| 1 | #!/usr/local/bin/wish |
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| 2 | # $Id: widplt 363 2009-12-04 23:04:55Z toby $ |
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| 3 | set Revision {$Revision: 363 $ $Date: 2009-12-04 23:04:55 +0000 (Fri, 04 Dec 2009) $} |
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| 4 | bind all <Control-KeyPress-c> {destroy .} |
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| 5 | set expnam [lindex $argv 0] |
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| 6 | if {$expnam != ""} { |
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| 7 | if {[string toupper [file extension $expnam]] != ".EXP"} { |
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| 8 | append expnam ".EXP" |
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| 9 | } |
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| 10 | } |
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| 11 | if [catch {package require BLT} errmsg] { |
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| 12 | tk_dialog .err "BLT Error" "Error -- Unable to load the BLT package" \ |
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| 13 | error 0 Quit |
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| 14 | destroy . |
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| 15 | } |
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| 16 | |
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| 17 | # handle Tcl/Tk v8+ where BLT is in a namespace |
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| 18 | # use the command so that it is loaded |
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| 19 | catch {blt::graph} |
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| 20 | catch { |
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| 21 | namespace import blt::graph |
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| 22 | namespace import blt::vector |
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| 23 | } |
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| 24 | # old versions of blt don't report a version number |
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| 25 | if [catch {set blt_version}] {set blt_version 0} |
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| 26 | |
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| 27 | set expgui(debug) 0 |
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| 28 | catch {if $env(DEBUG) {set expgui(debug) 1}} |
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| 29 | #set expgui(debug) 1 |
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| 30 | |
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| 31 | proc waitmsg {message} { |
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| 32 | set w .wait |
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| 33 | # kill any window/frame with this name |
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| 34 | catch {destroy $w} |
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| 35 | pack [frame $w] |
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| 36 | frame $w.bot -relief raised -bd 1 |
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| 37 | pack $w.bot -side bottom -fill both |
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| 38 | frame $w.top -relief raised -bd 1 |
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| 39 | pack $w.top -side top -fill both -expand 1 |
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| 40 | label $w.msg -justify left -text $message -wrap 3i |
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| 41 | catch {$w.msg configure -font \ |
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| 42 | -Adobe-Times-Medium-R-Normal--*-180-*-*-*-*-*-* |
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| 43 | } |
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| 44 | pack $w.msg -in $w.top -side right -expand 1 -fill both -padx 3m -pady 3m |
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| 45 | label $w.bitmap -bitmap info |
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| 46 | pack $w.bitmap -in $w.top -side left -padx 3m -pady 3m |
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| 47 | update |
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| 48 | } |
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| 49 | |
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| 50 | proc donewaitmsg {} { |
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| 51 | catch {destroy .wait} |
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| 52 | update |
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| 53 | } |
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| 54 | |
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| 55 | if {$expnam != ""} {waitmsg "Loading $expnam, Please wait"} |
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| 56 | |
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| 57 | # get profile information out from a EXP file |
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| 58 | proc getprofiles {expnam} { |
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| 59 | global datalist wave XY UVWP lblarr ttrange |
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| 60 | |
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| 61 | if {[expload $expnam] == -1} { |
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| 62 | tk_dialog .err "EXP Error" "Warning -- Unable to read $expnam" \ |
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| 63 | error 0 OK |
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| 64 | return |
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| 65 | } |
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| 66 | mapexp |
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| 67 | |
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| 68 | global expmap |
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| 69 | foreach hist $expmap(powderlist) { |
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| 70 | # wavelength |
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| 71 | set lambda1 [histinfo $hist lam1] |
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| 72 | # data range |
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| 73 | set drange [readexp "HST $hist TRNGE"] |
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| 74 | foreach phase $expmap(phaselist_$hist) { |
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| 75 | set ptype [hapinfo $hist $phase proftype] |
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| 76 | set pterms [hapinfo $hist $phase profterms] |
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| 77 | set key "H${hist}P${phase}" |
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| 78 | # make sure the key is not present already |
