| 1 | #!/usr/local/bin/wish |
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| 2 | # $Id: excledt.tcl 427 2009-12-04 23:05:59Z toby $ |
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| 3 | set Revision {$Revision: 427 $ $Date: 2009-12-04 23:05:59 +0000 (Fri, 04 Dec 2009) $} |
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| 4 | |
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| 5 | # process command line arguments |
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| 6 | set exitstat 0 |
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| 7 | set expnam [lindex $argv 0] |
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| 8 | if {$expnam == ""} {puts "error -- no experiment name"; set exitstat 1} |
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| 9 | if $exitstat { |
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| 10 | puts "usage: $argv0 expnam \[hist #\] \[legend\]" |
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| 11 | destroy . |
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| 12 | } |
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| 13 | |
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| 14 | if {[lindex $argv 1] == ""} { |
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| 15 | set hst 1 |
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| 16 | } else { |
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| 17 | set hst [lindex $argv 1] |
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| 18 | if {[llength $hst] > 1} {set hst [lindex $hst 0]} |
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| 19 | } |
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| 20 | if {[lindex $argv 2] == ""} { |
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| 21 | set graph(legend) 1 |
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| 22 | } else { |
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| 23 | set graph(legend) [lindex $argv 2] |
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| 24 | } |
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| 25 | |
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| 26 | if {$tcl_platform(platform) == "windows"} { |
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| 27 | set graph(printout) 1 |
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| 28 | } else { |
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| 29 | set graph(printout) 0 |
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| 30 | } |
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| 31 | |
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| 32 | # default values |
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| 33 | set graph(exclPrompt) 1 |
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| 34 | set expgui(font) 14 |
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| 35 | set changes 0 |
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| 36 | set graph(outname) out.ps |
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| 37 | set graph(outcmd) lpr |
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| 38 | set graph(color_excl) orange |
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| 39 | set graph(color_calc) red |
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| 40 | set graph(color_obs) black |
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| 41 | set xunits {} |
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| 42 | set yunits {} |
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| 43 | set graph(xunits) 0 |
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| 44 | set graph(yunits) 0 |
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| 45 | set graph(autoraise) 1 |
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| 46 | set graph(FillExclRegionBox) 1 |
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| 47 | set expgui(debug) 0 |
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| 48 | catch {if $env(DEBUG) {set expgui(debug) 1}} |
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| 49 | #set expgui(debug) 1 |
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| 50 | set expgui(autotick) 0 |
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| 51 | # location for web pages, if not found locally |
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| 52 | set expgui(website) www.ncnr.nist.gov/xtal/software/expgui |
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| 53 | set peakinfo(obssym) scross |
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| 54 | set peakinfo(obssize) 1.0 |
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| 55 | set peakinfo(exclsym) scross |
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| 56 | set peakinfo(exclsize) 1.2 |
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| 57 | # create a set of markers for each phase |
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| 58 | for {set i 1} {$i < 10} {incr i} { |
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| 59 | set peakinfo(flag$i) 0 |
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| 60 | set peakinfo(max$i) Inf |
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| 61 | set peakinfo(min$i) -Inf |
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| 62 | set peakinfo(dashes$i) 1 |
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| 63 | } |
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| 64 | |
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| 65 | if [catch {package require BLT} errmsg] { |
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| 66 | tk_dialog .err "BLT Error" "Error -- Unable to load the BLT package" \ |
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| 67 | error 0 Quit |
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| 68 | destroy . |
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| 69 | } |
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| 70 | # handle Tcl/Tk v8+ where BLT is in a namespace |
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| 71 | # use the command so that it is loaded |
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| 72 | catch {blt::graph} |
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| 73 | catch { |
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| 74 | namespace import blt::graph |
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| 75 | namespace import blt::vector |
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| 76 | } |
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| 77 | # old versions of blt don't report a version number |
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| 78 | if [catch {set blt_version}] {set blt_version 0} |
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| 79 | # option for coloring markers: note that GH keeps changing how to do this! |
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| 80 | # also element -mapped => -show |
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| 81 | if {$blt_version < 2.3 || $blt_version >= 8.0} { |
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| 82 | # version 8.0 is ~same as 2.3 |
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| 83 | set graph(MarkerColorOpt) -fg |
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| 84 | # mapped is needed in 8.0, both are OK in 2.3 |
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| 85 | set graph(ElementShowOption) "-mapped 1" |
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| 86 | set graph(ElementHideOption) "-mapped 0" |
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| 87 | } elseif {$blt_version >= 2.4} { |
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| 88 | set graph(MarkerColorOpt) -outline |
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| 89 | set graph(ElementShowOption) "-hide 0" |
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| 90 | set graph(ElementHideOption) "-hide 1" |
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| 91 | } else { |
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| 92 | set graph(MarkerColorOpt) -color |
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| 93 | set graph(ElementShowOption) "-mapped 1" |
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| 94 | set graph(ElementHideOption) "-mapped 0" |
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| 95 | } |
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| 96 | |
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| 97 | #-------------------------------------------------------------- |
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| 98 | # define constants |
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| 99 | array set peakinfo { |
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| 100 | color1 magenta |
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| 101 | color2 cyan |
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| 102 | color3 yellow |
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| 103 | color4 sienna |
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| 104 | color5 orange |
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| 105 | color6 DarkViolet |
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| 106 | color7 HotPink |
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| 107 | color8 salmon |
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| 108 | color9 LimeGreen |
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| 109 | } |
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| 110 | set cycle -1 |
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| 111 | |
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| 112 | #---------------------------------------------------------------- |
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| 113 | # where are we? |
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| 114 | set expgui(script) [info script] |
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| 115 | # translate links -- go six levels deep |
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| 116 | foreach i {1 2 3 4 5 6} { |
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| 117 | if {[file type $expgui(script)] == "link"} { |
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| 118 | set link [file readlink $expgui(script)] |
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| 119 | if { [file pathtype $link] == "absolute" } { |
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| 120 | set expgui(script) $link |
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| 121 | } { |
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| 122 | set expgui(script) [file dirname $expgui(script)]/$link |
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| 123 | } |
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| 124 | } else { |
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| 125 | break |
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| 126 | } |
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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 | proc readdata {box} { |
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| 139 | global expgui expnam |
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| 140 | if [catch { |
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| 141 | set loadtime [time { |
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| 142 | readdata_hst $box |
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| 143 | }] |
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| 144 | if $expgui(debug) { |
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| 145 | tk_dialog .time "Timing info" \ |
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| 146 | "Histogram loading took $loadtime" "" 0 OK |
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| 147 | } |
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| 148 | } errmsg] { |
