sticky news -padx 4 -pady 3 |
|---|
| 3783 | grid [label $expgui(absBox).d1 -text Damping ] \ |
|---|
| 3784 | -row 2 -column 3 -sticky w -padx 2 -pady 3 |
|---|
| 3785 | tk_optionMenu $expgui(absBox).d2 entryvar(absdamp) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 3786 | grid $expgui(absBox).d2 \ |
|---|
| 3787 | -row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e |
|---|
| 3788 | grid [button $expgui(absBox).edit -textvariable expgui(abslbl) \ |
|---|
| 3789 | -command editabsorption] \ |
|---|
| 3790 | -row 2 -column 5 -sticky w -padx 2 -pady 3 |
|---|
| 3791 | |
|---|
| 3792 | #^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ |
|---|
| 3793 | # insert the histograms & resize in case the pane needs more space |
|---|
| 3794 | sethistlist |
|---|
| 3795 | ResizeNotebook |
|---|
| 3796 | } |
|---|
| 3797 | ############################################################################### |
|---|
| 3798 | proc MakeScalingPane {} { |
|---|
| 3799 | #v v v v v v v v v v BEGINNING OF SCALING PANE CODE v v v v v v v v v v |
|---|
| 3800 | global expgui entryvar entrybox |
|---|
| 3801 | |
|---|
| 3802 | pack [frame $expgui(fracFrame).hs -class HistList] \ |
|---|
| 3803 | -side left -expand y -fill both |
|---|
| 3804 | MakeHistBox $expgui(fracFrame).hs |
|---|
| 3805 | bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> { |
|---|
| 3806 | set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection] |
|---|
| 3807 | DisplayFrac |
|---|
| 3808 | } |
|---|
| 3809 | bind $expgui(fracFrame).hs.lbox <Button-3> { |
|---|
| 3810 | if $expgui(globalmode) { |
|---|
| 3811 | $expgui(fracFrame).hs.lbox selection set 0 end |
|---|
| 3812 | set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection] |
|---|
| 3813 | DisplayFrac |
|---|
| 3814 | } |
|---|
| 3815 | } |
|---|
| 3816 | |
|---|
| 3817 | pack [frame $expgui(fracFrame).f1] -fill both -expand true |
|---|
| 3818 | # Create a large canvas area containing a frame for each phase in the data set. |
|---|
| 3819 | # The canvas and vertical scrollbar are inside a frame called f1 |
|---|
| 3820 | if $expgui(haveBW) { |
|---|
| 3821 | TitleFrame $expgui(fracFrame).f1.scaleBox \ |
|---|
| 3822 | -borderwidth 4 -text "Scale Factor" |
|---|
| 3823 | # -borderwidth 4 -width 600 -height 100 -label "Scale Factor" |
|---|
| 3824 | grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2 |
|---|
| 3825 | set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe] |
|---|
| 3826 | grid [label $expgui(scaleBox).histSFLabel -text Scale] \ |
|---|
| 3827 | -row 1 -column 0 -sticky nws -padx 2 -pady 3 |
|---|
| 3828 | } else { |
|---|
| 3829 | frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove |
|---|
| 3830 | grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2 |
|---|
| 3831 | set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox |
|---|
| 3832 | grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \ |
|---|
| 3833 | -row 1 -column 0 -sticky nws -padx 2 -pady 3 |
|---|
| 3834 | } |
|---|
| 3835 | grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \ |
|---|
| 3836 | -row 1 -column 1 -sticky ew -padx 4 -pady 3 |
|---|
| 3837 | set entrybox(scale) $expgui(scaleBox).ent1 |
|---|
| 3838 | |
|---|
| 3839 | button $expgui(scaleBox).but1 -text "Set Globally" \ |
|---|
| 3840 | -command "editglobalparm histinfo scale {Scale Factor}" |
|---|
| 3841 | |
|---|
| 3842 | grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \ |
|---|
| 3843 | -row 1 -column 2 -sticky nws -padx 2 -pady 3 |
|---|
| 3844 | grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \ |
|---|
| 3845 | -row 1 -column 3 -sticky news -padx 4 -pady 3 |
|---|
| 3846 | grid [label $expgui(scaleBox).lD1 -text "Damping"] \ |
|---|
| 3847 | -row 1 -column 4 -sticky w -padx 2 -pady 3 |
|---|
| 3848 | tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9 |
|---|
| 3849 | grid $expgui(scaleBox).om \ |
|---|
| 3850 | -row 1 -column 5 -sticky news -padx 4 -pady 3 |