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| 79 | if {[lsearch $datalist $key] == -1} { |
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| 80 | lappend datalist $key |
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| 81 | } |
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| 82 | set lblarr($key) "Histogram $hist Phase $phase" |
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| 83 | set wave($key) $lambda1 |
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| 84 | set ttrange($key) $drange |
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| 85 | if {$ptype == 1} { |
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| 86 | set UVWP($key) "[hapinfo $hist $phase pterm1] [hapinfo $hist $phase pterm2] [hapinfo $hist $phase pterm3] 0" |
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| 87 | set XY($key) {0 0} |
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| 88 | } elseif {$ptype == 2} { |
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| 89 | set UVWP($key) "[hapinfo $hist $phase pterm1] [hapinfo $hist $phase pterm2] [hapinfo $hist $phase pterm3] [hapinfo $hist $phase pterm9]" |
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| 90 | set XY($key) "[hapinfo $hist $phase pterm4] [hapinfo $hist $phase pterm5]" |
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| 91 | } elseif {$ptype == 3 || $ptype == 4} { |
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| 92 | set UVWP($key) "[hapinfo $hist $phase pterm1] [hapinfo $hist $phase pterm2] [hapinfo $hist $phase pterm3] [hapinfo $hist $phase pterm4]" |
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| 93 | set XY($key) "[hapinfo $hist $phase pterm5] [hapinfo $hist $phase pterm6]" |
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| 94 | } |
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| 95 | } |
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| 96 | } |
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| 97 | } |
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| 98 | |
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| 99 | proc makepostscriptout {} { |
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| 100 | global graph box |
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| 101 | if !$graph(printout) { |
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| 102 | set out [open "| $graph(outcmd) >& widplt.msg" w] |
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| 103 | catch { |
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| 104 | puts $out [$box postscript output -landscape 1 \ |
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| 105 | -decorations no -height 7.i -width 9.5i] |
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| 106 | close $out |
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| 107 | } msg |
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| 108 | catch { |
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| 109 | set out [open widplt.msg r] |
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| 110 | if {$msg != ""} {append msg "\n"} |
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| 111 | append msg [read $out] |
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| 112 | close $out |
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| 113 | file delete widplt.msg |
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| 114 | } |
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| 115 | if {$msg != ""} { |
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| 116 | tk_dialog .msg "file created" \ |
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| 117 | "Postscript file processed with command \ |
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| 118 | $graph(outcmd). Result: $msg" "" 0 OK |
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| 119 | } else { |
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| 120 | tk_dialog .msg "file created" \ |
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| 121 | "Postscript file processed with command \ |
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| 122 | $graph(outcmd)" "" 0 OK |
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| 123 | } |
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| 124 | } else { |
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| 125 | $box postscript output $graph(outname) -landscape 1 \ |
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| 126 | -decorations no -height 7.i -width 9.5i |
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| 127 | tk_dialog .msg "file created" \ |
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| 128 | "Postscript file $graph(outname) created" "" 0 OK |
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| 129 | } |
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| 130 | } |
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| 131 | |
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| 132 | proc setprintopt {page} { |
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| 133 | global graph |
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| 134 | if $graph(printout) { |
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| 135 | $page.4.1 config -fg black |
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| 136 | $page.4.2 config -fg black -state normal |
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| 137 | $page.6.1 config -fg #888 |
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| 138 | $page.6.2 config -fg #888 -state disabled |
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| 139 | } else { |
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| 140 | $page.4.1 config -fg #888 |
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| 141 | $page.4.2 config -fg #888 -state disabled |
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| 142 | $page.6.1 config -fg black |
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| 143 | $page.6.2 config -fg black -state normal |
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| 144 | } |
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| 145 | } |
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| 146 | |
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| 147 | proc seteqwave {top} { |
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| 148 | global graph |
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| 149 | set box .wave |
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| 150 | catch {destroy $box} |
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| 151 | toplevel $box |
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| 152 | focus $box |
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| 153 | grab $box |