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| 149 | if $expgui(debug) { |
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| 150 | catch {console show} |
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| 151 | error $errmsg |
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| 152 | } |
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| 153 | $box config -title "Read error" |
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| 154 | tk_dialog .err "Read Error" "Read Error -- $errmsg" \ |
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| 155 | error 0 OK |
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| 156 | update |
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| 157 | } |
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| 158 | $box element show [lsort -decreasing [$box element show]] |
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| 159 | } |
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| 160 | |
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| 161 | proc readdata_hst {box} { |
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| 162 | global expgui expnam reflns graph |
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| 163 | # global lasthst |
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| 164 | global hst peakinfo xunits |
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| 165 | # $box config -title "(Histogram update in progress)" |
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| 166 | update |
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| 167 | # parse the output of a file |
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| 168 | # set lasthst $hst |
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| 169 | # use histdmp for histogram info |
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| 170 | set input [open histdump$hst.inp w] |
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| 171 | puts $input "$expnam" |
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| 172 | puts $input "L" |
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| 173 | puts $input "$hst" |
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| 174 | puts $input "0" |
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| 175 | close $input |
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| 176 | # use hstdmp without an experiment name so that output |
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| 177 | # is not sent to the .LST file |
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| 178 | exec $expgui(gsasexe)/hstdmp < histdump$hst.inp > histdump$hst.out |
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| 179 | set input [open histdump$hst.out r] |
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| 180 | catch {file delete histdump$hst.inp} |
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| 181 | |
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| 182 | # initalize arrays |
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| 183 | set num -1 |
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| 184 | set xlist {} |
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| 185 | set obslist {} |
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| 186 | set calclist {} |
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| 187 | set allxlist {} |
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| 188 | set xunits {} |
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| 189 | set exclistx {} |
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| 190 | set exclistobs {} |
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| 191 | # define a list of reflection positions for each phase |
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| 192 | for {set i 1} {$i < 10} {incr i} { |
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| 193 | set reflns($i) {} |
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| 194 | } |
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| 195 | set i 0 |
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| 196 | while {[gets $input line] >= 0} { |
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| 197 | incr i |
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| 198 | # run update every 200th line |
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| 199 | if {$i > 200} {set i 0; update} |
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| 200 | if [scan $line %d num] { |
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| 201 | if {$num > 0} { |
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| 202 | set Ispec 0 |
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| 203 | set X -999 |
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| 204 | scan [string range $line 8 end] %e%e%e%e \ |
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| 205 | X Iobs Icalc Ispec |
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| 206 | #puts $line |
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| 207 | lappend allxlist $X |
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| 208 | # eliminate excluded points |
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| 209 | if {$Ispec > 0.0 && $X >= 0} { |
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| 210 | lappend xlist $X |
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| 211 | lappend obslist $Iobs |
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| 212 | lappend calclist $Icalc |
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| 213 | } elseif {$X != -999} { |
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| 214 | lappend exclistx $X |
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| 215 | lappend exclistobs $Iobs |
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| 216 | } |
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| 217 | if [regexp {[1-9]} [string range $line 6 7] ph] { |
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| 218 | lappend reflns($ph) $X |
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| 219 | } |
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| 220 | } |
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| 221 | } else { |
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| 222 | regexp {Time|Theta|keV} $line xunits |
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| 223 | } |
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| 224 | } |
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| 225 | close $input |
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| 226 | if {$xunits == "Theta"} {set xunits "2-Theta"} |
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| 227 | # convert the x units, if requested |
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| 228 | if {$graph(xunits) == 1} { |
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| 229 | set xlist [tod $xlist $hst] |
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| 230 | set exclistx [tod $exclistx $hst] |
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| 231 | set xunits d-space |
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| 232 | } elseif {$graph(xunits) == 2} { |
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| 233 | set xlist [toQ $xlist $hst] |
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| 234 | set exclistx [toQ $exclistx $hst] |
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| 235 | set xunits Q |
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| 236 | } |
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| 237 | catch {file delete histdump$hst.out} |
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| 238 | if {[llength $allxlist] > 0} { |
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| 239 | allxvec set $allxlist |
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| 240 | xvec set $xlist |
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| 241 | obsvec set $obslist |
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| 242 | calcvec set $calclist |
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| 243 | diffvec set [obsvec - calcvec] |
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| 244 | exxvec set $exclistx |
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| 245 | exobsvec set $exclistobs |
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| 246 | global obsvec calcvec diffvec |
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| 247 | set maxdiff [set diffvec(max)] |
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| 248 | set cmin [set calcvec(min)] |
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| 249 | set omin [set obsvec(min)] |
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| 250 | set cmax [set calcvec(max)] |
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| 251 | set omax [set obsvec(max)] |
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| 252 | set expgui(min) [expr $omin < $cmin ? $omin : $cmin] |
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| 253 | set expgui(max) [expr $omax > $cmax ? $omax : $cmax] |
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| 254 | set ymin1 [expr $cmin - 1.1*$maxdiff] |
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| 255 | set ymin2 [expr $omin - 1.1*$maxdiff] |
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| 256 | if {$ymin1 < $ymin2} { |
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| 257 | diffvec set [diffvec + $ymin1] |
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| 258 | } { |
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| 259 | diffvec set [diffvec + $ymin2] |
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| 260 | } |
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| 261 | } |
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| 262 | plotdata |
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| 263 | } |
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| 264 | |
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| 265 | # convert x values to d-space |
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| 266 | proc tod {xlist hst} { |
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| 267 | global expmap |
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| 268 | if {[string range $expmap(htype_$hst) 2 2] == "T"} { |
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| 269 | return [toftod $xlist $hst] |
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| 270 | } elseif {[string range $expmap(htype_$hst) 2 2] == "C"} { |
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| 271 | return [tttod $xlist $hst] |
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| 272 | } elseif {[string range $expmap(htype_$hst) 2 2] == "E"} { |
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| 273 | return [engtod $xlist $hst] |
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| 274 | } else { |
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| 275 | return {} |
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| 276 | } |
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| 277 | } |
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| 278 | |
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| 279 | # convert tof to d-space |
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| 280 | proc toftod {toflist hst} { |
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| 281 | set difc [expr {[histinfo $hst difc]/1000.}] |
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| 282 | set difc2 [expr {$difc*$difc}] |
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| 283 | set difa [expr {[histinfo $hst difa]/1000.}] |
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| 284 | set zero [expr {[histinfo $hst zero]/1000.}] |
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| 285 | set ans {} |