|---|
| 3851 | grid columnconfigure $expgui(scaleBox) 6 -weight 1 |
|---|
| 3852 | |
|---|
| 3853 | if $expgui(haveBW) { |
|---|
| 3854 | grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \ |
|---|
| 3855 | -text "Phase Fractions" -relief groove] \ |
|---|
| 3856 | -sticky news -row 1 -column 0 -columnspan 2 |
|---|
| 3857 | set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe] |
|---|
| 3858 | } else { |
|---|
| 3859 | set PhaseFractBox $expgui(fracFrame).f1 |
|---|
| 3860 | } |
|---|
| 3861 | grid columnconfigure $expgui(fracFrame).f1 0 -weight 1 |
|---|
| 3862 | grid rowconfigure $expgui(fracFrame).f1 1 -weight 1 |
|---|
| 3863 | |
|---|
| 3864 | grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \ |
|---|
| 3865 | -scrollregion {0 0 5000 500} \ |
|---|
| 3866 | -yscrollcommand "$PhaseFractBox.yscroll set" \ |
|---|
| 3867 | -width 500 -height 350 -bg lightgrey]] \ |
|---|
| 3868 | -sticky news -row 1 -column 0 |
|---|
| 3869 | grid [scrollbar $PhaseFractBox.yscroll \ |
|---|
| 3870 | -command "$expgui(FracBox) yview" \ |
|---|
| 3871 | -orient vertical] \ |
|---|
| 3872 | -sticky ns -row 1 -column 1 |
|---|
| 3873 | frame $expgui(FracBox).f -bd 0 |
|---|
| 3874 | $expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f |
|---|
| 3875 | |
|---|
| 3876 | # the rest of the page is created in DisplayFrac |
|---|
| 3877 | |
|---|
| 3878 | # insert the histograms & resize in case the pane needs more space |
|---|
| 3879 | sethistlist |
|---|
| 3880 | ResizeNotebook |
|---|
| 3881 | # ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ |
|---|
| 3882 | } |
|---|
| 3883 | ############################################################################### |
|---|
| 3884 | proc MakeProfilePane {} { |
|---|
| 3885 | global expgui |
|---|
| 3886 | # v v v v v v v v v v BEGINNING OF PROFILE PANE CODE v v v v v v v v v v v |
|---|
| 3887 | pack [frame $expgui(profFrame).hs -class HistList] \ |
|---|
| 3888 | -side left -expand y -fill both |
|---|
| 3889 | MakeHistBox $expgui(profFrame).hs |
|---|
| 3890 | bind $expgui(profFrame).hs.lbox <ButtonRelease-1> { |
|---|
| 3891 | set expgui(curhist) [$expgui(profFrame).hs.lbox curselection] |
|---|
| 3892 | DisplayProfile |
|---|
| 3893 | } |
|---|
| 3894 | bind $expgui(profFrame).hs.lbox <Button-3> { |
|---|
| 3895 | if $expgui(globalmode) { |
|---|
| 3896 | $expgui(profFrame).hs.lbox selection set 0 end |
|---|
| 3897 | set expgui(curhist) [$expgui(profFrame).hs.lbox curselection] |
|---|
| 3898 | DisplayProfile |
|---|
| 3899 | } |
|---|
| 3900 | } |
|---|
| 3901 | |
|---|
| 3902 | # Create a large canvas area containing a frame for each phase in the data set. |
|---|
| 3903 | # The canvas and vertical scrollbar are inside a frame called f1 |
|---|
| 3904 | pack [frame $expgui(profFrame).f1] -fill both -expand true |
|---|
| 3905 | grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \ |
|---|
| 3906 | -scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \ |
|---|
| 3907 | -sticky news -row 0 -column 0 |
|---|
| 3908 | grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \ |
|---|
| 3909 | -sticky ns -row 0 -column 1 |
|---|
| 3910 | |
|---|
| 3911 | $expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set" |
|---|
| 3912 | $expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview } |
|---|
| 3913 | |
|---|
| 3914 | grid columnconfigure $expgui(profFrame).f1 1 -weight 1 |
|---|
| 3915 | grid rowconfigure $expgui(profFrame).f1 0 -weight 1 |
|---|
| 3916 | frame $expgui(ProfileBox).f -bd 0 |
|---|
| 3917 | $expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f |
|---|
| 3918 | |
|---|
| 3919 | # insert the histograms & resize in case the pane needs more space |
|---|
| 3920 | sethistlist |
|---|
| 3921 | ResizeNotebook |
|---|
| 3922 | # ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ |
|---|
| 3923 | } |
|---|
| 3924 | |
|---|
| 3925 | ############################################################################## |