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| 154 | pack [frame $box.1] -side top |
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| 155 | pack [label $box.1.a -text "Equivalent wavelength:"] -side top |
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| 156 | pack [entry $box.1.b -textvariable graph(equivwave)] -side top |
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| 157 | pack [frame $box.2] -side top |
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| 158 | pack [button $box.2.c -text Clear -command "set graph(equivwave) {}; destroy $box"] |
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| 159 | pack [button $box.2.u -text Use -command "destroy $box"] |
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| 160 | tkwait window $box |
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| 161 | plotdata $top |
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| 162 | } |
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| 163 | |
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| 164 | proc setpostscriptout {} { |
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| 165 | global graph tcl_platform |
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| 166 | set box .out |
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| 167 | catch {destroy $box} |
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| 168 | toplevel $box |
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| 169 | focus $box |
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| 170 | grab $box |
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| 171 | pack [frame $box.4] -side top -anchor w -fill x |
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| 172 | pack [checkbutton $box.4.a -text "Write PostScript files" \ |
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| 173 | -variable graph(printout) -offvalue 0 -onvalue 1 \ |
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| 174 | -command "setprintopt $box"] -side left -anchor w |
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| 175 | pack [entry $box.4.2 -textvariable graph(outname)] -side right -anchor w |
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| 176 | pack [label $box.4.1 -text "PostScript file name:"] -side right -anchor w |
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| 177 | pack [frame $box.6] -side top -anchor w -fill x |
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| 178 | pack [checkbutton $box.6.a -text "Print PostScript files" \ |
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| 179 | -variable graph(printout) -offvalue 1 -onvalue 0 \ |
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| 180 | -command "setprintopt $box" ] -side left -anchor w |
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| 181 | pack [entry $box.6.2 -textvariable graph(outcmd)] -side right -anchor w |
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| 182 | pack [label $box.6.1 -text "Command to print files:"] -side right -anchor w |
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| 183 | |
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| 184 | pack [button $box.a -text "Close" -command "destroy $box"] -side top |
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| 185 | if {$tcl_platform(platform) == "windows"} { |
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| 186 | set graph(printout) 1 |
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| 187 | $box.4.a config -state disabled |
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| 188 | $box.6.a config -fg #888 -state disabled |
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| 189 | } |
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| 190 | setprintopt $box |
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| 191 | } |
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| 192 | |
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| 193 | proc aboutwidplot {} { |
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| 194 | global Revision |
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| 195 | tk_dialog .warn About " |
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| 196 | GSAS\n\ |
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| 197 | A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\ |
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| 198 | WIDPLT\nB. Toby, NIST\nNot subject to copyright\n\n\ |
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| 199 | $Revision\n\ |
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| 200 | " {} 0 OK |
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| 201 | } |
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| 202 | |
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| 203 | proc nextcolor {var} { |
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| 204 | set num [uplevel "incr $var"] |
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| 205 | return [lindex {red green blue cyan magenta yellow} [expr $num % 6]] |
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| 206 | } |
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| 207 | |
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| 208 | proc newmenu {} { |
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| 209 | global newmenu datanum |
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| 210 | incr datanum |
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| 211 | set base .new |
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| 212 | catch {destroy $base} |
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| 213 | toplevel $base |
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| 214 | focus $base |
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| 215 | grab $base |
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| 216 | wm title $base {Enter a new profile} |
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| 217 | label $base.label#7 -text Gaussian |
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| 218 | label $base.label#8 -text Lorentz |
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| 219 | label $base.label#1 -text U |
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| 220 | label $base.label#2 -text V |
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| 221 | label $base.label#3 -text W |
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| 222 | label $base.label#4 -text P |
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| 223 | label $base.label#5 -text X |
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| 224 | label $base.label#6 -text Y |
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| 225 | entry $base.entry#1 -textvariable newmenu(U) -width 8 |
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| 226 | entry $base.entry#2 -textvariable newmenu(V) -width 8 |