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| 286 | foreach tof $toflist { |
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| 287 | if {$tof == 0.} { |
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| 288 | lappend ans 0. |
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| 289 | } elseif {$tof == 1000.} { |
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| 290 | lappend ans 1000. |
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| 291 | } else { |
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| 292 | set td [expr {$tof-$zero}] |
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| 293 | lappend ans [expr {$td*($difc2+$difa*$td)/ \ |
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| 294 | ($difc2*$difc+2.0*$difa*$td)}] |
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| 295 | } |
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| 296 | } |
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| 297 | return $ans |
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| 298 | } |
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| 299 | |
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| 300 | # convert two-theta to d-space |
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| 301 | proc tttod {twotheta hst} { |
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| 302 | set lamo2 [expr {0.5 * [histinfo $hst lam1]}] |
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| 303 | set zero [expr [histinfo $hst zero]/100.] |
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| 304 | set ans {} |
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| 305 | set cnv [expr {acos(0.)/180.}] |
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| 306 | foreach tt $twotheta { |
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| 307 | if {$tt == 0.} { |
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| 308 | lappend ans 99999. |
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| 309 | } elseif {$tt == 1000.} { |
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| 310 | lappend ans 0. |
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| 311 | } else { |
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| 312 | lappend ans [expr {$lamo2 / sin($cnv*($tt-$zero))}] |
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| 313 | } |
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| 314 | } |
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| 315 | return $ans |
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| 316 | } |
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| 317 | # convert energy (edx-ray) to d-space |
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| 318 | # (note that this ignores the zero correction) |
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| 319 | proc engtod {eng hst} { |
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| 320 | set lam [histinfo $hst lam1] |
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| 321 | set zero [histinfo $hst zero] |
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| 322 | set ans {} |
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| 323 | set v [expr {12.398/(2.0*[sind[expr ($lam/2.0)]])}] |
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| 324 | foreach e $eng { |
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| 325 | if {$e == 0.} { |
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| 326 | lappend ans 1000. |
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| 327 | } elseif {$e == 1000.} { |
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| 328 | lappend ans 0. |
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| 329 | } else { |
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| 330 | lappend ans [expr {$v/$e}] |
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| 331 | } |
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| 332 | } |
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| 333 | return $ans |
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| 334 | } |
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| 335 | |
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| 336 | # convert x values to Q |
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| 337 | proc toQ {xlist hst} { |
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| 338 | global expmap |
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| 339 | if {[string range $expmap(htype_$hst) 2 2] == "T"} { |
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| 340 | return [toftoQ $xlist $hst] |
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| 341 | } elseif {[string range $expmap(htype_$hst) 2 2] == "C"} { |
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| 342 | return [tttoQ $xlist $hst] |
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| 343 | } elseif {[string range $expmap(htype_$hst) 2 2] == "E"} { |
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| 344 | return [engtoQ $xlist $hst] |
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| 345 | } else { |
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| 346 | return {} |
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| 347 | } |
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| 348 | } |
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| 349 | # convert tof to Q |
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| 350 | proc toftoQ {toflist hst} { |
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| 351 | set difc [expr {[histinfo $hst difc]/1000.}] |
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| 352 | set difc2 [expr {$difc*$difc}] |
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| 353 | set difa [expr {[histinfo $hst difa]/1000.}] |
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| 354 | set zero [expr {[histinfo $hst zero]/1000.}] |
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| 355 | set 2pi [expr {4.*acos(0.)}] |
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| 356 | set ans {} |
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| 357 | foreach tof $toflist { |
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| 358 | if {$tof == 0.} { |
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| 359 | lappend ans 99999. |
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| 360 | } elseif {$tof == 1000.} { |
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| 361 | lappend ans 0. |
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| 362 | } else { |
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| 363 | set td [expr {$tof-$zero}] |
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| 364 | lappend ans [expr {$2pi * \ |
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| 365 | ($difc2*$difc+2.0*$difa*$td)/($td*($difc2+$difa*$td))}] |
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| 366 | } |
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| 367 | } |
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| 368 | return $ans |
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| 369 | } |
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| 370 | |
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| 371 | # convert two-theta to Q |
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| 372 | proc tttoQ {twotheta hst} { |
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| 373 | set lamo2 [expr {0.5 * [histinfo $hst lam1]}] |
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| 374 | set zero [expr [histinfo $hst zero]/100.] |
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| 375 | set ans {} |
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| 376 | set cnv [expr {acos(0.)/180.}] |
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| 377 | set 2pi [expr {4.*acos(0.)}] |
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| 378 | foreach tt $twotheta { |
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| 379 | if {$tt == 0.} { |
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| 380 | lappend ans 0. |
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| 381 | } elseif {$tt == 1000.} { |
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| 382 | lappend ans 1000. |
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| 383 | } else { |
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| 384 | lappend ans [expr {$2pi * sin($cnv*($tt-$zero)) / $lamo2}] |
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| 385 | } |
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| 386 | } |
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| 387 | return $ans |
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| 388 | } |
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| 389 | # convert energy (edx-ray) to Q |
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| 390 | # (note that this ignores the zero correction) |
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| 391 | proc engtoQ {eng hst} { |
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| 392 | set lam [histinfo $hst lam1] |
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| 393 | set zero [histinfo $hst zero] |
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| 394 | set ans {} |
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| 395 | set v [expr {12.398/(2.0*[sind[expr ($lam/2.0)]])}] |
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| 396 | set 2pi [expr {4.*acos(0.)}] |
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| 397 | foreach e $eng { |
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| 398 | if {$e == 0.} { |
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| 399 | lappend ans 0. |
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| 400 | } elseif {$e == 1000.} { |
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| 401 | lappend ans 1000. |
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| 402 | } else { |
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| 403 | lappend ans [expr {$2pi * $e / $v}] |
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| 404 | } |
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| 405 | } |
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| 406 | return $ans |
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| 407 | } |
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| 408 | proc sind {angle} { |
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| 409 | return [expr {sin($angle*acos(0.)/90.)}] |
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| 410 | } |
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| 411 | |
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| 412 | # convert d-space values to 2theta, TOF or KeV |
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| 413 | proc fromd {dlist hst} { |
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| 414 | global expmap |
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| 415 | if {[string range $expmap(htype_$hst) 2 2] == "T"} { |
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| 416 | set difc [expr {[histinfo $hst difc]/1000.}] |
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| 417 | set difa [expr {[histinfo $hst difa]/1000.}] |
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| 418 | set zero [expr {[histinfo $hst zero]/1000.}] |
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| 419 | set ans {} |
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| 420 | foreach d $dlist { |
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| 421 | if {$d == 0.} { |
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| 422 | lappend ans 0. |
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| 423 | } elseif {$d == 1000.} { |
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| 424 | lappend ans 1000. |
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| 425 | } else { |