|---|
| 3926 | # v v v v v v v v v v BEGINNING OF LS PANE CODE v v v v v v v v v v v v v |
|---|
| 3927 | array set printopts { |
|---|
| 3928 | 0 "Print the reciprocal metric tensor changes" |
|---|
| 3929 | 1 "Print the correlation matrix" |
|---|
| 3930 | 2 "Print the Least-Squares matrices and vectors" |
|---|
| 3931 | 4 "Print the linear constraint matrices" |
|---|
| 3932 | 5 "Print the applied shifts and shift factors" |
|---|
| 3933 | 6 "Print the reciprocal metric tensor Var-Covar terms" |
|---|
| 3934 | 7 "Print all parameters for each cycle" |
|---|
| 3935 | 8 "Print summary shift/esd data after last cycle" |
|---|
| 3936 | 9 "Print zero/unit pole figure constraint terms" |
|---|
| 3937 | } |
|---|
| 3938 | pack [frame $expgui(lsFrame).hs -class HistList] \ |
|---|
| 3939 | -side left -expand y -fill both |
|---|
| 3940 | MakeHistBox $expgui(lsFrame).hs |
|---|
| 3941 | bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> { |
|---|
| 3942 | set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection] |
|---|
| 3943 | SetupExtractHist |
|---|
| 3944 | } |
|---|
| 3945 | bind $expgui(lsFrame).hs.lbox <Button-3> { |
|---|
| 3946 | if $expgui(globalmode) { |
|---|
| 3947 | $expgui(lsFrame).hs.lbox selection set 0 end |
|---|
| 3948 | set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection] |
|---|
| 3949 | SetupExtractHist |
|---|
| 3950 | } |
|---|
| 3951 | } |
|---|
| 3952 | |
|---|
| 3953 | pack [frame $expgui(lsFrame).f1] -fill both -expand true |
|---|
| 3954 | set row 0 |
|---|
| 3955 | grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0 |
|---|
| 3956 | grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \ |
|---|
| 3957 | -textvariable expgui(last_History)] \ |
|---|
| 3958 | -row $row -column 1 -columnspan 5 -sticky w |
|---|
| 3959 | incr row |
|---|
| 3960 | grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0 |
|---|
| 3961 | grid [entry $expgui(lsFrame).f1.tit2 \ |
|---|
| 3962 | -textvariable entryvar(title) -width 48] \ |
|---|
| 3963 | -row $row -column 1 -columnspan 5 -sticky w |
|---|
| 3964 | set entrycmd(title) "expinfo title" |
|---|
| 3965 | |
|---|
| 3966 | incr row |
|---|
| 3967 | grid rowconfigure $expgui(lsFrame).f1 $row -weight 1 |
|---|
| 3968 | incr row |
|---|
| 3969 | grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \ |
|---|
| 3970 | -row $row -column 0 -columnspan 2 -pady 3 -sticky s |
|---|
| 3971 | grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0 |
|---|
| 3972 | grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \ |
|---|
| 3973 | -textvariable entryvar(cycles)] -row 0 -column 1 |
|---|
| 3974 | set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc |
|---|
| 3975 | |
|---|
| 3976 | grid [frame $expgui(lsFrame).f1.cv -bd 4 -relief groove] \ |
|---|
| 3977 | -row $row -column 2 -sticky ew |
|---|
| 3978 | grid [label $expgui(lsFrame).f1.cv.l -text "Convgerence Criterion"] \ |
|---|
| 3979 | -row 0 -column 0 -columnspan 2 |
|---|
| 3980 | grid [label $expgui(lsFrame).f1.cv.v -textvariable expgui(convlbl)] -row 1 -column 0 |
|---|
| 3981 | grid [scale $expgui(lsFrame).f1.cv.s -orient horizontal \ |
|---|
| 3982 | -from -200 -to 200 -showvalue 0 -command SetConv -resolution 10 \ |
|---|
| 3983 | -variable expgui(convg)] -row 1 -column 1 |
|---|
| 3984 | |
|---|
| 3985 | incr row |
|---|
| 3986 | grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \ |
|---|
| 3987 | -menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \ |
|---|
| 3988 | ] -row $row -column 0 -columnspan 2 |
|---|
| 3989 | menu $expgui(lsFrame).f1.lprint.menu |
|---|
| 3990 | foreach num [lsort [array names printopts]] { |
|---|
| 3991 | $expgui(lsFrame).f1.lprint.menu add checkbutton \ |
|---|
| 3992 | -label "$printopts($num) ([expr int(pow(2,$num))])"\ |
|---|
| 3993 | -variable entryvar(printopt$num) |
|---|
| 3994 | } |
|---|
| 3995 | |
|---|
| 3996 | grid [frame $expgui(lsFrame).f1.marq -bd 4 -relief groove] \ |