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| 227 | entry $base.entry#3 -textvariable newmenu(W) -width 8 |
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| 228 | entry $base.entry#4 -textvariable newmenu(P) -width 8 |
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| 229 | entry $base.entry#5 -textvariable newmenu(X) -width 8 |
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| 230 | entry $base.entry#6 -textvariable newmenu(Y) -width 8 |
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| 231 | |
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| 232 | label $base.label#9 -text label |
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| 233 | entry $base.entry#7 -textvariable newmenu(label) |
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| 234 | |
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| 235 | label $base.label#11 -text {2Theta Min} |
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| 236 | entry $base.entry#9 -textvariable newmenu(min) -width 6 |
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| 237 | label $base.label#12 -text {2Theta Max} |
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| 238 | entry $base.entry#10 -textvariable newmenu(max) -width 6 |
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| 239 | |
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| 240 | label $base.label#13 -text Wavelength |
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| 241 | |
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| 242 | entry $base.entry#11 -textvariable newmenu(wave) -width 8 |
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| 243 | |
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| 244 | button $base.button#1 -text Add -command "addopt; destroy $base" |
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| 245 | button $base.button#2 -text Quit -command "destroy $base" |
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| 246 | |
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| 247 | # Geometry management |
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| 248 | |
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| 249 | grid $base.label#7 -in $base -row 2 -column 1 -columnspan 4 |
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| 250 | grid $base.label#8 -in $base -row 2 -column 6 -columnspan 2 |
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| 251 | grid $base.label#1 -in $base -row 3 -column 1 |
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| 252 | grid $base.label#2 -in $base -row 3 -column 2 |
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| 253 | grid $base.label#3 -in $base -row 3 -column 3 |
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| 254 | grid $base.label#4 -in $base -row 3 -column 4 |
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| 255 | grid $base.label#5 -in $base -row 3 -column 6 |
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| 256 | grid $base.label#6 -in $base -row 3 -column 7 |
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| 257 | grid $base.entry#1 -in $base -row 4 -column 1 |
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| 258 | grid $base.entry#2 -in $base -row 4 -column 2 |
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| 259 | grid $base.entry#3 -in $base -row 4 -column 3 |
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| 260 | grid $base.entry#4 -in $base -row 4 -column 4 |
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| 261 | grid $base.entry#5 -in $base -row 4 -column 6 |
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| 262 | grid $base.entry#6 -in $base -row 4 -column 7 |
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| 263 | grid $base.label#9 -in $base -row 5 -column 1 |
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| 264 | grid $base.entry#7 -in $base -row 5 -column 2 -columnspan 3 |
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| 265 | grid $base.label#13 -in $base -row 5 -column 5 -columnspan 2 |
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| 266 | grid $base.entry#11 -in $base -row 5 -column 7 |
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| 267 | grid $base.label#11 -in $base -row 6 -column 1 |
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| 268 | grid $base.entry#9 -in $base -row 6 -column 2 |
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| 269 | grid $base.label#12 -in $base -row 6 -column 3 |
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| 270 | grid $base.entry#10 -in $base -row 6 -column 4 |
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| 271 | grid $base.button#1 -in $base -row 6 -column 6 |
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| 272 | grid $base.button#2 -in $base -row 6 -column 7 |
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| 273 | |
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| 274 | # Resize behavior management |
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| 275 | |
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| 276 | grid rowconfigure $base 2 -weight 1 -minsize 17 |
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| 277 | grid rowconfigure $base 3 -weight 0 -minsize 19 |
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| 278 | grid rowconfigure $base 4 -weight 0 -minsize 30 |
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| 279 | grid rowconfigure $base 5 -weight 0 -minsize 30 |
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| 280 | grid rowconfigure $base 6 -weight 0 -minsize 30 |
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| 281 | grid columnconfigure $base 1 -weight 0 -minsize 26 |
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| 282 | grid columnconfigure $base 2 -weight 0 -minsize 30 |
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| 283 | grid columnconfigure $base 3 -weight 0 -minsize 30 |
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| 284 | grid columnconfigure $base 4 -weight 0 -minsize 65 |
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| 285 | grid columnconfigure $base 5 -weight 1 -minsize 26 |
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| 286 | grid columnconfigure $base 6 -weight 0 -minsize 30 |
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| 287 | grid columnconfigure $base 7 -weight 0 -minsize 30 |
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| 288 | set newmenu(U) 0 |
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| 289 | set newmenu(V) 0 |
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| 290 | set newmenu(W) 0 |
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| 291 | set newmenu(P) 0 |
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| 292 | set newmenu(X) 0 |