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| 426 | lappend ans [expr {$difc*$d + $difa*$d*$d + $zero}] |
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| 427 | } |
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| 428 | } |
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| 429 | return $ans |
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| 430 | } elseif {[string range $expmap(htype_$hst) 2 2] == "C"} { |
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| 431 | set lamo2 [expr {0.5 * [histinfo $hst lam1]}] |
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| 432 | set zero [expr [histinfo $hst zero]/100.] |
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| 433 | set ans {} |
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| 434 | set cnv [expr {180./acos(0.)}] |
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| 435 | foreach d $dlist { |
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| 436 | if {$d == 99999.} { |
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| 437 | lappend ans 0 |
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| 438 | } elseif {$d == 0.} { |
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| 439 | lappend ans 1000. |
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| 440 | } else { |
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| 441 | lappend ans [expr {$cnv*asin($lamo2/$d) + $zero}] |
|---|
| 442 | } |
|---|
| 443 | } |
|---|
| 444 | return $ans |
|---|
| 445 | } elseif {[string range $expmap(htype_$hst) 2 2] == "E"} { |
|---|
| 446 | set lam [histinfo $hst lam1] |
|---|
| 447 | set zero [histinfo $hst zero] |
|---|
| 448 | set v [expr {12.398/(2.0*[sind[expr ($lam/2.0)]])}] |
|---|
| 449 | set ans {} |
|---|
| 450 | foreach d $dlist { |
|---|
| 451 | if {$d == 1000.} { |
|---|
| 452 | lappend ans 0 |
|---|
| 453 | } elseif {$d == 0.} { |
|---|
| 454 | lappend ans 1000. |
|---|
| 455 | } else { |
|---|
| 456 | lappend ans [expr {$v/$d}] |
|---|
| 457 | } |
|---|
| 458 | } |
|---|
| 459 | return $ans |
|---|
| 460 | } else { |
|---|
| 461 | return {} |
|---|
| 462 | } |
|---|
| 463 | } |
|---|
| 464 | |
|---|
| 465 | # convert Q values to 2theta, TOF or KeV |
|---|
| 466 | proc fromQ {Qlist hst} { |
|---|
| 467 | global expmap |
|---|
| 468 | if {[string range $expmap(htype_$hst) 2 2] == "T"} { |
|---|
| 469 | set difc [expr {[histinfo $hst difc]/1000.}] |
|---|
| 470 | set difa [expr {[histinfo $hst difa]/1000.}] |
|---|
| 471 | set zero [expr {[histinfo $hst zero]/1000.}] |
|---|
| 472 | set ans {} |
|---|
| 473 | foreach Q $Qlist { |
|---|
| 474 | if {$Q == 0.} { |
|---|
| 475 | lappend ans 1000. |
|---|
| 476 | } elseif {$Q == 99999.} { |
|---|
| 477 | lappend ans 1000. |
|---|
| 478 | } else { |
|---|
| 479 | set d [expr {4.*acos(0.)/$Q}] |
|---|
| 480 | lappend ans [expr {$difc*$d + $difa*$d*$d + $zero}] |
|---|
| 481 | } |
|---|
| 482 | } |
|---|
| 483 | return $ans |
|---|
| 484 | } elseif {[string range $expmap(htype_$hst) 2 2] == "C"} { |
|---|
| 485 | set lamo4pi [expr {[histinfo $hst lam1]/(8.*acos(0.))}] |
|---|
| 486 | set zero [expr [histinfo $hst zero]/100.] |
|---|
| 487 | set ans {} |
|---|
| 488 | set cnv [expr {180./acos(0.)}] |
|---|
| 489 | foreach Q $Qlist { |
|---|
| 490 | if {$Q == 0.} { |
|---|
| 491 | lappend ans 0 |
|---|
| 492 | } elseif {$Q == 1000.} { |
|---|
| 493 | lappend ans 1000. |
|---|
| 494 | } else { |
|---|
| 495 | lappend ans [expr {$cnv*asin($Q*$lamo4pi) + $zero}] |
|---|
| 496 | } |
|---|
| 497 | } |
|---|
| 498 | return $ans |
|---|
| 499 | } elseif {[string range $expmap(htype_$hst) 2 2] == "E"} { |
|---|
| 500 | set lam [histinfo $hst lam1] |
|---|
| 501 | set zero [histinfo $hst zero] |
|---|
| 502 | set v [expr {12.398/(2.0*[sind[expr ($lam/2.0)]])}] |
|---|
| 503 | set ans {} |
|---|
| 504 | set 2pi [expr {4.*acos(0.)}] |
|---|
| 505 | foreach Q $Qlist { |
|---|
| 506 | if {$Q == 1000.} { |
|---|
| 507 | lappend ans 0 |
|---|
| 508 | } elseif {$Q == 0.} { |
|---|
| 509 | lappend ans 1000. |
|---|
| 510 | } else { |
|---|
| 511 | lappend ans [expr {$Q * $v/$2pi}] |
|---|
| 512 | } |
|---|
| 513 | } |
|---|
| 514 | return $ans |
|---|
| 515 | } else { |
|---|
| 516 | return {} |
|---|
| 517 | } |
|---|
| 518 | } |
|---|
| 519 | |
|---|
| 520 | proc plotdata {args} { |
|---|
| 521 | global box |
|---|
| 522 | global expnam hst peakinfo xunits yunits cycle reflns |
|---|
| 523 | global graph expgui |
|---|
| 524 | |
|---|
| 525 | $box config -title "$expnam cycle $cycle Hist $hst" |
|---|
| 526 | $box xaxis config -title $xunits |
|---|
| 527 | $box yaxis config -title $yunits |
|---|
| 528 | setlegend $box $graph(legend) |
|---|
| 529 | # reconfigure the data display |
|---|
| 530 | $box element configure 3 \ |
|---|
| 531 | -symbol $peakinfo(obssym) -color $graph(color_obs) \ |
|---|
| 532 | -pixels [expr 0.125 * $peakinfo(obssize)]i |
|---|
| 533 | $box element config 2 -color $graph(color_calc) |
|---|
| 534 | $box element config 12 \ |
|---|
| 535 | -symbol $peakinfo(exclsym) -color $graph(color_excl) \ |
|---|
| 536 | -pixels [expr 0.125 * $peakinfo(exclsize)]i |
|---|
| 537 | |
|---|
| 538 | foreach vec {xvec obsvec calcvec diffvec exxvec exobsvec} { |
|---|
| 539 | $vec notify now |
|---|
| 540 | } |
|---|
| 541 | # now deal with tick marks |
|---|
| 542 | for {set i 1} {$i < 10} {incr i} { |
|---|
| 543 | if {$expgui(autotick)} { |
|---|
| 544 | set div [expr ( $expgui(max) - $expgui(min) )/40.] |
|---|
| 545 | set ymin [expr $expgui(min) - ($i+1) * $div] |
|---|
| 546 | set ymax [expr $expgui(min) - $i * $div] |
|---|
| 547 | } else { |
|---|
| 548 | set ymin $peakinfo(min$i) |
|---|
| 549 | set ymax $peakinfo(max$i) |
|---|
| 550 | } |
|---|
| 551 | set j 0 |
|---|
| 552 | if [set peakinfo(flag$i)] { |
|---|
| 553 | if {$graph(xunits) == 1} { |
|---|
| 554 | set Xlist [tod $reflns($i) $hst] |
|---|
| 555 | } elseif {$graph(xunits) == 2} { |
|---|
| 556 | set Xlist [toQ $reflns($i) $hst] |
|---|
| 557 | } else { |
|---|
| 558 | set Xlist $reflns($i) |
|---|
| 559 | } |
|---|
| 560 | foreach X $Xlist { |
|---|
| 561 | incr j |
|---|
| 562 | catch { |
|---|
| 563 | $box marker create line -name peaks${i}_$j |
|---|
| 564 | } |
|---|
| 565 | $box marker config peaks${i}_$j -under 1 \ |
|---|
| 566 | -coords "$X $ymin $X $ymax" |
|---|
| 567 | catch { |
|---|
| 568 | $box marker config peaks${i}_$j \ |
|---|
| 569 | $graph(MarkerColorOpt) [list $peakinfo(color$i)] |
|---|
| 570 | if $peakinfo(dashes$i) { |
|---|
| 571 | $box marker config peaks${i}_$j -dashes "5 5" |
|---|
| 572 | } |
|---|
| 573 | } |
|---|
| 574 | } |
|---|
| 575 | catch {$box element create phase$i} |
|---|
| 576 | catch { |
|---|
| 577 | $box element config phase$i -color $peakinfo(color$i) |
|---|
| 578 | } |
|---|
| 579 | } else { |
|---|
| 580 | eval $box marker delete [$box marker names peaks${i}_*] |
|---|
| 581 | eval $box element delete [$box element names phase$i] |
|---|
| 582 | } |
|---|
| 583 | } |
|---|
| 584 | # force an update of the plot as BLT may not |
|---|
| 585 | $box config -title [$box cget -title] |
|---|
| 586 | update |
|---|
| 587 | } |
|---|
| 588 | |
|---|
| 589 | proc setlegend {box legend} { |
|---|
| 590 | global blt_version |
|---|
| 591 | if {$blt_version >= 2.3 && $blt_version < 8.0} { |
|---|
| 592 | if $legend { |
|---|
| 593 | $box legend config -hide no |
|---|
| 594 | } else { |
|---|
| 595 | $box legend config -hide yes |
|---|
| 596 | } |
|---|
| 597 | } else { |
|---|
| 598 | if $legend { |
|---|
| 599 | $box legend config -mapped yes |
|---|
| 600 | } else { |
|---|
| 601 | $box legend config -mapped no |
|---|
| 602 | } |
|---|
| 603 | } |
|---|
| 604 | } |
|---|
| 605 | |
|---|
| 606 | proc minioptionsbox {num} { |
|---|
| 607 | global blt_version tcl_platform peakinfo expgui |
|---|
| 608 | set bx .opt$num |
|---|
| 609 | catch {destroy $bx} |
|---|
| 610 | toplevel $bx |
|---|
| 611 | wm iconname $bx "Phase $num options" |
|---|
| 612 | wm title $bx "Phase $num options" |
|---|
| 613 | |
|---|
| 614 | set i $num |
|---|
| 615 | pack [label $bx.0 -text "Phase $i reflns" ] -side top |
|---|
| 616 | pack [checkbutton $bx.1 -text "Show reflections" \ |
|---|
| 617 | -variable peakinfo(flag$i)] -side top |
|---|
| 618 | # remove option that does not work |
|---|
| 619 | if {$blt_version != 8.0 || $tcl_platform(platform) != "windows"} { |
|---|
| 620 | pack [checkbutton $bx.2 -text "Use dashed line" \ |
|---|
| 621 | -variable peakinfo(dashes$i)] -side top |
|---|
| 622 | } |
|---|
| 623 | if !$expgui(autotick) { |
|---|
| 624 | pack [frame $bx.p$i -bd 2 -relief groove] -side top |
|---|
| 625 | # pack [checkbutton $bx.p$i.0 -text "Show phase $i reflns" \ |
|---|
| 626 | # -variable peakinfo(flag$i)] -side left -anchor w |
|---|
| 627 | pack [label $bx.p$i.1 -text " Y min:"] -side left |
|---|
| 628 | pack [entry $bx.p$i.2 -textvariable peakinfo(min$i) -width 5] \ |
|---|
| 629 | -side left |
|---|
| 630 | pack [label $bx.p$i.3 -text " Y max:"] -side left |
|---|
| 631 | pack [entry $bx.p$i.4 -textvariable peakinfo(max$i) -width 5] \ |
|---|
| 632 | -side left |
|---|
| 633 | } |
|---|
| 634 | pack [frame $bx.c$i -bd 2 -relief groove] -side top |
|---|
| 635 | |
|---|
| 636 | pack [label $bx.c$i.5 -text " color:"] -side left |
|---|
| 637 | pack [entry $bx.c$i.6 -textvariable peakinfo(color$i) -width 12] \ |
|---|
| 638 | -side left |
|---|
| 639 | pack [button $bx.c$i.2 -bg $peakinfo(color$i) -state disabled] -side left |
|---|
| 640 | pack [button $bx.c$i.1 -text "Color\nmenu" \ |
|---|
| 641 | -command "setcolor $i"] -side left |
|---|
| 642 | pack [frame $bx.b] -side top |
|---|
| 643 | pack [button $bx.b.4 -command "destroy $bx" -text Close ] -side right |
|---|
| 644 | } |
|---|
| 645 | |
|---|
| 646 | proc setcolor {num} { |
|---|
| 647 | global peakinfo |
|---|
| 648 | set color [tk_chooseColor -initialcolor $peakinfo(color$num) -title "Choose color"] |
|---|
| 649 | if {$color == ""} return |
|---|
| 650 | set peakinfo(color$num) $color |
|---|
| 651 | } |
|---|
| 652 | |
|---|
| 653 | proc makepostscriptout {} { |
|---|
| 654 | global graph box |
|---|
| 655 | if !$graph(printout) { |
|---|
| 656 | set out [open "| $graph(outcmd) >& plot.msg" w] |
|---|
| 657 | catch { |
|---|
| 658 | puts $out [$box postscript output -landscape 1 \ |
|---|
| 659 | -decorations no -height 7.i -width 9.5i] |
|---|
| 660 | close $out |
|---|
| 661 | } msg |
|---|
| 662 | catch { |
|---|
| 663 | set out [open plot.msg r] |
|---|
| 664 | if {$msg != ""} {append msg "\n"} |
|---|
| 665 | append msg [read $out] |
|---|
| 666 | close $out |
|---|
| 667 | catch {file delete plot.msg} |
|---|
| 668 | } |
|---|
| 669 | if {$msg != ""} { |
|---|
| 670 | tk_dialog .msg "file created" \ |
|---|
| 671 | "Postscript file processed with command \ |
|---|
| 672 | $graph(outcmd). Result: $msg" "" 0 OK |
|---|
| 673 | } else { |
|---|
| 674 | tk_dialog .msg "file created" \ |
|---|
| 675 | "Postscript file processed with command \ |
|---|
| 676 | $graph(outcmd)" "" 0 OK |
|---|
| 677 | } |
|---|
| 678 | } else { |
|---|
| 679 | $box postscript output $graph(outname) -landscape 1 \ |
|---|
| 680 | -decorations no -height 7.i -width 9.5i |
|---|
| 681 | tk_dialog .msg "file created" \ |
|---|
| 682 | "Postscript file $graph(outname) created" "" 0 OK |
|---|
| 683 | } |
|---|
| 684 | } |
|---|
| 685 | |
|---|
| 686 | proc setprintopt {page} { |
|---|
| 687 | global graph |
|---|
| 688 | if $graph(printout) { |
|---|
| 689 | $page.4.1 config -fg black |
|---|
| 690 | $page.4.2 config -fg black -state normal |
|---|
| 691 | $page.6.1 config -fg #888 |
|---|
| 692 | $page.6.2 config -fg #888 -state disabled |
|---|
| 693 | } else { |
|---|
| 694 | $page.4.1 config -fg #888 |
|---|
| 695 | $page.4.2 config -fg #888 -state disabled |
|---|
| 696 | $page.6.1 config -fg black |
|---|
| 697 | $page.6.2 config -fg black -state normal |
|---|
| 698 | } |
|---|
| 699 | } |
|---|
| 700 | |
|---|