|---|
| 3997 | -row $row -column 2 -sticky ew |
|---|
| 3998 | grid [label $expgui(lsFrame).f1.marq.l -text "Marquardt Damping"] \ |
|---|
| 3999 | -row 0 -column 0 -columnspan 2 |
|---|
| 4000 | grid [label $expgui(lsFrame).f1.marq.v -textvariable expgui(marq)] \ |
|---|
| 4001 | -row 1 -column 0 |
|---|
| 4002 | grid [scale $expgui(lsFrame).f1.marq.s -orient horizontal \ |
|---|
| 4003 | -from 1.0 -to 9.99 -showvalue 0 -command SetMarq -resolution 0.01 \ |
|---|
| 4004 | -variable expgui(marq)] -row 1 -column 1 |
|---|
| 4005 | |
|---|
| 4006 | incr row |
|---|
| 4007 | grid rowconfigure $expgui(lsFrame).f1 $row -weight 1 |
|---|
| 4008 | |
|---|
| 4009 | incr row |
|---|
| 4010 | if {$expgui(haveBW)} { |
|---|
| 4011 | grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \ |
|---|
| 4012 | -text "Reflection Intensity Extraction" \ |
|---|
| 4013 | ] -row $row -column 0 -columnspan 6 |
|---|
| 4014 | set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe] |
|---|
| 4015 | } else { |
|---|
| 4016 | grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \ |
|---|
| 4017 | ] -row $row -column 0 -columnspan 6 |
|---|
| 4018 | set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a |
|---|
| 4019 | } |
|---|
| 4020 | |
|---|
| 4021 | grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \ |
|---|
| 4022 | -row 0 -column 8 -columnspan 3 -sticky ens |
|---|
| 4023 | grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \ |
|---|
| 4024 | -row 0 -column 2 |
|---|
| 4025 | grid [checkbutton $expgui(FobsExtractFrame).c.foc \ |
|---|
| 4026 | -variable entryvar(fobsextract)] -row 0 -column 3 |
|---|
| 4027 | |
|---|
| 4028 | grid [frame $expgui(FobsExtractFrame).d -bd 4 -relief groove] \ |
|---|
| 4029 | -row 0 -column 3 -columnspan 5 -sticky ens |
|---|
| 4030 | grid [label $expgui(FobsExtractFrame).d.fol -text "LeBail damping"] \ |
|---|
| 4031 | -row 0 -column 2 |
|---|
| 4032 | tk_optionMenu $expgui(FobsExtractFrame).d.d entryvar(LBdamp) \ |
|---|
| 4033 | 0 1 2 3 4 5 6 7 8 9 |
|---|
| 4034 | grid $expgui(FobsExtractFrame).d.d -row 0 -column 3 |
|---|
| 4035 | incr row |
|---|
| 4036 | grid rowconfigure $expgui(lsFrame).f1 $row -weight 1 |
|---|
| 4037 | |
|---|
| 4038 | |
|---|
| 4039 | |
|---|
| 4040 | foreach num {1 2 3 4 5 6 7 8 9} { |
|---|
| 4041 | grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num |
|---|
| 4042 | grid [radiobutton $expgui(FobsExtractFrame).cc$num \ |
|---|
| 4043 | -command "HistExtractSet $num" \ |
|---|
| 4044 | -variable expgui(Fextract$num) -value 0] \ |
|---|
| 4045 | -row 2 -column $num |
|---|
| 4046 | grid [radiobutton $expgui(FobsExtractFrame).ca$num \ |
|---|
| 4047 | -command "HistExtractSet $num" \ |
|---|
| 4048 | -variable expgui(Fextract$num) -value 1] \ |
|---|
| 4049 | -row 3 -column $num |
|---|
| 4050 | grid [radiobutton $expgui(FobsExtractFrame).cb$num \ |
|---|
| 4051 | -command "HistExtractSet $num" \ |
|---|
| 4052 | -variable expgui(Fextract$num) -value 2] \ |
|---|
| 4053 | -row 4 -column $num |
|---|
| 4054 | } |
|---|
| 4055 | set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc |
|---|
| 4056 | lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca |
|---|
| 4057 | lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb |
|---|
| 4058 | |
|---|
| 4059 | grid [label $expgui(FobsExtractFrame).t \ |
|---|
| 4060 | -text "Extraction\nMethod" -anchor c] \ |
|---|
| 4061 | -column 0 -row 0 -sticky n |
|---|
| 4062 | grid [label $expgui(FobsExtractFrame).t0 -text "(Phase #)" -anchor c] \ |
|---|
| 4063 | -column 10 -row 1 -sticky w |
|---|
| 4064 | grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2 |
|---|
| 4065 | grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3 |
|---|
| 4066 | grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4 |
|---|
| 4067 | grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3 |
|---|
| 4068 | grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4 |
|---|