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| 293 | set newmenu(Y) 0 |
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| 294 | set newmenu(min) 5 |
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| 295 | set newmenu(max) 100 |
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| 296 | set newmenu(label) "Curve #$datanum" |
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| 297 | set newmenu(wave) 1.5418 |
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| 298 | } |
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| 299 | |
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| 300 | proc addopt {} { |
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| 301 | global newmenu datanum lblarr display UVWP XY datalist ttrange wave |
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| 302 | set key new$datanum |
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| 303 | set UVWP($key) [list $newmenu(U) $newmenu(V) $newmenu(W) $newmenu(P)] |
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| 304 | set XY($key) [list $newmenu(X) $newmenu(Y)] |
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| 305 | set lblarr($key) $newmenu(label) |
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| 306 | set ttrange($key) "$newmenu(min) $newmenu(max)" |
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| 307 | set wave($key) $newmenu(wave) |
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| 308 | lappend datalist $key |
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| 309 | .a.plot.menu add checkbutton -label $lblarr($key) \ |
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| 310 | -command {plotdata $box} -variable display($key) |
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| 311 | } |
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| 312 | |
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| 313 | proc editmenu {} { |
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| 314 | global newmenu datalist lblarr |
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| 315 | set base .edit |
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| 316 | catch {destroy $base} |
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| 317 | toplevel $base |
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| 318 | focus $base |
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| 319 | grab $base |
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| 320 | wm title $base {Edit a profile} |
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| 321 | label $base.label#7 -text Gaussian |
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| 322 | label $base.label#8 -text Lorentz |
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| 323 | label $base.label#1 -text U |
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| 324 | label $base.label#2 -text V |
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| 325 | label $base.label#3 -text W |
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| 326 | label $base.label#4 -text P |
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| 327 | label $base.label#5 -text X |
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| 328 | label $base.label#6 -text Y |
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| 329 | entry $base.entry#1 -textvariable newmenu(U) -width 8 |
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| 330 | entry $base.entry#2 -textvariable newmenu(V) -width 8 |
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| 331 | entry $base.entry#3 -textvariable newmenu(W) -width 8 |
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| 332 | entry $base.entry#4 -textvariable newmenu(P) -width 8 |
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| 333 | entry $base.entry#5 -textvariable newmenu(X) -width 8 |
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| 334 | entry $base.entry#6 -textvariable newmenu(Y) -width 8 |
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| 335 | |
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| 336 | label $base.label#9 -text {Select an option} |
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| 337 | set llist {} |
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| 338 | foreach item $datalist {lappend llist $lblarr($item)} |
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| 339 | eval tk_optionMenu $base.entry#7 newmenu(opt) $llist |
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| 340 | |
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| 341 | label $base.label#11 -text {2Theta Min} |
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| 342 | entry $base.entry#9 -textvariable newmenu(min) -width 6 |
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| 343 | label $base.label#12 -text {2Theta Max} |
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| 344 | entry $base.entry#10 -textvariable newmenu(max) -width 6 |
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| 345 | |
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| 346 | label $base.label#13 -text Wavelength |
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| 347 | |
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| 348 | entry $base.entry#11 -textvariable newmenu(wave) -width 8 |
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| 349 | |
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| 350 | button $base.button#1 -text Save -command "saveopt" |
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| 351 | button $base.button#2 -text Quit -command "destroy $base" |
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| 352 | |
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| 353 | # Geometry management |
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| 354 | |
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| 355 | grid $base.label#9 -in $base -row 1 -column 1 -columnspan 2 \ |
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| 356 | -sticky e |
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| 357 | grid $base.entry#7 -in $base -row 1 -column 3 -columnspan 3 \ |
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| 358 | -sticky w |
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| 359 | grid $base.label#7 -in $base -row 2 -column 1 -columnspan 4 |
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| 360 | grid $base.label#8 -in $base -row 2 -column 6 -columnspan 2 |
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| 361 | grid $base.label#1 -in $base -row 3 -column 1 |
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| 362 | grid $base.label#2 -in $base -row 3 -column 2 |
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| 363 | grid $base.label#3 -in $base -row 3 -column 3 |