| 701 | proc setpostscriptout {} { |
|---|
| 702 | global graph tcl_platform |
|---|
| 703 | set box .out |
|---|
| 704 | catch {destroy $box} |
|---|
| 705 | toplevel $box |
|---|
| 706 | focus $box |
|---|
| 707 | pack [frame $box.4] -side top -anchor w -fill x |
|---|
| 708 | pack [checkbutton $box.4.a -text "Write PostScript files" \ |
|---|
| 709 | -variable graph(printout) -offvalue 0 -onvalue 1 \ |
|---|
| 710 | -command "setprintopt $box"] -side left -anchor w |
|---|
| 711 | pack [entry $box.4.2 -textvariable graph(outname)] -side right -anchor w |
|---|
| 712 | pack [label $box.4.1 -text "PostScript file name:"] -side right -anchor w |
|---|
| 713 | pack [frame $box.6] -side top -anchor w -fill x |
|---|
| 714 | pack [checkbutton $box.6.a -text "Print PostScript files" \ |
|---|
| 715 | -variable graph(printout) -offvalue 1 -onvalue 0 \ |
|---|
| 716 | -command "setprintopt $box" ] -side left -anchor w |
|---|
| 717 | pack [entry $box.6.2 -textvariable graph(outcmd)] -side right -anchor w |
|---|
| 718 | pack [label $box.6.1 -text "Command to print files:"] -side right -anchor w |
|---|
| 719 | |
|---|
| 720 | pack [button $box.a -text "Close" -command "destroy $box"] -side top |
|---|
| 721 | if {$tcl_platform(platform) == "windows"} { |
|---|
| 722 | set graph(printout) 1 |
|---|
| 723 | $box.4.a config -state disabled |
|---|
| 724 | $box.6.a config -fg #888 -state disabled |
|---|
| 725 | } |
|---|
| 726 | setprintopt $box |
|---|
| 727 | } |
|---|
| 728 | |
|---|
| 729 | proc getsymopts {"sym obs"} { |
|---|
| 730 | global expgui peakinfo |
|---|
| 731 | set box .out |
|---|
| 732 | catch {destroy $box} |
|---|
| 733 | toplevel $box |
|---|
| 734 | focus $box |
|---|
| 735 | wm title .out "set $sym symbol" |
|---|
| 736 | pack [frame $box.d] -side left -anchor n |
|---|
| 737 | pack [label $box.d.t -text "Symbol type"] -side top |
|---|
| 738 | set expgui(sym) $peakinfo(${sym}sym) |
|---|
| 739 | set expgui(size) $peakinfo(${sym}size) |
|---|
| 740 | foreach symbol {square circle diamond plus cross \ |
|---|
| 741 | splus scross} \ |
|---|
| 742 | symbol_name {square circle diamond plus cross \ |
|---|
| 743 | thin-plus thin-cross} { |
|---|
| 744 | pack [radiobutton $box.d.$symbol \ |
|---|
| 745 | -text $symbol_name -variable expgui(sym) \ |
|---|
| 746 | -value $symbol] -side top -anchor w |
|---|
| 747 | } |
|---|
| 748 | pack [frame $box.e] -side left -anchor n -fill y |
|---|
| 749 | pack [label $box.e.l -text "Symbol Size"] -side top |
|---|
| 750 | pack [scale $box.e.s -variable expgui(size) \ |
|---|
| 751 | -from .1 -to 3 -resolution 0.05] -side top |
|---|
| 752 | pack [frame $box.a] -side bottom |
|---|
| 753 | pack [button $box.a.1 -text "Apply" -command "setsymopts $sym"] -side left |
|---|
| 754 | pack [button $box.a.2 -text "Close" -command "destroy $box"] -side left |
|---|
| 755 | } |
|---|
| 756 | proc setsymopts {sym} { |
|---|
| 757 | global peakinfo expgui |
|---|
| 758 | if {$peakinfo(${sym}sym) != $expgui(sym)} {set peakinfo(${sym}sym) $expgui(sym)} |
|---|
| 759 | if {$peakinfo(${sym}size) != $expgui(size)} {set peakinfo(${sym}size) $expgui(size)} |
|---|
| 760 | } |
|---|
| 761 | |
|---|
| 762 | # save some of the global options in ~/.gsas_config |
|---|
| 763 | proc SaveOptions {} { |
|---|
| 764 | global graph expgui peakinfo |
|---|
| 765 | set fp [open [file join ~ .gsas_config] a] |
|---|
| 766 | foreach v {printout legend outname outcmd autoraise color_excl \ |
|---|
| 767 | color_obs color_calc} { |
|---|
| 768 | puts $fp "set graph($v) $graph($v)" |
|---|
| 769 | } |
|---|
| 770 | foreach v {obssym obssize exclsym exclsize} { |
|---|
| 771 | puts $fp "set peakinfo($v) $peakinfo($v)" |
|---|
| 772 | } |
|---|
| 773 | puts $fp "set expgui(font) $expgui(font)" |
|---|
| 774 | puts $fp "set expgui(autotick) $expgui(autotick)" |
|---|
| 775 | close $fp |
|---|
| 776 | } |
|---|
| 777 | |
|---|
| 778 | proc about {} { |
|---|
| 779 | global Revision |
|---|
| 780 | tk_dialog .warn About " |
|---|
| 781 | GSAS\n\ |
|---|
| 782 | A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\ |
|---|
| 783 | EXCLEDT\nB. Toby, NIST\nNot subject to copyright\n\n\ |
|---|
| 784 | $Revision\n\ |
|---|
| 785 | " {} 0 OK |
|---|
| 786 | } |
|---|
| 787 | |
|---|
| 788 | proc getcycle {} { |
|---|
| 789 | global expnam |
|---|
| 790 | set cycle -1 |
|---|
| 791 | catch { |
|---|
| 792 | set fp [open $expnam.EXP r] |
|---|
| 793 | set text [read $fp] |
|---|
| 794 | close $fp |
|---|
| 795 | regexp {GNLS RUN.*Total cycles run *([0-9]*) } $text x cycle |
|---|
| 796 | } |
|---|
| 797 | return $cycle |
|---|
| 798 | } |
|---|
| 799 | |
|---|
| 800 | proc updateplot {} { |
|---|
| 801 | global cycle expnam env tcl_platform graph hst box |
|---|
| 802 | $box config -title "Please wait: loading histogram $hst" |
|---|
| 803 | exxvec set {} |
|---|
| 804 | exobsvec set {} |
|---|
| 805 | exxvec notify now |
|---|
| 806 | exobsvec notify now |
|---|
| 807 | eval .g marker delete [.g marker names] |
|---|
| 808 | |
|---|
| 809 | # are we in windows and are "locked?" If not, OK to update |
|---|
| 810 | if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} { |
|---|
| 811 | .g config -title "(Experiment directory locked)" |
|---|
| 812 | # check again in a second |
|---|
| 813 | after 1000 updateplot |
|---|
| 814 | } else { |
|---|
| 815 | set cycle [getcycle] |
|---|
| 816 | readdata .g |
|---|
| 817 | if {$tcl_platform(platform) == "windows" && $graph(autoraise)} { |
|---|
| 818 | # raise does not seem to be global in Windows, |
|---|
| 819 | # but this works in Win-95 |
|---|
| 820 | # nothing seems to work in Win-NT |
|---|
| 821 | wm withdraw . |
|---|
| 822 | wm deiconify . |
|---|
| 823 | } elseif {$graph(autoraise)} { |
|---|
| 824 | raise . |
|---|
| 825 | } |
|---|
| 826 | } |
|---|
| 827 | ShowExlMarks |
|---|
| 828 | $box element config 3 -color $graph(color_obs) |
|---|
| 829 | $box element config 2 -color $graph(color_calc) |
|---|
| 830 | $box element config 12 -color $graph(color_excl) |
|---|
| 831 | foreach vec {xvec obsvec calcvec diffvec exxvec exobsvec} { |
|---|
| 832 | $vec notify now |
|---|
| 833 | } |
|---|
| 834 | FillExclRegionBox |
|---|
| 835 | global cycle expnam |
|---|
| 836 | $box config -title "$expnam cycle $cycle Hist $hst" |
|---|
| 837 | } |
|---|
| 838 | |
|---|
| 839 | proc ShowExlMarks {} { |
|---|
| 840 | global hst graph |
|---|
| 841 | eval .g marker delete [.g marker names excl*] |
|---|
| 842 | set exclist [histinfo $hst excl] |
|---|
| 843 | set i 0 |
|---|
| 844 | foreach rng $exclist { |
|---|
| 845 | if {$graph(xunits) == 1} { |
|---|
| 846 | set rng [tod $rng $hst] |
|---|
| 847 | } elseif {$graph(xunits) == 2} { |
|---|
| 848 | set rng [toQ $rng $hst] |
|---|
| 849 | } |
|---|
| 850 | set x1 [lindex [lsort -real $rng] 0] |
|---|
| 851 | set x2 [lindex [lsort -real $rng] end] |
|---|
| 852 | .g marker create line -under 1 -name excl[incr i] \ |
|---|
| 853 | -coords "$x1 -Inf $x2 -Inf" \ |
|---|
| 854 | -outline $graph(color_excl) -linewidth 3 |
|---|
| 855 | # copy any points that should be excluded |
|---|
| 856 | set l [lsort -integer [xvec search $x1 $x2]] |
|---|
| 857 | if {$l != ""} { |
|---|
| 858 | set n1 [lindex $l 0] |
|---|
| 859 | set n2 [lindex $l end] |
|---|
| 860 | exxvec append [xvec range $n1 $n2] |
|---|
| 861 | exobsvec append [obsvec range $n1 $n2] |
|---|
| 862 | } |
|---|
| 863 | } |
|---|
| 864 | } |
|---|
| 865 | |
|---|
| 866 | # change the binding of the mouse, based on the selected mode |
|---|
| 867 | proc exclEditMode {b bb} { |
|---|
| 868 | global zoom box |
|---|
| 869 | # get binding |
|---|
| 870 | set bindtag $box |
|---|
| 871 | catch { |
|---|
| 872 | if {[bind bltZoomGraph] != ""} { |
|---|
| 873 | set bindtag bltZoomGraph |
|---|
| 874 | } |
|---|
| 875 | } |
|---|
| 876 | # save the zoom and unzoom commands |
|---|
| 877 | if [catch {set zoom(in)}] { |
|---|
| 878 | set zoom(in) [bind $bindtag <1>] |
|---|
| 879 | set zoom(out) [bind $bindtag <3>] |
|---|
| 880 | } |
|---|
| 881 | foreach c {1 2 3} { |
|---|
| 882 | if {$c == $b} { |
|---|
| 883 | $bb.l.b$c config -relief sunken |
|---|
| 884 | } else { |
|---|
| 885 | $bb.l.b$c config -relief raised |
|---|
| 886 | } |
|---|
| 887 | } |
|---|
| 888 | |
|---|
| 889 | # reset previous mode; if in the middle |
|---|
| 890 | if {[string trim [bind $box <Motion>]] != ""} { |
|---|
| 891 | if {[lindex [bind $box <Motion>] 0] == "exclMove"} { |
|---|
| 892 | exclReset $bindtag |
|---|
| 893 | } else { |
|---|
| 894 | blt::ResetZoom $box |
|---|
| 895 | } |
|---|
| 896 | } |
|---|
| 897 | if {$b == 2} { |
|---|
| 898 | bind $bindtag <1> "exclAdd $bindtag %x %y" |
|---|
| 899 | .g config -cursor arrow |
|---|
| 900 | } elseif {$b == 3} { |
|---|
| 901 | bind $bindtag <1> "exclDel $bindtag %x %y" |
|---|
| 902 | .g config -cursor circle |
|---|
| 903 | } else { |
|---|
| 904 | bind $bindtag <1> $zoom(in) |
|---|
| 905 | bind $bindtag <3> $zoom(out) |
|---|
| 906 | .g config -cursor crosshair |
|---|
| 907 | } |
|---|
| 908 | } |
|---|
| 909 | |
|---|
| 910 | proc exclDel {bindtag x y} { |
|---|
| 911 | global graph box changes hst |
|---|
| 912 | set x1 [$box xaxis invtransform $x] |
|---|
| 913 | if {$graph(xunits) == 1} { |
|---|
| 914 | set x1 [fromd $x1 $hst] |
|---|
| 915 | } elseif {$graph(xunits) == 2} { |
|---|
| 916 | set x1 [fromQ $x1 $hst] |
|---|
| 917 | } |
|---|
| 918 | set exclist [histinfo $hst excl] |
|---|
| 919 | # don't delete the high or low ranges |
|---|
| 920 | if {$x1 <= [lindex [lindex $exclist 0] 1] || \ |
|---|
| 921 | $x1 >= [lindex [lindex $exclist end] 0]} { |
|---|
| 922 | bell |
|---|
| 923 | return |
|---|
| 924 | } |
|---|
| 925 | set newlist {} |
|---|
| 926 | set msg "" |
|---|
| 927 | foreach rng $exclist { |
|---|
| 928 | if {$x1 < [lindex $rng 0] || $x1 > [lindex $rng 1]} { |
|---|
| 929 | lappend newlist $rng |
|---|
| 930 | } else { |
|---|
| 931 | if {$graph(xunits) == 1} { |
|---|
| 932 | set drng [tod $rng $hst] |
|---|
| 933 | set msg "Delete excluded region from " |
|---|
| 934 | append msg "[format %.5f [lindex $drng 1]] A " |
|---|
| 935 | append msg "to [format %.5f [lindex $drng 0]] A?" |
|---|
| 936 | } elseif {$graph(xunits) == 2} { |
|---|
| 937 | set qrng [toQ $rng $hst] |
|---|
| 938 | set msg "Delete excluded region from " |
|---|
| 939 | append msg "[format %.5f [lindex $qrng 0]] A-1 " |
|---|
| 940 | append msg "to [format %.5f [lindex $qrng 1]] A-1?" |
|---|
| 941 | } else { |
|---|
| 942 | set msg "Delete excluded region from [lindex $rng 0] to [lindex $rng 1]?" |
|---|
| 943 | } |
|---|
| 944 | global graph |
|---|
| 945 | if {$graph(exclPrompt)} { |
|---|
| 946 | set ans [MyMessageBox -parent . -message $msg \ |
|---|
| 947 | -title "Delete region" -type okcancel] |
|---|
| 948 | } else { |
|---|
| 949 | set ans ok |
|---|
| 950 | } |
|---|
| 951 | if {$ans == "ok"} { |
|---|
| 952 | incr changes |
|---|
| 953 | } else { |
|---|
| 954 | lappend newlist $rng |
|---|
| 955 | } |
|---|
| 956 | } |
|---|
| 957 | } |
|---|
| 958 | if {[llength $newlist] == [llength $exclist]} { |
|---|
| 959 | if {$msg == ""} bell |
|---|
| 960 | } else { |
|---|
| 961 | histinfo $hst excl set $newlist |
|---|
| 962 | updateplot |
|---|
| 963 | } |
|---|
| 964 | } |
|---|
| 965 | |
|---|
| 966 | proc exclAdd {bindtag x y} { |
|---|
| 967 | global graph box |
|---|
| 968 | bind $box <Motion> "exclMove $bindtag %x %y" |
|---|
| 969 | bind $bindtag <1> "exclDone $bindtag %x %y" |
|---|
| 970 | bind $bindtag <3> "exclReset $bindtag" |
|---|
| 971 | set graph(excl-x1) [$box xaxis invtransform $x] |
|---|
| 972 | .g marker create text -name AddExclLbl -text "Adding\nRegion" \ |
|---|
| 973 | -bg yellow -coords "+Inf +Inf" -anchor ne |
|---|
| 974 | } |
|---|
| 975 | |
|---|
| 976 | proc exclReset {bindtag} { |
|---|
| 977 | global box |
|---|
| 978 | bind $box <Motion> {} |
|---|
| 979 | $box marker delete exclShade |