| 4069 | |
|---|
| 4070 | proc InitLSvars {} { |
|---|
| 4071 | global expgui |
|---|
| 4072 | set expgui(convg) [set expgui(convinit) [expinfo convg]] |
|---|
| 4073 | set expgui(convlbl) [format %5.2f [expr pow(10,$expgui(convg)/100.)]] |
|---|
| 4074 | set expgui(marq) [set expgui(marqinit) [expinfo marq]] |
|---|
| 4075 | } |
|---|
| 4076 | proc SetConv {x} { |
|---|
| 4077 | global expgui |
|---|
| 4078 | if {$x != $expgui(convinit) && $expgui(changed) <= 0} { |
|---|
| 4079 | incr expgui(changed) |
|---|
| 4080 | } |
|---|
| 4081 | if {$expgui(changed)} {expinfo convg set $x} |
|---|
| 4082 | set expgui(convlbl) [format %5.2f [expr {pow(10,$x/100.)}]] |
|---|
| 4083 | } |
|---|
| 4084 | proc SetMarq {x} { |
|---|
| 4085 | global expgui |
|---|
| 4086 | if {$x != $expgui(marqinit) && $expgui(changed) <= 0} { |
|---|
| 4087 | incr expgui(changed) |
|---|
| 4088 | } |
|---|
| 4089 | if {$expgui(changed)} {expinfo marq set $x} |
|---|
| 4090 | } |
|---|
| 4091 | # ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ |
|---|
| 4092 | #------------------------------------------------------------------------- |
|---|
| 4093 | #------------------------------------------------------------------------- |
|---|
| 4094 | #vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv |
|---|
| 4095 | |
|---|
| 4096 | #---- file menu button |
|---|
| 4097 | menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu |
|---|
| 4098 | menu $expgui(fm).file.menu |
|---|
| 4099 | if $expgui(debug) { |
|---|
| 4100 | $expgui(fm).file.menu add command -label "Reset" -command "reset" |
|---|
| 4101 | } |
|---|
| 4102 | if {$expgui(shell)} { |
|---|
| 4103 | $expgui(fm).file.menu add command -label "Open" -command readnewexp |
|---|
| 4104 | $expgui(fm).file.menu add command -label "expnam" -command readnewexp |
|---|
| 4105 | } |
|---|
| 4106 | $expgui(fm).file.menu add command -label "Save" -underline 0 \ |
|---|
| 4107 | -command savearchiveexp |
|---|
| 4108 | foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]} |
|---|
| 4109 | $expgui(fm).file.menu add command -label "Save As" \ |
|---|
| 4110 | -command "SaveAsFile" |
|---|
| 4111 | $expgui(fm).file.menu add command -label "Reread .EXP file" \ |
|---|
| 4112 | -command {rereadexp $expgui(expfile)} |
|---|
| 4113 | |
|---|
| 4114 | #---- help menu button |
|---|
| 4115 | menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu |
|---|
| 4116 | menu $expgui(fm).help.menu |
|---|
| 4117 | $expgui(fm).help.menu add command -command showhelp -underline 0 \ |
|---|
| 4118 | -label "Help Summary" |
|---|
| 4119 | $expgui(fm).help.menu add command -command MakeWWWHelp \ |
|---|
| 4120 | -label "Help on current pane" |
|---|
| 4121 | $expgui(fm).help.menu add command -command "MakeWWWHelp menu" \ |
|---|
| 4122 | -label "Help on menu" |
|---|
| 4123 | if {![catch {package require tkcon} errmsg]} { |
|---|
| 4124 | $expgui(fm).help.menu add command -label "Open console" \ |
|---|
| 4125 | -command {tkcon show} |
|---|
| 4126 | } elseif {$tcl_platform(platform) == "windows"} { |
|---|
| 4127 | $expgui(fm).help.menu add command -label "Open console" \ |
|---|
| 4128 | -command {console show} |
|---|
| 4129 | } |
|---|
| 4130 | foreach c {h H} {bind . <Alt-$c> [list showhelp]} |
|---|
| 4131 | # define help actions |
|---|
| 4132 | bind . <Key-F1> MakeWWWHelp |
|---|
| 4133 | $expgui(fm).help.menu add command -label "About..." -command About |
|---|
| 4134 | $expgui(fm).help.menu add command -label "Cite..." -command Cite |
|---|
| 4135 | |
|---|
| 4136 | #---- options menu button |
|---|
| 4137 | menubutton $expgui(fm).option -text Options \ |
|---|
| 4138 | -menu $expgui(fm).option.menu |
|---|
| 4139 | menu $expgui(fm).option.menu |
|---|
| 4140 | |
|---|
| 4141 | if {$expgui(shell)} { |
|---|
| 4142 | $expgui(fm).option.menu add checkbutton -label "Archive EXP" \ |
|---|
| 4143 | -variable expgui(archive) |
|---|
| 4144 | $expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \ |