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| 364 | grid $base.label#4 -in $base -row 3 -column 4 |
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| 365 | grid $base.label#5 -in $base -row 3 -column 6 |
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| 366 | grid $base.label#6 -in $base -row 3 -column 7 |
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| 367 | grid $base.entry#1 -in $base -row 4 -column 1 |
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| 368 | grid $base.entry#2 -in $base -row 4 -column 2 |
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| 369 | grid $base.entry#3 -in $base -row 4 -column 3 |
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| 370 | grid $base.entry#4 -in $base -row 4 -column 4 |
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| 371 | grid $base.entry#5 -in $base -row 4 -column 6 |
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| 372 | grid $base.entry#6 -in $base -row 4 -column 7 |
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| 373 | grid $base.label#13 -in $base -row 5 -column 5 -columnspan 2 |
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| 374 | grid $base.entry#11 -in $base -row 5 -column 7 |
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| 375 | grid $base.label#11 -in $base -row 6 -column 1 |
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| 376 | grid $base.entry#9 -in $base -row 6 -column 2 |
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| 377 | grid $base.label#12 -in $base -row 6 -column 3 |
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| 378 | grid $base.entry#10 -in $base -row 6 -column 4 |
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| 379 | grid $base.button#1 -in $base -row 6 -column 6 |
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| 380 | grid $base.button#2 -in $base -row 6 -column 7 |
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| 381 | |
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| 382 | # Resize behavior management |
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| 383 | |
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| 384 | grid rowconfigure $base 1 -weight 0 -minsize 30 |
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| 385 | grid rowconfigure $base 2 -weight 1 -minsize 17 |
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| 386 | grid rowconfigure $base 3 -weight 0 -minsize 19 |
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| 387 | grid rowconfigure $base 4 -weight 0 -minsize 30 |
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| 388 | grid rowconfigure $base 5 -weight 0 -minsize 30 |
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| 389 | grid rowconfigure $base 6 -weight 0 -minsize 30 |
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| 390 | grid columnconfigure $base 1 -weight 0 -minsize 26 |
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| 391 | grid columnconfigure $base 2 -weight 0 -minsize 30 |
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| 392 | grid columnconfigure $base 3 -weight 0 -minsize 30 |
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| 393 | grid columnconfigure $base 4 -weight 0 -minsize 65 |
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| 394 | grid columnconfigure $base 5 -weight 1 -minsize 26 |
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| 395 | grid columnconfigure $base 6 -weight 0 -minsize 30 |
|---|
| 396 | grid columnconfigure $base 7 -weight 0 -minsize 30 |
|---|
| 397 | set newmenu(U) {} |
|---|
| 398 | set newmenu(V) {} |
|---|
| 399 | set newmenu(W) {} |
|---|
| 400 | set newmenu(P) {} |
|---|
| 401 | set newmenu(X) {} |
|---|
| 402 | set newmenu(Y) {} |
|---|
| 403 | set newmenu(min) {} |
|---|
| 404 | set newmenu(max) {} |
|---|
| 405 | set newmenu(label) {} |
|---|
| 406 | set newmenu(wave) {} |
|---|
| 407 | set newmenu(opt) {} |
|---|
| 408 | } |
|---|
| 409 | |
|---|
| 410 | proc saveopt {} { |
|---|
| 411 | global newmenu datanum lblarr display UVWP XY datalist ttrange wave box |
|---|
| 412 | set key {} |
|---|
| 413 | foreach item $datalist { |
|---|
| 414 | if {$lblarr($item) == $newmenu(opt)} {set key $item; break} |
|---|
| 415 | } |
|---|
| 416 | if {$key == ""} return |
|---|
| 417 | set UVWP($key) [list $newmenu(U) $newmenu(V) $newmenu(W) $newmenu(P)] |
|---|
| 418 | set XY($key) [list $newmenu(X) $newmenu(Y)] |
|---|
| 419 | set ttrange($key) "$newmenu(min) $newmenu(max)" |
|---|
| 420 | set wave($key) $newmenu(wave) |
|---|
| 421 | plotdata $box |
|---|
| 422 | } |
|---|
| 423 | |
|---|
| 424 | proc loadopt {a1 a2 a3} { |
|---|
| 425 | global newmenu lblarr display UVWP XY datalist ttrange newmenu wave |
|---|
| 426 | set key {} |
|---|
| 427 | foreach item $datalist { |
|---|
| 428 | if {$lblarr($item) == $newmenu(opt)} {set key $item; break} |
|---|
| 429 | } |
|---|
| 430 | if {$key == ""} return |
|---|
| 431 | set newmenu(U) [lindex $UVWP($key) 0] |
|---|
| 432 | set newmenu(V) [lindex $UVWP($key) 1] |
|---|
| 433 | set newmenu(W) [lindex $UVWP($key) 2] |
|---|
| 434 | set newmenu(P) [lindex $UVWP($key) 3] |
|---|
| 435 | set newmenu(X) [lindex $XY($key) 0] |
|---|
| 436 | set newmenu(Y) [lindex $XY($key) 1] |
|---|
| 437 | set newmenu(min) [lindex $ttrange($key) 0] |
|---|
| 438 | set newmenu(max) [lindex $ttrange($key) 1] |
|---|
| 439 | set newmenu(wave) $wave($key) |
|---|
| 440 | } |
|---|
| 441 | |
|---|
| 442 | proc plotdata {top} { |
|---|
| 443 | global UVWP XY wave lblarr datalist display \ |
|---|
| 444 | graph ttrange |
|---|
| 445 | if {$graph(plotunits) == "d"} { |
|---|
| 446 | $top xaxis configure -title "d (A)" |
|---|
| 447 | } elseif {$graph(plotunits) == "q"} { |
|---|
| 448 | $top xaxis configure -title "Q (A-1)" |
|---|
| 449 | } elseif {$graph(equivwave) == ""} { |
|---|
| 450 | $top xaxis configure -title "2Theta" |
|---|
| 451 | } else { |
|---|
| 452 | $top xaxis configure -title "2Theta @ $graph(equivwave)" |
|---|
| 453 | } |
|---|
| 454 | $top yaxis configure -min 0 |
|---|
| 455 | $top xaxis configure -min 0 |
|---|
| 456 | # delete all graphs |
|---|
| 457 | eval $top element delete [$top element names] |
|---|
| 458 | set num -1 |
|---|
| 459 | foreach item $datalist { |
|---|
| 460 | if {$display($item)} { |
|---|
| 461 | if {[expr [lindex $XY($item) 0] + [lindex $XY($item) 1]] != 0} { |
|---|
| 462 | set lflag 1 |
|---|
| 463 | } else { |
|---|
| 464 | set lflag 0 |
|---|
| 465 | } |
|---|
| 466 | set ttlist {} |
|---|
| 467 | set fwhmlist {} |
|---|
| 468 | set lfwhmlist {} |
|---|
| 469 | set tfwhmlist {} |
|---|
| 470 | # loop over two-theta |
|---|
| 471 | for {set tt [lindex $ttrange($item) 0]} \ |
|---|
| 472 | {$tt <= [lindex $ttrange($item) 1]} \ |
|---|
| 473 | {set tt [expr $tt + 4]} { |
|---|
| 474 | set lfwhm 0 |
|---|
| 475 | catch { |
|---|