|---|
| 980 | bind $bindtag <1> "exclAdd $bindtag %x %y" |
|---|
| 981 | .g marker delete AddExclLbl |
|---|
| 982 | } |
|---|
| 983 | |
|---|
| 984 | proc exclMove {bindtag x y} { |
|---|
| 985 | global graph box |
|---|
| 986 | set x1 $graph(excl-x1) |
|---|
| 987 | set x2 [$box xaxis invtransform $x] |
|---|
| 988 | if { ![$box marker exists "exclShade"] } { |
|---|
| 989 | $box marker create polygon -name "exclShade" -under 1 -fill yellow |
|---|
| 990 | } |
|---|
| 991 | $box marker configure "exclShade" \ |
|---|
| 992 | -coords "$x1 -Inf $x1 +Inf $x2 +Inf $x2 -Inf" |
|---|
| 993 | } |
|---|
| 994 | |
|---|
| 995 | proc exclDone {bindtag x y} { |
|---|
| 996 | global box graph hst |
|---|
| 997 | bind $box <Motion> {} |
|---|
| 998 | bind $bindtag <1> "exclAdd $bindtag %x %y" |
|---|
| 999 | set x1 $graph(excl-x1) |
|---|
| 1000 | set x2 [$box xaxis invtransform $x] |
|---|
| 1001 | if {$graph(xunits) == 1} { |
|---|
| 1002 | set x1 [fromd $x1 $hst] |
|---|
| 1003 | set x2 [fromd $x2 $hst] |
|---|
| 1004 | } elseif {$graph(xunits) == 2} { |
|---|
| 1005 | set x1 [fromQ $x1 $hst] |
|---|
| 1006 | set x2 [fromQ $x2 $hst] |
|---|
| 1007 | } |
|---|
| 1008 | catch { |
|---|
| 1009 | $box marker delete "exclShade" |
|---|
| 1010 | } |
|---|
| 1011 | .g marker delete AddExclLbl |
|---|
| 1012 | # get the points in the range |
|---|
| 1013 | set l [lsort -integer [allxvec search $x1 $x2]] |
|---|
| 1014 | if {[llength $l] == 0} return |
|---|
| 1015 | set p1 [allxvec index [set n1 [lindex $l 0]]] |
|---|
| 1016 | set p2 [allxvec index [set n2 [lindex $l end]]] |
|---|
| 1017 | if {$graph(xunits) == 1} { |
|---|
| 1018 | set d1 [tod $p1 $hst] |
|---|
| 1019 | set d2 [tod $p2 $hst] |
|---|
| 1020 | set msg "Exclude data from " |
|---|
| 1021 | append msg "[format %.5f $d2] A to [format %.5f $d1] A" |
|---|
| 1022 | append msg " ([expr $n2-$n1+1] points)?" |
|---|
| 1023 | set coords "$d2 -Inf $d1 -Inf" |
|---|
| 1024 | set l [lsort -integer [xvec search $d1 $d2]] |
|---|
| 1025 | } elseif {$graph(xunits) == 2} { |
|---|
| 1026 | set q1 [toQ $p1 $hst] |
|---|
| 1027 | set q2 [toQ $p2 $hst] |
|---|
| 1028 | set msg "Exclude data from " |
|---|
| 1029 | append msg "[format %.5f $q1] A-1 to [format %.5f $q2] A-1" |
|---|
| 1030 | append msg " ([expr $n2-$n1+1] points)?" |
|---|
| 1031 | set coords "$q1 -Inf $q2 -Inf" |
|---|
| 1032 | set l [lsort -integer [xvec search $q1 $q2]] |
|---|
| 1033 | } else { |
|---|
| 1034 | set msg "Exclude data from " |
|---|
| 1035 | append msg "[format %.5f $p1] to [format %.5f $p2]" |
|---|
| 1036 | append msg " ([expr $n2-$n1+1] points)?" |
|---|
| 1037 | set coords "$p1 -Inf $p2 -Inf" |
|---|
| 1038 | set l [lsort -integer [xvec search $x1 $x2]] |
|---|
| 1039 | } |
|---|
| 1040 | global graph |
|---|
| 1041 | if {$graph(exclPrompt)} { |
|---|
| 1042 | set ans [MyMessageBox -parent . -message $msg -title "Exclude?"\ |
|---|
| 1043 | -type okcancel] |
|---|
| 1044 | # --helplink |
|---|
| 1045 | } else { |
|---|
| 1046 | set ans ok |
|---|
| 1047 | } |
|---|
| 1048 | if {$ans == "ok"} { |
|---|
| 1049 | global changes |
|---|
| 1050 | incr changes |
|---|
| 1051 | global hst |
|---|
| 1052 | set exclist [histinfo $hst excl] |
|---|
| 1053 | lappend exclist [list $p1 $p2] |
|---|
| 1054 | set oldtmax [lindex [lindex $exclist end] 0] |
|---|
| 1055 | CheckForOverlappingRegions $exclist |
|---|
| 1056 | if {$oldtmax < [set tmax [lindex [lindex $exclist end] 0]]} { |
|---|
| 1057 | histinfo $hst dmin set [tod $tmax $hst] |
|---|
| 1058 | HighLimitChanged |
|---|
| 1059 | } elseif {$oldtmax != [set tmax [lindex [lindex $exclist end] 0]]} { |
|---|
| 1060 | histinfo $hst dmin set [tod $tmax $hst] |
|---|
| 1061 | } else { |
|---|
| 1062 | exxvec append [xvec range [lindex $l 0] [lindex $l end]] |
|---|
| 1063 | exobsvec append [obsvec range [lindex $l 0] [lindex $l end]] |
|---|
| 1064 | exxvec notify now |
|---|
| 1065 | exobsvec notify now |
|---|
| 1066 | } |
|---|
| 1067 | ShowExlMarks |
|---|
| 1068 | FillExclRegionBox |
|---|
| 1069 | } |
|---|
| 1070 | } |
|---|
| 1071 | |
|---|
| 1072 | proc CheckForOverlappingRegions {exclist} { |
|---|
| 1073 | set exclist [lsort -real -index 0 $exclist] |
|---|
| 1074 | set prvlow -1 |
|---|
| 1075 | set prvhigh -1 |
|---|
| 1076 | set i 0 |
|---|
| 1077 | set ip -1 |
|---|
| 1078 | foreach pair $exclist { |
|---|
| 1079 | set low [lindex $pair 0] |
|---|
| 1080 | set high [lindex $pair 1] |
|---|
| 1081 | # is there overlap with the previous range? |
|---|
| 1082 | if {$low < $prvhigh && $i != 0} { |
|---|
| 1083 | set exclist [lreplace $exclist $ip $i [list $prvlow $high]] |
|---|
| 1084 | set prvhigh $high |
|---|
| 1085 | continue |
|---|
| 1086 | } |
|---|
| 1087 | # are there any points between the regions |
|---|
| 1088 | if {$i != 0} { |
|---|
| 1089 | set seppts [allxvec search \ |
|---|
| 1090 | [expr -.00001+$low] [expr .00001+$prvhigh]] |
|---|
| 1091 | if {[llength $seppts] == 0} { |
|---|
| 1092 | set exclist [lreplace $exclist $ip $i [list $prvlow $high]] |
|---|
| 1093 | set prvhigh $high |
|---|
| 1094 | continue |
|---|
| 1095 | } |
|---|
| 1096 | } |
|---|
| 1097 | incr i; incr ip |
|---|
| 1098 | set prvlow $low |
|---|
| 1099 | set prvhigh $high |
|---|
| 1100 | } |
|---|
| 1101 | global hst |
|---|
| 1102 | histinfo $hst excl set $exclist |
|---|
| 1103 | } |
|---|
| 1104 | |
|---|
| 1105 | proc setminormax {} { |
|---|
| 1106 | set link excledt.html |
|---|
| 1107 | set box .limit |
|---|
| 1108 | toplevel $box |
|---|
| 1109 | grid [button $box.help -text Help -bg yellow \ |
|---|
| 1110 | -command "MakeWWWHelp $link"] -col 98 -row 0 |
|---|
| 1111 | bind $box <Key-F1> "MakeWWWHelp $link" |
|---|
| 1112 | global hst expmap graph expnam |
|---|
| 1113 | |
|---|
| 1114 | if {$graph(xunits) == 1} { |
|---|
| 1115 | set var d |
|---|
| 1116 | set unit A |
|---|
| 1117 | } elseif {$graph(xunits) == 2} { |
|---|
| 1118 | set var Q |
|---|
| 1119 | set unit A-1 |
|---|
| 1120 | } elseif {[string range $expmap(htype_$hst) 2 2] == "T"} { |
|---|
| 1121 | set var TOF |
|---|
| 1122 | set unit ms |
|---|
| 1123 | } elseif {[string range $expmap(htype_$hst) 2 2] == "C"} { |
|---|
| 1124 | set var 2theta |
|---|
| 1125 | set unit deg |
|---|
| 1126 | } elseif {[string range $expmap(htype_$hst) 2 2] == "E"} { |
|---|
| 1127 | set var Energy |
|---|
| 1128 | set unit KeV |
|---|
| 1129 | } else { |
|---|
| 1130 | set var ? |
|---|
| 1131 | set unit ? |
|---|
| 1132 | } |
|---|
| 1133 | if {$graph(xunits) != 0} { |
|---|
| 1134 | } |
|---|
| 1135 | grid [label $box.t -text "Set usable data range"] -col 0 -columnspan 4 -row 0 |
|---|
| 1136 | grid [label $box.lu -text "($unit)"] -col 2 -row 1 -rowspan 2 |
|---|
| 1137 | grid [label $box.lmn -text "$var minimum"] -col 0 -row 1 |
|---|
| 1138 | grid [entry $box.emn -textvariable graph(tmin) -width 10] -col 1 -row 1 |
|---|
| 1139 | grid [label $box.lmx -text "$var maximum"] -col 0 -row 2 |
|---|
| 1140 | grid [entry $box.emx -textvariable graph(tmax) -width 10] -col 1 -row 2 |
|---|
| 1141 | grid [frame $box.c] -col 0 -columnspan 99 -row 99 |
|---|
| 1142 | grid [button $box.c.1 -text Set -command "destroy $box"\ |
|---|
| 1143 | ] -col 1 -row 0 |
|---|
| 1144 | grid [button $box.c.2 -text Quit \ |
|---|
| 1145 | -command "foreach i {min max} {set graph(\$i) {}}; destroy $box" \ |
|---|
| 1146 | ] -col 2 -row 0 |
|---|
| 1147 | set exclist [histinfo $hst excl] |
|---|
| 1148 | set oldtmax [lindex [lindex $exclist end] 0] |
|---|
| 1149 | if {$graph(xunits) == 1} { |
|---|
| 1150 | set graph(tmax) [format %.4f [tod [lindex [lindex $exclist 0] 1] $hst]] |
|---|
| 1151 | set graph(tmin) [format %.4f [tod [lindex [lindex $exclist end] 0] $hst]] |
|---|
| 1152 | } elseif {$graph(xunits) == 2} { |
|---|
| 1153 | set graph(tmin) [format %.4f [toQ [lindex [lindex $exclist 0] 1] $hst]] |
|---|
| 1154 | set graph(tmax) [format %.4f [toQ [lindex [lindex $exclist end] 0] $hst]] |
|---|
| 1155 | } else { |
|---|
| 1156 | set graph(tmin) [lindex [lindex $exclist 0] 1] |
|---|
| 1157 | set graph(tmax) [lindex [lindex $exclist end] 0] |
|---|
| 1158 | } |
|---|
| 1159 | foreach v {tmin tmax} {set start($v) $graph($v)} |
|---|
| 1160 | bind $box <Return> "$box.c.1 invoke" |
|---|
| 1161 | putontop $box |
|---|
| 1162 | tkwait window $box |
|---|
| 1163 | # fix grab... |
|---|
| 1164 | afterputontop |
|---|
| 1165 | global changes |
|---|
| 1166 | set highchange 0 |
|---|
| 1167 | set startchanges $changes |
|---|
| 1168 | catch { |
|---|
| 1169 | if {$graph(tmin) != $start(tmin)} { |
|---|
| 1170 | incr changes |
|---|
| 1171 | if {$graph(xunits) == 1} { |
|---|
| 1172 | set tmax [fromd $graph(tmin) $hst] |
|---|
| 1173 | incr highchange |
|---|
| 1174 | set item [list $tmax [lindex [lindex $exclist end] 1]] |
|---|
| 1175 | set exclist [lreplace $exclist end end $item] |
|---|
| 1176 | histinfo $hst dmin set [tod $tmax $hst] |
|---|
| 1177 | } elseif {$graph(xunits) == 2} { |
|---|
| 1178 | set tmin [fromQ $graph(tmin) $hst] |
|---|
| 1179 | set item [list [lindex [lindex $exclist 0] 0] $tmin] |
|---|
| 1180 | set exclist [lreplace $exclist 0 0 $item] |
|---|
| 1181 | } else { |
|---|
| 1182 | set item [list [lindex [lindex $exclist 0] 0] $graph(tmin)] |
|---|
| 1183 | set exclist [lreplace $exclist 0 0 $item] |
|---|
| 1184 | } |
|---|
| 1185 | } |
|---|
| 1186 | } |
|---|
| 1187 | catch { |
|---|
| 1188 | if {$graph(tmax) != $start(tmax)} { |
|---|
| 1189 | incr changes |
|---|
| 1190 | if {$graph(xunits) == 1} { |
|---|
| 1191 | set tmin [fromd $graph(tmax) $hst] |
|---|
| 1192 | set item [list [lindex [lindex $exclist 0] 0] $tmin] |
|---|
| 1193 | set exclist [lreplace $exclist 0 0 $item] |
|---|
| 1194 | } elseif {$graph(xunits) == 2} { |
|---|
| 1195 | set tmax [fromQ $graph(tmax) $hst] |
|---|
| 1196 | incr highchange |
|---|
| 1197 | set item [list $tmax [lindex [lindex $exclist end] 1]] |
|---|
| 1198 | set exclist [lreplace $exclist end end $item] |
|---|
| 1199 | histinfo $hst dmin set [tod $tmax $hst] |
|---|
| 1200 | } else { |
|---|
| 1201 | incr highchange |
|---|
| 1202 | set item [list $graph(tmax) [lindex [lindex $exclist end] 1]] |
|---|
| 1203 | set exclist [lreplace $exclist end end $item] |
|---|
| 1204 | histinfo $hst dmin set [tod $graph(tmax) $hst] |
|---|
| 1205 | } |
|---|
| 1206 | } |
|---|
| 1207 | } |
|---|
| 1208 | if {$startchanges != $changes} { |
|---|
| 1209 | histinfo $hst excl set $exclist |
|---|
| 1210 | CheckForOverlappingRegions $exclist |
|---|
| 1211 | } else { |
|---|
| 1212 | return |
|---|
| 1213 | } |
|---|
| 1214 | if {$highchange && \ |
|---|
| 1215 | $oldtmax < [set tmax [lindex [lindex $exclist end] 0]]} { |
|---|
| 1216 | histinfo $hst dmin set [tod $tmax $hst] |
|---|
| 1217 | HighLimitChanged |
|---|
| 1218 | } elseif {$oldtmax != [set tmax [lindex [lindex $exclist end] 0]]} { |
|---|
| 1219 | histinfo $hst dmin set [tod $tmax $hst] |
|---|
| 1220 | updateplot |
|---|
| 1221 | } else { |
|---|
| 1222 | updateplot |
|---|
| 1223 | } |
|---|
| 1224 | } |
|---|
| 1225 | proc HighLimitChanged {} { |
|---|
| 1226 | global expnam graph |
|---|
| 1227 | set msg "The upper data limit has changed.\nYou must run POWPREF to " |
|---|
| 1228 | append msg "to see the full range of data displayed. Do you want to " |
|---|
| 1229 | append msg "run POWPREF (& possibly GENLES with zero cycles)?" |
|---|
| 1230 | set ans [MyMessageBox -parent . -message $msg -title "Process limits?"\ |
|---|
| 1231 | -type {Skip {Run POWPREF} {Run POWPREF & GENLES}}] |
|---|
| 1232 | # --helplink |
|---|
| 1233 | if {$ans == "skip"} { |
|---|
| 1234 | expwrite $expnam |
|---|
| 1235 | updateplot |
|---|
| 1236 | return |
|---|
| 1237 | } elseif {$ans == "run powpref"} { |
|---|
| 1238 | set cmd powpref |
|---|
| 1239 | set cycsav {} |
|---|
| 1240 | } else { |
|---|
| 1241 | set cycsav [expinfo cycles] |
|---|
| 1242 | set cmd "powpref genles" |
|---|