|---|
| 4145 | -variable expgui(disaglSeparateBox) |
|---|
| 4146 | $expgui(fm).option.menu add checkbutton -label "Autoload EXP" \ |
|---|
| 4147 | -variable expgui(autoexpload) |
|---|
| 4148 | $expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \ |
|---|
| 4149 | -variable expgui(autoiconify) |
|---|
| 4150 | if {$tcl_platform(platform) == "windows" && \ |
|---|
| 4151 | $tcl_platform(os) == "Windows 95"} { |
|---|
| 4152 | $expgui(fm).option.menu add checkbutton -label "Autostart GRWND" \ |
|---|
| 4153 | -variable expgui(autoGRWND) |
|---|
| 4154 | } |
|---|
| 4155 | } |
|---|
| 4156 | $expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \ |
|---|
| 4157 | -label "Sort atoms by" |
|---|
| 4158 | |
|---|
| 4159 | set expgui(asorttype) number |
|---|
| 4160 | menu $expgui(fm).option.menu.asort |
|---|
| 4161 | foreach opt {number type mult x y z occupancy} { |
|---|
| 4162 | $expgui(fm).option.menu.asort add radiobutton -command {DisplayAllAtoms $expgui(curPhase)}\ |
|---|
| 4163 | -label $opt -value $opt -variable expgui(asorttype) |
|---|
| 4164 | } |
|---|
| 4165 | |
|---|
| 4166 | $expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \ |
|---|
| 4167 | -label "Sort histograms by" |
|---|
| 4168 | |
|---|
| 4169 | set expgui(hsorttype) number |
|---|
| 4170 | menu $expgui(fm).option.menu.hsort |
|---|
| 4171 | $expgui(fm).option.menu.hsort add radiobutton -command sethistlist \ |
|---|
| 4172 | -label number -value number -variable expgui(hsorttype) |
|---|
| 4173 | $expgui(fm).option.menu.hsort add radiobutton -command sethistlist \ |
|---|
| 4174 | -label "Histogram type" -value type -variable expgui(hsorttype) |
|---|
| 4175 | $expgui(fm).option.menu.hsort add radiobutton -command sethistlist \ |
|---|
| 4176 | -label "Bank #" -value bank -variable expgui(hsorttype) |
|---|
| 4177 | $expgui(fm).option.menu.hsort add radiobutton -command sethistlist \ |
|---|
| 4178 | -label "Angle/Wavelength" -value angle -variable expgui(hsorttype) |
|---|
| 4179 | |
|---|
| 4180 | #---- Global mode menu button |
|---|
| 4181 | $expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \ |
|---|
| 4182 | -label "Multiple hist. selection" |
|---|
| 4183 | menu $expgui(fm).option.menu.editmode |
|---|
| 4184 | $expgui(fm).option.menu.editmode add radiobutton -label "Off" \ |
|---|
| 4185 | -variable expgui(globalmode) -value 0 \ |
|---|
| 4186 | -command sethistlist |
|---|
| 4187 | $expgui(fm).option.menu.editmode add radiobutton -label "All" \ |
|---|
| 4188 | -variable expgui(globalmode) -value 6 \ |
|---|
| 4189 | -command sethistlist |
|---|
| 4190 | $expgui(fm).option.menu.editmode add radiobutton -label "TOF" \ |
|---|
| 4191 | -variable expgui(globalmode) -value 1 \ |
|---|
| 4192 | -command sethistlist |
|---|
| 4193 | $expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \ |
|---|
| 4194 | -variable expgui(globalmode) -value 2 \ |
|---|
| 4195 | -command sethistlist |
|---|
| 4196 | $expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \ |
|---|
| 4197 | -variable expgui(globalmode) -value 3 \ |
|---|
| 4198 | -command sethistlist |
|---|
| 4199 | $expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \ |
|---|
| 4200 | -variable expgui(globalmode) -value 4 \ |
|---|
| 4201 | -command sethistlist |
|---|
| 4202 | $expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \ |
|---|
| 4203 | -variable expgui(globalmode) -value 5 \ |
|---|
| 4204 | -command sethistlist |
|---|
| 4205 | $expgui(fm).option.menu.editmode add separator |
|---|
| 4206 | $expgui(fm).option.menu.editmode add checkbutton \ |
|---|
| 4207 | -label "Group phases together" \ |
|---|
| 4208 | -variable expgui(globalphasemode) \ |
|---|
| 4209 | -command sethistlist |
|---|
| 4210 | |
|---|
| 4211 | set expgui(globalmode) 0 |
|---|
| 4212 | set expgui(globalphasemode) 1 |
|---|
| 4213 | |
|---|
| 4214 | if {$tcl_platform(platform) == "unix"} { |
|---|