| 476 | if {$graph(plotunits) == "d"} { |
|---|
| 477 | lappend ttlist [tt2d $wave($item) $tt ] |
|---|
| 478 | set gfwhm [deltad $wave($item) $tt \ |
|---|
| 479 | [eval FWHM $tt $UVWP($item)]] |
|---|
| 480 | lappend fwhmlist $gfwhm |
|---|
| 481 | if $lflag { |
|---|
| 482 | set lfwhm [deltad $wave($item) $tt \ |
|---|
| 483 | [eval LFWHM $tt $XY($item)]] |
|---|
| 484 | lappend lfwhmlist $lfwhm |
|---|
| 485 | } |
|---|
| 486 | } elseif {$graph(plotunits) == "q"} { |
|---|
| 487 | lappend ttlist [tt2Q $wave($item) $tt ] |
|---|
| 488 | set gfwhm [deltaQ $wave($item) $tt \ |
|---|
| 489 | [eval FWHM $tt $UVWP($item)]] |
|---|
| 490 | lappend fwhmlist $gfwhm |
|---|
| 491 | if $lflag { |
|---|
| 492 | set lfwhm [deltaQ $wave($item) $tt \ |
|---|
| 493 | [eval LFWHM $tt $XY($item)]] |
|---|
| 494 | lappend lfwhmlist $lfwhm |
|---|
| 495 | } |
|---|
| 496 | } elseif {$graph(equivwave) == ""} { |
|---|
| 497 | lappend ttlist $tt |
|---|
| 498 | set gfwhm [eval FWHM $tt $UVWP($item)] |
|---|
| 499 | lappend fwhmlist $gfwhm |
|---|
| 500 | if $lflag { |
|---|
| 501 | set lfwhm [eval LFWHM $tt $XY($item)] |
|---|
| 502 | lappend lfwhmlist $lfwhm |
|---|
| 503 | } |
|---|
| 504 | } else { |
|---|
| 505 | set tteq [ttequiv $wave($item) $tt $graph(equivwave)] |
|---|
| 506 | if {$tteq != ""} { |
|---|
| 507 | lappend ttlist $tteq |
|---|
| 508 | set gfwhm [delta2teq $wave($item) $tt \ |
|---|
| 509 | [eval FWHM $tt $UVWP($item)] $graph(equivwave)] |
|---|
| 510 | lappend fwhmlist $gfwhm |
|---|
| 511 | if $lflag { |
|---|
| 512 | set lfwhm [delta2teq $wave($item) $tt \ |
|---|
| 513 | [eval LFWHM $tt $XY($item)] $graph(equivwave)] |
|---|
| 514 | lappend lfwhmlist $lfwhm |
|---|
| 515 | } |
|---|
| 516 | } |
|---|
| 517 | } |
|---|
| 518 | # assume FWHM add as square roots |
|---|
| 519 | lappend tfwhmlist \ |
|---|
| 520 | [expr sqrt($gfwhm*$gfwhm + $lfwhm*$lfwhm)] |
|---|
| 521 | } |
|---|
| 522 | } |
|---|
| 523 | if $lflag { |
|---|
| 524 | catch { |
|---|
| 525 | $top element create ${item}G -label "$lblarr($item) G" |
|---|
| 526 | } |
|---|
| 527 | $top element config ${item}G \ |
|---|
| 528 | -xdata $ttlist -ydata $fwhmlist -linewidth 3 \ |
|---|
| 529 | -color [nextcolor num] |
|---|
| 530 | catch { |
|---|
| 531 | $top element create ${item}L -label "$lblarr($item) L" |
|---|
| 532 | } |
|---|
| 533 | $top element config ${item}L \ |
|---|
| 534 | -xdata $ttlist -ydata $lfwhmlist -linewidth 3 \ |
|---|
| 535 | -color [nextcolor num] |
|---|
| 536 | } |
|---|
| 537 | catch { |
|---|
| 538 | $top element create $item -label $lblarr($item) |
|---|
| 539 | } |
|---|
| 540 | $top element config $item \ |
|---|
| 541 | -xdata $ttlist -ydata $tfwhmlist -linewidth 3 \ |
|---|
| 542 | -color [nextcolor num] |
|---|
| 543 | } |
|---|
| 544 | } |
|---|
| 545 | } |
|---|
| 546 | |
|---|
| 547 | # save some of the global options in ~/.gsas_config |
|---|
| 548 | proc SaveOptions {} { |
|---|
| 549 | global graph |
|---|
| 550 | set fp [open [file join ~ .gsas_config] a] |
|---|
| 551 | puts $fp "set graph(legend) $graph(legend)" |
|---|
| 552 | puts $fp "set graph(printout) $graph(printout)" |
|---|
| 553 | puts $fp "set graph(outname) $graph(outname)" |
|---|
| 554 | puts $fp "set graph(outcmd) $graph(outcmd)" |
|---|
| 555 | puts $fp "set graph(plotunits) $graph(plotunits)" |
|---|
| 556 | puts $fp "set graph(equivwave) $graph(equivwave)" |
|---|
| 557 | close $fp |
|---|
| 558 | } |
|---|
| 559 | #------------------------------------------------------------------------- |
|---|
| 560 | # converts 2theta(deg) to Q (A-1) |
|---|
| 561 | proc tt2Q {lambda twotheta} { |
|---|
| 562 | set pi 3.14159 |
|---|
| 563 | set torad [expr $pi / 360.] |
|---|
| 564 | return [expr 4 * $pi / ($lambda) * sin (($twotheta) * $torad)] |
|---|
| 565 | } |
|---|
| 566 | |
|---|
| 567 | # converts Q (A-1) to 2theta(deg) |
|---|
| 568 | proc Q2tt {lambda Q} { |
|---|
| 569 | set pi 3.14159 |
|---|
| 570 | set todeg [expr 360. / $pi] |
|---|
| 571 | set asinarg [expr ($lambda) * $Q * 0.25 / $pi] |
|---|
| 572 | if {$asinarg <= 1} { |
|---|
| 573 | return [expr $todeg * asin ($asinarg)] |
|---|
| 574 | } |
|---|
| 575 | return {} |
|---|
| 576 | } |
|---|
| 577 | |
|---|
| 578 | # converts a FWHM in 2theta(deg) to a FWHM in Q (A-1) |
|---|
| 579 | proc deltaQ {lambda twotheta FWHM} { |
|---|
| 580 | return [expr [tt2Q $lambda $twotheta+($FWHM/2.)] - \ |
|---|
| 581 | [tt2Q $lambda $twotheta-($FWHM/2.)] ] |
|---|
| 582 | } |
|---|
| 583 | |
|---|
| 584 | # converts 2theta(deg) to d (A) |
|---|
| 585 | proc tt2d {lambda twotheta} { |
|---|
| 586 | set pi 3.14159 |
|---|
| 587 | set torad [expr $pi / 360.] |
|---|
| 588 | return [expr 0.5 * ($lambda) / sin (($twotheta) * $torad)] |
|---|
| 589 | } |
|---|
| 590 | |
|---|
| 591 | # converts d (A) to 2theta(deg) |
|---|
| 592 | proc d2tt {lambda d} { |
|---|
| 593 | set pi 3.14159 |
|---|
| 594 | set todeg [expr 360. / $pi] |
|---|
| 595 | set asinarg [expr ($lambda) * 0.5 / $d] |
|---|
| 596 | if {$asinarg <= 1} { |
|---|
| 597 | return [expr $todeg * asin ($asinarg)] |
|---|
| 598 | } |
|---|
| 599 | return {} |
|---|
| 600 | } |
|---|
| 601 | |
|---|
| 602 | # converts a FWHM in 2theta(deg) to a FWHM in Q (A-1) |
|---|
| 603 | proc deltad {lambda twotheta FWHM} { |
|---|
| 604 | return [expr [tt2d $lambda $twotheta-($FWHM/2.)] - \ |
|---|
| 605 | [tt2d $lambda $twotheta+($FWHM/2.)] ] |
|---|
| 606 | } |
|---|
| 607 | |
|---|
| 608 | # computes an equivalent 2theta at a different wavelength |
|---|
| 609 | proc ttequiv {lambda twotheta lambda_eq} { |
|---|
| 610 | return [Q2tt $lambda_eq [tt2Q $lambda $twotheta]] |
|---|
| 611 | } |
|---|
| 612 | |
|---|
| 613 | # converts a FWHM in 2theta(deg) to a FWHM at in 2theta |
|---|
| 614 | # at a different wavelength |
|---|
| 615 | proc delta2teq {lambda twotheta FWHM lambda_eq} { |
|---|
| 616 | return [expr [Q2tt $lambda_eq [tt2Q $lambda $twotheta+($FWHM/2.)]] - \ |
|---|
| 617 | [Q2tt $lambda_eq [tt2Q $lambda $twotheta-($FWHM/2.)]] ] |
|---|
| 618 | } |
|---|
| 619 | |
|---|
| 620 | proc FWHM {tt U V W P} { |
|---|
| 621 | set pi 3.14159 |
|---|
| 622 | set torad [expr $pi / 360.] |
|---|
| 623 | # tan theta |
|---|
| 624 | set tantt [expr tan($tt * $torad ) ] |
|---|
| 625 | set costt [expr cos($tt * $torad ) ] |
|---|
| 626 | return [expr sqrt \ |
|---|
| 627 | (8.* log(2) * ($U * $tantt * $tantt + $V * $tantt + $W \ |
|---|
| 628 | + $P / ($costt * $costt))) / 100.] |
|---|
| 629 | } |
|---|
| 630 | proc LFWHM {tt X Y} { |
|---|
| 631 | set pi 3.14159 |
|---|
| 632 | set torad [expr $pi / 360.] |
|---|
| 633 | # tan theta |
|---|
| 634 | set tantt [expr tan($tt * $torad ) ] |
|---|
| 635 | set costt [expr cos($tt * $torad ) ] |
|---|
| 636 | return [expr ($X / $costt + $Y * $tantt) / 100.] |
|---|
| 637 | } |
|---|
| 638 | |
|---|