| 1243 | expinfo cycles set 0 |
|---|
| 1244 | } |
|---|
| 1245 | expwrite $expnam.EXP |
|---|
| 1246 | global expgui env |
|---|
| 1247 | set expgui(autoexpload) 0 |
|---|
| 1248 | set expgui(archive) 0 |
|---|
| 1249 | set expgui(expfile) $expnam.EXP |
|---|
| 1250 | set env(GSASBACKSPACE) 0 |
|---|
| 1251 | set expgui(autoiconify) 0 |
|---|
| 1252 | runGSASwEXP $cmd |
|---|
| 1253 | updateplot |
|---|
| 1254 | CheckTmax $cycsav |
|---|
| 1255 | } |
|---|
| 1256 | |
|---|
| 1257 | # find out what the maximum point really is |
|---|
| 1258 | proc CheckTmax {cycsav} { |
|---|
| 1259 | # clone xvec |
|---|
| 1260 | xvec dup temp |
|---|
| 1261 | global graph hst expnam |
|---|
| 1262 | if {$graph(xunits) == 1} { |
|---|
| 1263 | temp sort |
|---|
| 1264 | set max [fromd [temp index 0] $hst] |
|---|
| 1265 | set step [expr abs($max - [fromd [temp index 1] $hst])] |
|---|
| 1266 | } elseif {$graph(xunits) == 2} { |
|---|
| 1267 | temp sort -reverse |
|---|
| 1268 | set max [fromQ [temp index 0] $hst] |
|---|
| 1269 | set step [expr abs($max - [fromQ [temp index 1] $hst])] |
|---|
| 1270 | } else { |
|---|
| 1271 | temp sort -reverse |
|---|
| 1272 | set max [temp index 0] |
|---|
| 1273 | set step [expr $max - [temp index 1]] |
|---|
| 1274 | } |
|---|
| 1275 | set exclist [histinfo $hst excl] |
|---|
| 1276 | if {[lindex [lindex $exclist end] 0] > $max + 10*$step} { |
|---|
| 1277 | if {$graph(xunits) == 1} { |
|---|
| 1278 | set msg "The lower data limit ([tod [lindex [lindex $exclist end] 0] $hst] A) " |
|---|
| 1279 | set d [tod $max $hst] |
|---|
| 1280 | append msg "is much smaller than the smallest data point ($d A)\n" |
|---|
| 1281 | append msg "You are suggested to set the lower d limit to $d A\n" |
|---|
| 1282 | } elseif {$graph(xunits) == 2} { |
|---|
| 1283 | set msg "The upper data limit ([toQ [lindex [lindex $exclist end] 0] $hst] A-1) " |
|---|
| 1284 | set q [toQ $max $hst] |
|---|
| 1285 | append msg "is much larger than the largest data point ($q A-1)\n" |
|---|
| 1286 | append msg "You are suggested to set the upper Q limit to $q A-1\n" |
|---|
| 1287 | } else { |
|---|
| 1288 | set msg "The upper data limit ([lindex [lindex $exclist end] 0]) " |
|---|
| 1289 | append msg "is much larger than the largest data point ($max)\n" |
|---|
| 1290 | append msg "You are suggested to set the upper limit to $max\n" |
|---|
| 1291 | } |
|---|
| 1292 | append msg "OK to make this change?" |
|---|
| 1293 | set ans [MyMessageBox -parent . -message $msg -title "Reset limits?"\ |
|---|
| 1294 | -type {OK Cancel}] |
|---|
| 1295 | # --helplink |
|---|
| 1296 | if {$ans == "ok"} { |
|---|
| 1297 | set item [list [expr $max+$step] [lindex [lindex $exclist end] 1]] |
|---|
| 1298 | set exclist [lreplace $exclist end end $item] |
|---|
| 1299 | histinfo $hst excl set $exclist |
|---|
| 1300 | if {$cycsav != ""} { |
|---|
| 1301 | expinfo cycles set $cycsav |
|---|
| 1302 | } |
|---|
| 1303 | expwrite $expnam.EXP |
|---|
| 1304 | updateplot |
|---|
| 1305 | return |
|---|
| 1306 | } |
|---|
| 1307 | } |
|---|
| 1308 | if {$cycsav != ""} { |
|---|
| 1309 | expinfo cycles set $cycsav |
|---|
| 1310 | expwrite $expnam.EXP |
|---|
| 1311 | } |
|---|
| 1312 | } |
|---|
| 1313 | |
|---|
| 1314 | proc CheckChanges {} { |
|---|
| 1315 | global changes hst graph |
|---|
| 1316 | if {$changes == 0} return |
|---|
| 1317 | set msg "The excluded regions have changed.\nYou must run POWPREF before " |
|---|
| 1318 | append msg "running GENLES. Do you want to run POWPREF and possibly " |
|---|
| 1319 | append msg "GENLES with zero cycles now?" |
|---|
| 1320 | set ans [MyMessageBox -parent . -message $msg -title "Process limits?"\ |
|---|
| 1321 | -type {Skip {Run POWPREF} {Run POWPREF & GENLES}}] |
|---|
| 1322 | # --helplink |
|---|
| 1323 | global expgui env expnam |
|---|
| 1324 | if {$ans == "run powpref"} { |
|---|
| 1325 | set cmd powpref |
|---|
| 1326 | set cycsav {} |
|---|
| 1327 | } elseif {$ans == "skip"} { |
|---|
| 1328 | expwrite $expnam.EXP |
|---|
| 1329 | return |
|---|
| 1330 | } else { |
|---|
| 1331 | set cycsav [expinfo cycles] |
|---|
| 1332 | set cmd "powpref genles" |
|---|
| 1333 | expinfo cycles set 0 |
|---|
| 1334 | } |
|---|
| 1335 | expwrite $expnam.EXP |
|---|
| 1336 | set expgui(autoexpload) 0 |
|---|
| 1337 | set expgui(archive) 0 |
|---|
| 1338 | set expgui(expfile) $expnam.EXP |
|---|
| 1339 | set env(GSASBACKSPACE) 0 |
|---|
| 1340 | set expgui(autoiconify) 0 |
|---|
| 1341 | runGSASwEXP $cmd |
|---|
| 1342 | set changes 0 |
|---|
| 1343 | CheckTmax $cycsav |
|---|
| 1344 | } |
|---|
| 1345 | |
|---|
| 1346 | proc EditExclRegion {reg "msg {}"} { |
|---|
| 1347 | global graph hst expmap changes |
|---|
| 1348 | set startchanges $changes |
|---|
| 1349 | set exclist [histinfo $hst excl] |
|---|
| 1350 | set oldtmax [lindex [lindex $exclist end] 0] |
|---|
| 1351 | set i [expr {$reg -1}] |
|---|
| 1352 | set range [lindex $exclist $i] |
|---|
| 1353 | toplevel [set box .edit] |
|---|
| 1354 | set beg minimum |
|---|
| 1355 | set end maximum |
|---|
| 1356 | set graph(tmin) [format %.4f [lindex $range 0]] |
|---|
| 1357 | set graph(tmax) [format %.4f [lindex $range 1]] |
|---|
| 1358 | if {$msg != ""} { |
|---|
| 1359 | grid [label $box.0 -text $msg -fg red] \ |
|---|
| 1360 | -col 1 -row 0 -columnspan 99 |
|---|
| 1361 | } |
|---|
| 1362 | if {$graph(xunits) == 1} { |
|---|
| 1363 | set var d-space |
|---|
| 1364 | set unit A |
|---|
| 1365 | set beg maximum |
|---|
| 1366 | set end minimum |
|---|
| 1367 | set graph(tmin) [format %.4f [tod [lindex $range 0] $hst]] |
|---|
| 1368 | set graph(tmax) [format %.4f [tod [lindex $range 1] $hst]] |
|---|
| 1369 | } elseif {$graph(xunits) == 2} { |
|---|
| 1370 | set var Q |
|---|
| 1371 | set unit A-1 |
|---|
| 1372 | set graph(tmin) [format %.4f [toQ [lindex $range 0] $hst]] |
|---|
| 1373 | set graph(tmax) [format %.4f [toQ [lindex $range 1] $hst]] |
|---|
| 1374 | } elseif {[string range $expmap(htype_$hst) 2 2] == "T"} { |
|---|
| 1375 | set var TOF |
|---|
| 1376 | set unit ms |
|---|
| 1377 | } elseif {[string range $expmap(htype_$hst) 2 2] == "C"} { |
|---|
| 1378 | set var 2theta |
|---|
| 1379 | set unit deg |
|---|
| 1380 | } elseif {[string range $expmap(htype_$hst) 2 2] == "E"} { |
|---|
| 1381 | set var Energy |
|---|
| 1382 | set unit KeV |
|---|
| 1383 | } else { |
|---|
| 1384 | set var ? |
|---|
| 1385 | set unit ? |
|---|
| 1386 | } |
|---|
| 1387 | if {$reg == 1} { |
|---|
| 1388 | grid [label $box.1 -text "Editing Data Limits ($unit)"] \ |
|---|
| 1389 | -col 1 -row 1 -columnspan 99 |
|---|
| 1390 | grid [label $box.2 -text "$beg $var "] \ |
|---|
| 1391 | -col 1 -row 2 |
|---|
| 1392 | grid [entry $box.3 -width 12 -textvariable graph(tmax)] \ |
|---|
| 1393 | -col 2 -row 2 |
|---|
| 1394 | } elseif {$reg == [llength $exclist]} { |
|---|
| 1395 | grid [label $box.1 -text "Editing Data Limits ($unit)"] \ |
|---|
| 1396 | -col 1 -row 1 -columnspan 99 |
|---|
| 1397 | grid [label $box.2 -text "$end $var "] \ |
|---|
| 1398 | -col 1 -row 2 |
|---|
| 1399 | grid [entry $box.3 -width 12 -textvariable graph(tmin)] \ |
|---|
| 1400 | -col 2 -row 2 |
|---|
| 1401 | } else { |
|---|
| 1402 | grid [label $box.1 -text "Editing excluded region #$reg in $var ($unit)"] \ |
|---|
| 1403 | -col 1 -row 1 -columnspan 99 |
|---|
| 1404 | grid [label $box.2 -text "$beg $var "] \ |
|---|
| 1405 | -col 1 -row 2 |
|---|
| 1406 | grid [entry $box.3 -width 12 -textvariable graph(tmin)] \ |
|---|
| 1407 | -col 2 -row 2 |
|---|
| 1408 | grid [label $box.4 -text "$end $var "] \ |
|---|
| 1409 | -col 1 -row 3 |
|---|
| 1410 | grid [entry $box.5 -width 12 -textvariable graph(tmax)] \ |
|---|
| 1411 | -col 2 -row 3 |
|---|
| 1412 | } |
|---|
| 1413 | foreach v {tmin tmax} { |
|---|
| 1414 | set $v $graph($v) |
|---|
| 1415 | } |
|---|
| 1416 | bind $box <Return> "destroy .edit" |
|---|
| 1417 | grid [frame $box.c] -col 1 -row 99 -columnspan 99 |
|---|
| 1418 | grid [button $box.c.1 -text "OK" -command "destroy .edit"] \ |
|---|
| 1419 | -col 1 -row 1 |
|---|
| 1420 | grid [button $box.c.2 -text "Cancel" \ |
|---|
| 1421 | -command "set graph(tmin) $tmin; set graph(tmax) $tmax;destroy .edit"] \ |
|---|
| 1422 | -col 2 -row 1 |
|---|
| 1423 | putontop $box |
|---|
| 1424 | tkwait window $box |
|---|
| 1425 | afterputontop |
|---|
| 1426 | if {$tmin != $graph(tmin)} { |
|---|
| 1427 | if {[catch { |
|---|
| 1428 | expr $graph(tmin) |
|---|
| 1429 | if {$graph(xunits) == 1} { |
|---|
| 1430 | set tmin [fromd $graph(tmin) $hst] |
|---|
| 1431 | } elseif {$graph(xunits) == 2} { |
|---|
| 1432 | set tmin [fromQ $graph(tmin) $hst] |
|---|
| 1433 | } else { |
|---|
| 1434 | set tmin $graph(tmin) |
|---|
| 1435 | } |
|---|
| 1436 | }]} { |
|---|
| 1437 | EditExclRegion $reg "Invalid value entered, try again" |
|---|
| 1438 | return |
|---|
| 1439 | } |
|---|
| 1440 | set exclist [lreplace $exclist $i $i [lreplace $range 0 0 $tmin]] |
|---|
| 1441 | incr changes |
|---|
| 1442 | } |
|---|
| 1443 | if {$tmax != $graph(tmax)} { |
|---|
| 1444 | if {[catch { |
|---|
| 1445 | expr $graph(tmax) |
|---|
| 1446 | if {$graph(xunits) == 1} { |
|---|
| 1447 | set tmax [fromd $graph(tmax) $hst] |
|---|
| 1448 | } elseif {$graph(xunits) == 2} { |
|---|
| 1449 | set tmax [fromQ $graph(tmax) $hst] |
|---|
| 1450 | } else { |
|---|
| 1451 | set tmax $graph(tmax) |
|---|
| 1452 | } |
|---|
| 1453 | }]} { |
|---|
| 1454 | EditExclRegion $reg "Invalid value entered, try again" |
|---|
| 1455 | return |
|---|
| 1456 | } |
|---|
| 1457 | set exclist [lreplace $exclist $i $i [lreplace $range 1 1 $tmax]] |
|---|
| 1458 | incr changes |
|---|
| 1459 | } |
|---|
| 1460 | if {$changes != $startchanges} { |
|---|
| 1461 | histinfo $hst excl set $exclist |
|---|
| 1462 | CheckForOverlappingRegions $exclist |
|---|
| 1463 | if {$reg == [llength $exclist]} { |
|---|
| 1464 | histinfo $hst dmin set [tod $tmin $hst] |
|---|
| 1465 | } |
|---|
| 1466 | if {$oldtmax < [set tmax [lindex [lindex $exclist end] 0]]} { |
|---|
| 1467 | histinfo $hst dmin set [tod $tmin $hst] |
|---|
| 1468 | HighLimitChanged |
|---|
| 1469 | } elseif {$oldtmax != [set tmax [lindex [lindex $exclist end] 0]]} { |
|---|
| 1470 | histinfo $hst dmin set [tod $tmin $hst] |
|---|
| 1471 | updateplot |
|---|
| 1472 | } else { |
|---|
| 1473 | updateplot |
|---|
| 1474 | } |
|---|
| 1475 | FillExclRegionBox |
|---|
| 1476 | } |
|---|
| 1477 | } |
|---|
| 1478 | |
|---|
| 1479 | proc scheduleFillExclRegionBox {} { |
|---|
| 1480 | global graph |
|---|
| 1481 | # is an update pending? |
|---|
| 1482 | if {$graph(FillExclRegionBox)} return |
|---|
| 1483 | set graph(FillExclRegionBox) 1 |
|---|
| 1484 | after idle FillExclRegionBox |
|---|
| 1485 | } |
|---|
| 1486 | # put the background regions into buttons |
|---|
| 1487 | proc FillExclRegionBox {} { |
|---|
| 1488 | global graph hst |
|---|
| 1489 | set can $graph(ExclCanvas) |
|---|
| 1490 | set scroll $graph(ExclScroll) |
|---|
| 1491 | |
|---|
| 1492 | catch {destroy [set top $can.fr]} |
|---|
| 1493 | frame $top -class SmallFont |
|---|
| 1494 | $can create window 0 0 -anchor nw -window $top |
|---|
| 1495 | set exclist [histinfo $hst excl] |
|---|
| 1496 | set col 0 |
|---|
| 1497 | foreach rng $exclist { |
|---|
| 1498 | if {$graph(xunits) == 1} { |
|---|
| 1499 | set rng [tod $rng $hst] |
|---|
| 1500 | if {$col == 0} { |
|---|
| 1501 | set lbl ">[format %.4f [lindex $rng 1]]" |
|---|
| 1502 | } else { |
|---|
| 1503 | set lbl "[format %.4f [lindex $rng 0]]\nto [format %.4f [lindex $rng 1]]" |
|---|
| 1504 | } |
|---|
| 1505 | incr col |
|---|
| 1506 | if {$col == [llength $exclist]} { |
|---|
| 1507 | set lbl "<[format %.4f [lindex $rng 0]]" |
|---|
| 1508 | } |
|---|
| 1509 | } else { |
|---|
| 1510 | if {$graph(xunits) == 2} { |
|---|
| 1511 | set rng [toQ $rng $hst] |
|---|
| 1512 | } |
|---|
| 1513 | if {$col == 0} { |
|---|
| 1514 | set lbl "<[format %.3f [lindex $rng 1]]" |