| 4215 | $expgui(fm).option.menu add checkbutton -label "Override backspace" \ |
|---|
| 4216 | -variable env(GSASBACKSPACE) |
|---|
| 4217 | } |
|---|
| 4218 | |
|---|
| 4219 | $expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.font \ |
|---|
| 4220 | -label "Screen font" |
|---|
| 4221 | menu $expgui(fm).option.menu.font |
|---|
| 4222 | foreach f {10 11 12 13 14 16 18 20 22} { |
|---|
| 4223 | $expgui(fm).option.menu.font add radiobutton \ |
|---|
| 4224 | -command {SetTkDefaultOptions $expgui(font); ResizeFont .; ResizeNotebook} \ |
|---|
| 4225 | -label $f -value $f -variable expgui(font) -font "Helvetica -$f" |
|---|
| 4226 | } |
|---|
| 4227 | |
|---|
| 4228 | $expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \ |
|---|
| 4229 | -variable expgui(showexptool) |
|---|
| 4230 | $expgui(fm).option.menu add command -label "Save Options" \ |
|---|
| 4231 | -command "SaveOptions" |
|---|
| 4232 | |
|---|
| 4233 | pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm) |
|---|
| 4234 | |
|---|
| 4235 | if {$expgui(shell)} { |
|---|
| 4236 | foreach menu $expgui(menunames) { |
|---|
| 4237 | set m [string tolower $menu] |
|---|
| 4238 | pack [menubutton $expgui(fm).$m -text $menu \ |
|---|
| 4239 | -menu $expgui(fm).$m.menu] -side left |
|---|
| 4240 | menu $expgui(fm).$m.menu |
|---|
| 4241 | } |
|---|
| 4242 | } |
|---|
| 4243 | pack $expgui(fm).help -side right -in $expgui(fm) |
|---|
| 4244 | |
|---|
| 4245 | if {$expgui(shell)} { |
|---|
| 4246 | # add an export command to the last menu that gets filled in later |
|---|
| 4247 | $expgui(fm).$m.menu add cascade -label "Coord Export" \ |
|---|
| 4248 | -menu $expgui(fm).$m.menu.coordexp |
|---|
| 4249 | menu $expgui(fm).$m.menu.coordexp \ |
|---|
| 4250 | -postcommand "BuildCoordExpMenu $expgui(fm).$m.menu.coordexp" |
|---|
| 4251 | $expgui(fm).$m.menu.coordexp add command -label "Building menu" \ |
|---|
| 4252 | -state disabled |
|---|
| 4253 | $expgui(fm).$m.menu.coordexp add command -label "Please wait..." \ |
|---|
| 4254 | -state disabled |
|---|
| 4255 | |
|---|
| 4256 | $expgui(fm).$m.menu add cascade -label "CIF Export" \ |
|---|
| 4257 | -menu $expgui(fm).$m.menu.cifexp |
|---|
| 4258 | menu $expgui(fm).$m.menu.cifexp |
|---|
| 4259 | $expgui(fm).$m.menu.cifexp add command -label gsas2cif \ |
|---|
| 4260 | -command "runGSASwEXP gsas2cif" |
|---|
| 4261 | $expgui(fm).$m.menu.cifexp add command -label FillTemplate \ |
|---|
| 4262 | -command "exec $wishshell [file join $expgui(scriptdir) fillcif.tcl] \[file root \[file tail \$expgui(expfile)]]" |
|---|
| 4263 | $expgui(fm).$m.menu.cifexp add command -label CIFselect \ |
|---|
| 4264 | -command { |
|---|
| 4265 | if {[info procs CIFselect] == ""} { |
|---|
| 4266 | source [file join $expgui(scriptdir) cifselect.tcl] |
|---|
| 4267 | } |
|---|
| 4268 | CIFselect $expgui(expfile) |
|---|
| 4269 | } |
|---|
| 4270 | # add the commands in expgui_menulist |
|---|
| 4271 | foreach menu [array names expgui_menulist ] { |
|---|
| 4272 | foreach cmd $expgui_menulist($menu) { |
|---|
| 4273 | set action {} |
|---|
| 4274 | set opt {} |
|---|
| 4275 | catch {set action [lindex $expgui_cmdlist($cmd) 0]} |
|---|
| 4276 | catch {set opt [lindex $expgui_cmdlist($cmd) 2]} |
|---|
| 4277 | if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"} |
|---|
| 4278 | if {$action != "" && $action != "-"} { |
|---|
| 4279 | eval $expgui(fm).$menu.menu add command \ |
|---|
| 4280 | -label $cmd $opt -command [list [subst $action]] |
|---|
| 4281 | if {[lindex $opt 0] == "-underline"} { |
|---|
| 4282 | catch { |
|---|
| 4283 | set num [lindex $opt 1] |
|---|
| 4284 | set key [string range $cmd $num $num] |
|---|
| 4285 | bind . <Alt-[string tolower $key]> [subst $action] |
|---|
| 4286 | bind . <Alt-[string toupper $key]> [subst $action] |
|---|
| 4287 | } |
|---|
| 4288 | } |
|---|
| 4289 | } |
|---|
| 4290 | } |
|---|
| 4291 | } |
|---|
| 4292 | } |
|---|
| 4293 | # setup command help |
|---|