| 639 | proc setlegend {box legend} { |
|---|
| 640 | global blt_version |
|---|
| 641 | if {$blt_version >= 2.3 && $blt_version < 8.0} { |
|---|
| 642 | if $legend { |
|---|
| 643 | $box legend config -hide no |
|---|
| 644 | } else { |
|---|
| 645 | $box legend config -hide yes |
|---|
| 646 | } |
|---|
| 647 | } else { |
|---|
| 648 | if $legend { |
|---|
| 649 | $box legend config -mapped yes |
|---|
| 650 | } else { |
|---|
| 651 | $box legend config -mapped no |
|---|
| 652 | } |
|---|
| 653 | } |
|---|
| 654 | } |
|---|
| 655 | |
|---|
| 656 | trace variable newmenu(opt) w loadopt |
|---|
| 657 | |
|---|
| 658 | set graph(legend) 0 |
|---|
| 659 | set graph(equivwave) {} |
|---|
| 660 | set graph(plotunits) tt |
|---|
| 661 | if {$tcl_platform(platform) == "windows"} { |
|---|
| 662 | set graph(printout) 1 |
|---|
| 663 | } else { |
|---|
| 664 | set graph(printout) 0 |
|---|
| 665 | } |
|---|
| 666 | set graph(outname) out.ps |
|---|
| 667 | set graph(outcmd) lpr |
|---|
| 668 | set datalist {} |
|---|
| 669 | |
|---|
| 670 | #---------------------------------------------------------------- |
|---|
| 671 | # where are we? |
|---|
| 672 | set expgui(script) [info script] |
|---|
| 673 | # translate links -- go six levels deep |
|---|
| 674 | foreach i {1 2 3 4 5 6} { |
|---|
| 675 | if {[file type $expgui(script)] == "link"} { |
|---|
| 676 | set link [file readlink $expgui(script)] |
|---|
| 677 | if { [file pathtype $link] == "absolute" } { |
|---|
| 678 | h set expgui(script) $link |
|---|
| 679 | } { |
|---|
| 680 | set expgui(script) [file dirname $expgui(script)]/$link |
|---|
| 681 | } |
|---|
| 682 | } else { |
|---|
| 683 | break |
|---|
| 684 | } |
|---|
| 685 | } |
|---|
| 686 | # fixup relative paths |
|---|
| 687 | if {[file pathtype $expgui(script)] == "relative"} { |
|---|
| 688 | set expgui(script) [file join [pwd] $expgui(script)] |
|---|
| 689 | } |
|---|
| 690 | set expgui(scriptdir) [file dirname $expgui(script) ] |
|---|
| 691 | |
|---|
| 692 | # fetch EXP file processing routines |
|---|
| 693 | source [file join $expgui(scriptdir) readexp.tcl] |
|---|
| 694 | |
|---|
| 695 | # override options with locally defined values |
|---|
| 696 | if [file exists [file join $expgui(scriptdir) localconfig]] { |
|---|
| 697 | source [file join $expgui(scriptdir) localconfig] |
|---|
| 698 | } |
|---|
| 699 | if [file exists [file join ~ .gsas_config]] { |
|---|
| 700 | source [file join ~ .gsas_config] |
|---|
| 701 | } |
|---|
| 702 | #---------------------------------------------------------------- |
|---|
| 703 | |
|---|
| 704 | if {$expnam != ""} { |
|---|
| 705 | # OK now go get the profile info |
|---|
| 706 | getprofiles $expnam |
|---|
| 707 | } |
|---|
| 708 | |
|---|
| 709 | #---------------------------------------------------------------- |
|---|
| 710 | foreach file [glob -nocomplain [file join $expgui(scriptdir) widplt_*]] { |
|---|
| 711 | source $file |
|---|
| 712 | } |
|---|
| 713 | |
|---|
| 714 | # create the graph |
|---|
| 715 | if [catch { |
|---|
| 716 | set box [graph .g] |
|---|
| 717 | } errmsg] { |
|---|
| 718 | tk_dialog .err "BLT Error" \ |
|---|
| 719 | "BLT Setup Error: could not create a graph (msg: $errmsg). \ |
|---|
| 720 | There is a problem with the setup of BLT on your system. |
|---|
| 721 | See the expgui.html file for more info." \ |
|---|
| 722 | error 0 "Quit" |
|---|
| 723 | exit |
|---|
| 724 | } |
|---|
| 725 | if [catch { |
|---|
| 726 | Blt_ZoomStack $box |
|---|
| 727 | Blt_ActiveLegend $box |
|---|
| 728 | Blt_ClosestPoint $box |
|---|
| 729 | } errmsg] { |
|---|
| 730 | tk_dialog .err "BLT Error" \ |
|---|
| 731 | "BLT Setup Error: could not access a Blt_ routine (msg: $errmsg). \ |
|---|
| 732 | The pkgIndex.tcl is probably not loading bltGraph.tcl. |
|---|
| 733 | See the expgui.html file for more info." \ |
|---|
| 734 | error 0 "Limp ahead" |
|---|
| 735 | } |
|---|
| 736 | $box config -title {} |
|---|
| 737 | $box yaxis config -title {FWHM} |
|---|
| 738 | setlegend $box $graph(legend) |
|---|
| 739 | |
|---|
| 740 | #frame .a -bd 8 -relief groove |
|---|
| 741 | frame .a -bd 2 -relief groove |
|---|
| 742 | |
|---|
| 743 | pack [menubutton .a.file -text File -underline 0 -menu .a.file.menu] -side left |
|---|
| 744 | menu .a.file.menu |
|---|
| 745 | pack [menubutton .a.plot -text "Plot Contents" -underline 0 -menu .a.plot.menu] -side left |
|---|
| 746 | menu .a.plot.menu |
|---|
| 747 | #.a.file.menu add cascade -label Tickmarks -menu .a.file.menu.tick |
|---|
| 748 | if {$expnam != ""} { |
|---|
| 749 | .a.file.menu add command -label "Reload from EXP" \ |
|---|
| 750 | -command "getprofiles $expnam; plotdata $box" |
|---|
| 751 | } |
|---|
| 752 | .a.file.menu add command -label "Add New Curve" -command newmenu |
|---|
| 753 | .a.file.menu add command -label "Edit Curve" -command editmenu |
|---|
| 754 | .a.file.menu add command -label "Make PostScript" -command makepostscriptout |
|---|
| 755 | .a.file.menu add command -label Quit -command "destroy ." |
|---|
| 756 | pack [menubutton .a.options -text Options -underline 0 -menu .a.options.menu] \ |
|---|
| 757 | -side left |
|---|
| 758 | menu .a.options.menu |
|---|
| 759 | .a.options.menu add radiobutton -label "2Theta" -value tt \ |
|---|
| 760 | -variable graph(plotunits) \ |
|---|
| 761 | -command "plotdata $box" |
|---|
| 762 | .a.options.menu add command -label "Set Equiv. Wavelength" \ |
|---|
| 763 | -command "seteqwave $box" |
|---|
| 764 | .a.options.menu add radiobutton -label "d-space" -value d \ |
|---|
| 765 | -variable graph(plotunits) \ |
|---|
| 766 | -command "plotdata $box" |
|---|
| 767 | .a.options.menu add radiobutton -label "Q" -value q \ |
|---|
| 768 | -variable graph(plotunits) \ |
|---|
| 769 | -command "plotdata $box" |
|---|
| 770 | .a.options.menu add checkbutton -label "Include legend" \ |
|---|
| 771 | -variable graph(legend) \ |
|---|
| 772 | -command {setlegend $box $graph(legend)} |
|---|
| 773 | .a.options.menu add command -label "Set PS output" \ |
|---|
| 774 | -command setpostscriptout |
|---|
| 775 | .a.options.menu add command -label "Save Options" -underline 1 \ |
|---|
| 776 | -command "SaveOptions" |
|---|
| 777 | |
|---|
| 778 | pack [menubutton .a.help -text Help -underline 0 -menu .a.help.menu] -side right |
|---|
| 779 | menu .a.help.menu -tearoff 0 |
|---|
| 780 | .a.help.menu add command -command aboutwidplot -label About |
|---|
| 781 | |
|---|
| 782 | foreach item $datalist { |
|---|
| 783 | .a.plot.menu add checkbutton -label $lblarr($item) \ |
|---|
| 784 | -command "plotdata $box" -variable display($item) |
|---|
| 785 | } |
|---|
| 786 | |
|---|
| 787 | pack .a -side top -fill both |
|---|
| 788 | pack $box -fill both -expand yes |
|---|
| 789 | set datanum 0 |
|---|
| 790 | donewaitmsg |
|---|