|---|
| 1515 | } else { |
|---|
| 1516 | set lbl "[format %.3f [lindex $rng 0]]\nto [format %.3f [lindex $rng 1]]" |
|---|
| 1517 | } |
|---|
| 1518 | incr col |
|---|
| 1519 | if {$col == [llength $exclist]} { |
|---|
| 1520 | set lbl ">[format %.3f [lindex $rng 0]]" |
|---|
| 1521 | } |
|---|
| 1522 | } |
|---|
| 1523 | grid [button $top.$col -text $lbl -command "EditExclRegion $col" \ |
|---|
| 1524 | -padx 1 -pady 1] -row 0 -col $col -sticky ns |
|---|
| 1525 | } |
|---|
| 1526 | update idletasks |
|---|
| 1527 | set sizes [grid bbox $top] |
|---|
| 1528 | $can config -scrollregion $sizes -height [lindex $sizes 3] |
|---|
| 1529 | if {[lindex $sizes 2] <= [winfo width $can]} { |
|---|
| 1530 | grid forget $scroll |
|---|
| 1531 | } else { |
|---|
| 1532 | grid $graph(ExclScroll) -column 1 -row 4 -columnspan 5 -sticky nsew |
|---|
| 1533 | } |
|---|
| 1534 | # clear flag |
|---|
| 1535 | set graph(FillExclRegionBox) 0 |
|---|
| 1536 | } |
|---|
| 1537 | |
|---|
| 1538 | source [file join $expgui(scriptdir) gsascmds.tcl] |
|---|
| 1539 | source [file join $expgui(scriptdir) readexp.tcl] |
|---|
| 1540 | # do not need archiving here |
|---|
| 1541 | proc savearchiveexp {} {} |
|---|
| 1542 | |
|---|
| 1543 | source [file join $expgui(scriptdir) opts.tcl] |
|---|
| 1544 | # override options with locally defined values |
|---|
| 1545 | if [file exists [file join $expgui(scriptdir) localconfig]] { |
|---|
| 1546 | source [file join $expgui(scriptdir) localconfig] |
|---|
| 1547 | } |
|---|
| 1548 | if [file exists [file join ~ .gsas_config]] { |
|---|
| 1549 | source [file join ~ .gsas_config] |
|---|
| 1550 | } |
|---|
| 1551 | SetTkDefaultOptions $expgui(font) |
|---|
| 1552 | |
|---|
| 1553 | # vectors |
|---|
| 1554 | foreach vec {allxvec xvec obsvec calcvec diffvec exxvec exobsvec} { |
|---|
| 1555 | vector $vec |
|---|
| 1556 | $vec notify never |
|---|
| 1557 | } |
|---|
| 1558 | # create the graph |
|---|
| 1559 | if [catch { |
|---|
| 1560 | set box [graph .g -plotbackground white] |
|---|
| 1561 | } errmsg] { |
|---|
| 1562 | tk_dialog .err "BLT Error" \ |
|---|
| 1563 | "BLT Setup Error: could not create a graph (msg: $errmsg). \ |
|---|
| 1564 | There is a problem with the setup of BLT on your system. |
|---|
| 1565 | See the expgui.html file for more info." \ |
|---|
| 1566 | error 0 "Quit" |
|---|
| 1567 | exit |
|---|
| 1568 | } |
|---|
| 1569 | |
|---|
| 1570 | if [catch { |
|---|
| 1571 | Blt_ZoomStack $box |
|---|
| 1572 | } errmsg] { |
|---|
| 1573 | tk_dialog .err "BLT Error" \ |
|---|
| 1574 | "BLT Setup Error: could not access a Blt_ routine (msg: $errmsg). \ |
|---|
| 1575 | The pkgIndex.tcl is probably not loading bltGraph.tcl. |
|---|
| 1576 | See the expgui.html file for more info." \ |
|---|
| 1577 | error 0 "Limp ahead" |
|---|
| 1578 | } |
|---|
| 1579 | |
|---|
| 1580 | $box element create 3 -color black -linewidth 0 -label Obs \ |
|---|
| 1581 | -symbol $peakinfo(obssym) -color $graph(color_obs) \ |
|---|
| 1582 | -pixels [expr 0.125 * $peakinfo(obssize)]i |
|---|
| 1583 | $box element create 2 -label Calc -color $graph(color_calc) -symbol none |
|---|
| 1584 | $box element create 12 -line 0 -label "Excl" -color $graph(color_excl) \ |
|---|
| 1585 | -symbol $peakinfo(exclsym) \ |
|---|
| 1586 | -pixels [expr 0.15 * $peakinfo(exclsize)]i |
|---|
| 1587 | $box element show "3 2 12 1" |
|---|
| 1588 | $box element config 3 -xdata xvec -ydata obsvec |
|---|
| 1589 | $box element config 2 -xdata xvec -ydata calcvec |
|---|
| 1590 | $box element config 12 -xdata exxvec -ydata exobsvec |
|---|
| 1591 | |
|---|
| 1592 | $box yaxis config -title {} |
|---|
| 1593 | setlegend $box $graph(legend) |
|---|
| 1594 | |
|---|
| 1595 | frame .a -bd 3 -relief groove |
|---|
| 1596 | pack [menubutton .a.file -text File -underline 0 -menu .a.file.menu] -side left |
|---|
| 1597 | menu .a.file.menu |
|---|
| 1598 | .a.file.menu add cascade -label Tickmarks -menu .a.file.menu.tick |
|---|
| 1599 | menu .a.file.menu.tick |
|---|
| 1600 | foreach num {1 2 3 4 5 6 7 8 9} { |
|---|
| 1601 | .a.file.menu.tick add checkbutton -label "Phase $num" \ |
|---|
| 1602 | -variable peakinfo(flag$num) |
|---|
| 1603 | } |
|---|
| 1604 | .a.file.menu add cascade -label "Histogram" -menu .a.file.menu.hist |
|---|
| 1605 | menu .a.file.menu.hist |
|---|
| 1606 | for {set num 1} {$num < 99} {incr num 10} { |
|---|
| 1607 | .a.file.menu.hist add cascade -label "$num-[expr $num+9]" \ |
|---|
| 1608 | -menu .a.file.menu.hist.$num |
|---|
| 1609 | menu .a.file.menu.hist.$num |
|---|
| 1610 | for {set num1 $num} {$num1 < 10+$num} {incr num1} { |
|---|
| 1611 | .a.file.menu.hist.$num add radiobutton -label $num1 -value $num1 \ |
|---|
| 1612 | -variable hst \ |
|---|
| 1613 | -command {set cycle [getcycle];readdata .g} |
|---|
| 1614 | } |
|---|
| 1615 | } |
|---|
| 1616 | |
|---|
| 1617 | .a.file.menu add command -label "Set Min/Max Range" -command setminormax |
|---|
| 1618 | .a.file.menu add command -label "Update Plot" -command "CheckChanges;updateplot" |
|---|
| 1619 | .a.file.menu add command -label "Make PostScript" -command makepostscriptout |
|---|
| 1620 | .a.file.menu add command -label Exit -command "CheckChanges;exit" |
|---|
| 1621 | |
|---|
| 1622 | pack [menubutton .a.options -text Options -underline 0 -menu .a.options.menu] \ |
|---|
| 1623 | -side left |
|---|
| 1624 | menu .a.options.menu |
|---|
| 1625 | .a.options.menu add cascade -label "Configure Tickmarks" -menu .a.options.menu.tick |
|---|
| 1626 | menu .a.options.menu.tick |
|---|
| 1627 | .a.options.menu.tick add radiobutton -label "Manual Placement" \ |
|---|
| 1628 | -value 0 -variable expgui(autotick) -command plotdata |
|---|
| 1629 | .a.options.menu.tick add radiobutton -label "Auto locate" \ |
|---|
| 1630 | -value 1 -variable expgui(autotick) -command plotdata |
|---|
| 1631 | .a.options.menu.tick add separator |
|---|
| 1632 | foreach num {1 2 3 4 5 6 7 8 9} { |
|---|
| 1633 | .a.options.menu.tick add command -label "Phase $num" \ |
|---|
| 1634 | -command "minioptionsbox $num" |
|---|
| 1635 | } |
|---|
| 1636 | .a.options.menu add cascade -label "Symbol Type" -menu .a.options.menu.sym |
|---|
| 1637 | menu .a.options.menu.sym |
|---|
| 1638 | foreach var {excl obs} lbl {Excluded Observed} { |
|---|
| 1639 | .a.options.menu.sym add command -label $lbl -command "getsymopts $var" |
|---|
| 1640 | } |
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| 1641 | |
|---|
| 1642 | .a.options.menu add cascade -label "Symbol color" -menu .a.options.menu.color |
|---|
| 1643 | menu .a.options.menu.color |
|---|
| 1644 | foreach var {excl calc obs} lbl {Excluded Calculated Observed} { |
|---|
| 1645 | .a.options.menu.color add command -label $lbl \ |
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| 1646 | -command "set graph(color_$var) \[tk_chooseColor -initialcolor \$graph(color_$var) -title \"Choose \$lbl color\"]; plotdata" |
|---|
| 1647 | } |
|---|
| 1648 | .a.options.menu add cascade -label "X units" -menu .a.options.menu.xunits |
|---|
| 1649 | menu .a.options.menu.xunits |
|---|
| 1650 | .a.options.menu.xunits add radiobutton -label "As collected" \ |
|---|
| 1651 | -variable graph(xunits) -value 0 \ |
|---|
| 1652 | -command updateplot |
|---|
| 1653 | .a.options.menu.xunits add radiobutton -label "d-space" \ |
|---|
| 1654 | -variable graph(xunits) -value 1 \ |
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| 1655 | -command updateplot |
|---|
| 1656 | .a.options.menu.xunits add radiobutton -label "Q" \ |
|---|
| 1657 | -variable graph(xunits) -value 2 \ |
|---|
| 1658 | -command updateplot |
|---|
| 1659 | |
|---|
| 1660 | .a.options.menu add checkbutton -label "Include legend" \ |
|---|
| 1661 | -variable graph(legend) \ |
|---|
| 1662 | -command {setlegend $box $graph(legend)} |
|---|
| 1663 | .a.options.menu add checkbutton -label "Prompt on add/del" \ |
|---|
| 1664 | -variable graph(exclPrompt) |
|---|
| 1665 | .a.options.menu add command -label "Set PS output" -command setpostscriptout |
|---|
| 1666 | |
|---|
| 1667 | .a.options.menu add cascade -menu .a.options.menu.font \ |
|---|
| 1668 | -label "Screen font" |
|---|
| 1669 | menu .a.options.menu.font |
|---|
| 1670 | foreach f {10 11 12 13 14 16 18 20 22} { |
|---|
| 1671 | .a.options.menu.font add radiobutton \ |
|---|
| 1672 | -command {SetTkDefaultOptions $expgui(font); ResizeFont .} \ |
|---|
| 1673 | -label $f -value $f -variable expgui(font) -font "Helvetica -$f" |
|---|
| 1674 | } |
|---|
| 1675 | .a.options.menu add command -label "Save Options" -command "SaveOptions" |
|---|
| 1676 | |
|---|
| 1677 | set bb .b |
|---|
| 1678 | catch {pack [frame $bb -bd 3 -relief sunken] -side bottom -fill both} |
|---|
| 1679 | grid [label $bb.top -text "Excluded Region Editing"] \ |
|---|
| 1680 | -col 0 -row 0 -columnspan 4 |
|---|
| 1681 | grid [button $bb.help -text Help -bg yellow \ |
|---|
| 1682 | -command "MakeWWWHelp excledt.html"] \ |
|---|
| 1683 | -column 5 -row 0 -rowspan 1 -sticky ne |
|---|
| 1684 | |
|---|
| 1685 | grid [frame $bb.l -bd 3 -relief groove] \ |
|---|
| 1686 | -col 0 -row 1 -columnspan 2 -sticky nse |
|---|
| 1687 | grid [label $bb.l.1 -text "Mouse click\naction"] -col 0 -row 0 |
|---|
| 1688 | foreach c {1 2 3} l {zoom "Add\nregion" "Delete\nregion"} { |
|---|
| 1689 | grid [button $bb.l.b$c -text $l -command "exclEditMode $c $bb"] \ |
|---|
| 1690 | -col $c -row 0 -sticky ns |
|---|
| 1691 | } |
|---|
| 1692 | exclEditMode 1 $bb |
|---|
| 1693 | #grid [button $bb.mnmx -text "Min/Max\nRange" -command setminormax] \ |
|---|
| 1694 | # -col 4 -columnspan 2 -row 1 -sticky e |
|---|
| 1695 | |
|---|
| 1696 | grid [frame $bb.bl] \ |
|---|
| 1697 | -col 0 -row 3 -rowspan 2 -sticky nsew |
|---|
| 1698 | grid [label $bb.bl.1 -text "Excluded\nRegions"] -col 0 -row 0 |
|---|
| 1699 | grid [canvas [set graph(ExclCanvas) $bb.bc] \ |
|---|
| 1700 | -scrollregion {0 0 5000 500} -width 0 -height 0 \ |
|---|
| 1701 | -xscrollcommand "$bb.bs set"] \ |
|---|
| 1702 | -column 1 -row 3 -columnspan 5 -sticky nsew |
|---|
| 1703 | grid [scrollbar [set graph(ExclScroll) $bb.bs] -command "$bb.bc xview" \ |
|---|
| 1704 | -orient horizontal] \ |
|---|
| 1705 | -column 1 -row 4 -columnspan 5 -sticky nsew |
|---|
| 1706 | grid [button $bb.cw -text "Save\n& Exit" \ |
|---|
| 1707 | -command "CheckChanges;exit"] \ |
|---|
| 1708 | -col 4 -row 1 -columnspan 2 -sticky ns |
|---|
| 1709 | #grid [button $bb.cq -text "Quit" \ |
|---|
| 1710 | # -command "exit"] \ |
|---|
| 1711 | # -col 5 -row 3 -rowspan 2 -sticky ns |
|---|
| 1712 | |
|---|
| 1713 | grid columnconfigure $bb 1 -weight 1 |
|---|
| 1714 | #grid columnconfigure $bb 2 -weight 1 |
|---|
| 1715 | #grid columnconfigure $bb 3 -weight 1 |
|---|
| 1716 | grid columnconfigure $bb 5 -weight 1 |
|---|
| 1717 | grid rowconfigure $bb 3 -weight 1 |
|---|
| 1718 | grid rowconfigure $bb 5 -weight 1 |
|---|
| 1719 | # .g config -title "" |
|---|
| 1720 | |
|---|
| 1721 | pack [menubutton .a.help -text Help -underline 0 -menu .a.help.menu] -side right |
|---|
| 1722 | menu .a.help.menu -tearoff 0 |
|---|
| 1723 | .a.help.menu add command -command "MakeWWWHelp excledt.html" -label "Web page" |
|---|
| 1724 | .a.help.menu add command -command about -label About |
|---|
| 1725 | |
|---|
| 1726 | pack .a -side top -fill both |
|---|
| 1727 | pack $box -fill both -expand yes |
|---|
| 1728 | |
|---|
| 1729 | if {[expload $expnam.EXP] < 0} {exit} |
|---|
| 1730 | mapexp |
|---|
| 1731 | |
|---|
| 1732 | updateplot |
|---|
| 1733 | trace variable peakinfo w plotdata |
|---|
| 1734 | |
|---|
| 1735 | # catch exits -- launch POWPREF; if changes non-zero |
|---|
| 1736 | wm protocol . WM_DELETE_WINDOW {CheckChanges;exit} |
|---|
| 1737 | bind all <Control-KeyPress-c> {CheckChanges;exit} |
|---|
| 1738 | # respond to resize events |
|---|
| 1739 | bind . <Configure> scheduleFillExclRegionBox |
|---|