| 4294 | foreach cmd [array names expgui_cmdlist] { |
|---|
| 4295 | set help {} |
|---|
| 4296 | catch {set help [lindex $expgui_cmdlist($cmd) 1]} |
|---|
| 4297 | if {$help == ""} { |
|---|
| 4298 | if {$expgui(debug)} {puts "no help for $cmd"} |
|---|
| 4299 | } else { |
|---|
| 4300 | # remove |
|---|
| 4301 | regsub -all \x09 $help " " help |
|---|
| 4302 | # preserve blank lines |
|---|
| 4303 | regsub -all \x0A\x0A $help "AAA1234567890AAA" help |
|---|
| 4304 | regsub -all \x0A $help " " help |
|---|
| 4305 | regsub -all "AAA1234567890AAA" $help \x0A\x0A help |
|---|
| 4306 | regsub -all " +" $help " " help |
|---|
| 4307 | set expgui_helplist($cmd) [string trim $help] |
|---|
| 4308 | } |
|---|
| 4309 | } |
|---|
| 4310 | if {$expgui(shell)} { |
|---|
| 4311 | # set up button bar |
|---|
| 4312 | foreach cmd $expgui(buttonlist) { |
|---|
| 4313 | set action {} |
|---|
| 4314 | catch {set action [lindex $expgui_cmdlist($cmd) 0]} |
|---|
| 4315 | if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"} |
|---|
| 4316 | if {$action != ""} { |
|---|
| 4317 | pack [eval button .bar.$cmd -bg beige -activebackground yellow \ |
|---|
| 4318 | -padx 2m -pady 0 \ |
|---|
| 4319 | -text $cmd -command [list [subst $action]]] -side left |
|---|
| 4320 | } |
|---|
| 4321 | } |
|---|
| 4322 | } |
|---|
| 4323 | |
|---|
| 4324 | if {$tcl_platform(os) == "Darwin"} { |
|---|
| 4325 | # $expgui(fm).file.menu add command -label "Create AppleScript" -command MakeAppleScript |
|---|
| 4326 | $expgui(fm).option.menu add checkbutton -label "Assign app to .EXP files" \ |
|---|
| 4327 | -variable expgui(MacAssignApp) |
|---|
| 4328 | } |
|---|
| 4329 | $expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit |
|---|
| 4330 | foreach c {X x} {bind . <Alt-$c> [list catchQuit]} |
|---|
| 4331 | #^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^ |
|---|
| 4332 | |
|---|
| 4333 | # make the phase pane -- this must be done before setphases |
|---|
| 4334 | # can be called (in loadexp) |
|---|
| 4335 | MakePhasePane |
|---|
| 4336 | # and the rest of the windows w/o BWidget |
|---|
| 4337 | if {!$expgui(haveBW)} { |
|---|
| 4338 | MakeHistPane |
|---|
| 4339 | MakeScalingPane |
|---|
| 4340 | MakeProfilePane |
|---|
| 4341 | } |
|---|
| 4342 | |
|---|
| 4343 | # handle indirect exits |
|---|
| 4344 | wm protocol . WM_DELETE_WINDOW catchQuit |
|---|
| 4345 | bind . <Control-c> catchQuit |
|---|
| 4346 | |
|---|
| 4347 | set expgui(pagenow) "" |
|---|
| 4348 | set expgui(curhist) {} |
|---|
| 4349 | set expgui(selectedatomlist) {} |
|---|
| 4350 | |
|---|
| 4351 | loadexp $expgui(expfile) |
|---|
| 4352 | |
|---|
| 4353 | # reset the phase selection |
|---|
| 4354 | set expgui(curPhase) {} |
|---|
| 4355 | # select the first histogram in the list by default (if there are any) |
|---|
| 4356 | if {[llength $expmap(histlistboxcontents)] > 0} { |
|---|
| 4357 | set expgui(curhist) 0 |
|---|
| 4358 | } else { |
|---|
| 4359 | set expgui(curhist) {} |
|---|
| 4360 | } |
|---|
| 4361 | |
|---|
| 4362 | # execute any local commands for final initialization |
|---|
| 4363 | eval $expgui(initstring) |
|---|
| 4364 | |
|---|
| 4365 | # resize the notebook to fit all the tabs and the largest page |
|---|
| 4366 | ResizeNotebook |
|---|
| 4367 | if {$expgui(resize)} { |
|---|
| 4368 | # this appears to be needed by OSX |
|---|
| 4369 | update |
|---|
| 4370 | wm geom . [winfo reqwidth .]x[winfo reqheight .] |
|---|
| 4371 | # center the EXPGUI window |
|---|
| 4372 | wm withdraw . |
|---|
| 4373 | set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ] |
|---|
| 4374 | set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2] |
|---|
| 4375 | wm geom . +$x+$y |
|---|
| 4376 | wm deiconify . |
|---|
| 4377 | } |
|---|
| 4378 | |
|---|
| 4379 | RaisePage lsFrame |
|---|
| 4380 | if {[CountHistory] > 200} { |
|---|
| 4381 | DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI" |
|---|
| 4382 | } |
|---|
