source: trunk/expgui @ 306

Last change on this file since 306 was 306, checked in by toby, 11 years ago

# on 2000/10/04 20:35:17, toby did:
variable expgui(bkgcolor1) provides the background color for editing
coordinates on the phase panel

A no-shell mode is now defined using env(EXPGUI_NOSHELL) or /noshell

  • Property rcs:author set to toby
  • Property rcs:date set to 2000/10/04 20:35:17
  • Property rcs:lines set to +72 -53
  • Property rcs:rev set to 1.36
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 117.3 KB
Line 
1#!/usr/local/bin/wish
2# $Id: expgui 306 2009-12-04 23:03:51Z toby $
3set expgui(Revision) {$Revision: 306 $ $Date: 2009-12-04 23:03:51 +0000 (Fri, 04 Dec 2009) $}
4
5# to do:
6#
7# need to change heading and button label depending on where getExpFileName
8# is called from?
9#
10# global background editing & profile work differently: should both
11# start out blank with a "load from option"?
12#
13# idea:
14# a scroll list for all histogram refinement flags ; click on takes you to the
15# appropriate menu.
16#
17# idea:
18#   change cell parameters to labels and have a edit cell button
19#   that enforces metric symmetry
20#
21# to allow "global" access on phase page
22#   change buttons from radio to multiple
23#   -- or display all 9 cell flag/damps and all atoms
24#   make editMultipleRecords work with multiple phases, also cell flag/damp
25#   blank cell entries
26#   add phase to atom number in listing
27#   DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28#
29# idea: load more than one bank from a multi-bank .RAW file
30#
31if {$tcl_version < 8.0} {
32    tk_dialog .expFileErrorMsg "Version Error" \
33            "The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34    exit
35}
36
37# the shell variable tells expgui to act as a shell for GSAS
38# as well as edit the EXP file. In no-shell mode, it can
39# only be used to edit the .EXP file as a callable program
40set expgui(shell) 1
41catch {if $env(EXPGUI_NOSHELL) {set expgui(shell) 0}}
42
43if {$argv != ""} {
44    if {[string match *noshell* [string tolower $argv]]} {
45        puts noshell
46        set expgui(shell) 0
47        set expgui(expfile) [lindex $argv 1]
48    } else {
49        set expgui(expfile) [lindex $argv 0]
50    }
51    if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
52        append expgui(expfile) ".EXP"
53    }
54} else {
55    set expgui(expfile) {}
56}
57
58set expgui(curhist) {}
59set expmap(powderlist) {}
60set expgui(bkgcolor1) #fdf
61
62set expgui(debug) 0
63catch {if $env(DEBUG) {set expgui(debug) 1}}
64#set expgui(debug) 1
65
66# default for archive mode = on
67set expgui(archive) 1
68# default for autoexec load = off
69set expgui(autoexpload) 0
70# save the name of the wish executable
71set wishshell [info nameofexecutable]
72# misc constants
73set txtvw(font) "Courier"
74set expgui(coordfont) "-*-courier-bold-r-normal--12-*"
75set expgui(histfont) "-*-courier-bold-r-normal--12-*"
76set liveplot(hst) 1
77set liveplot(legend) 1
78set expgui(filesort) 1
79set expgui(initstring) {}
80# use a separate window for DISAGL (default)
81set expgui(disaglSeparateBox) 1
82set expgui(DefaultPeakType) 0
83# default: keep current atoms when replacing a phase
84set expgui(DeleteAllAtoms) 0
85#=============================================================================
86#----------------------------------------------------------------
87# where are we?
88set expgui(script) [info script]
89# translate links -- go six levels deep
90foreach i {1 2 3 4 5 6} {
91    if {[file type $expgui(script)] == "link"} {
92        set link [file readlink $expgui(script)]
93        if { [file  pathtype  $link] == "absolute" } {
94            set expgui(script) $link
95        } {
96            set expgui(script) [file dirname $expgui(script)]/$link
97        }
98    } else {
99        break
100    }
101}
102# fixup relative paths
103if {[file pathtype $expgui(script)] == "relative"} {
104    set expgui(script) [file join [pwd] $expgui(script)]
105}
106set expgui(scriptdir) [file dirname $expgui(script) ]
107set expgui(gsasdir) [file dirname $expgui(scriptdir)]
108set expgui(gsasexe) [file join $expgui(gsasdir) exe]
109#----------------------------------------------------------------
110lappend auto_path $expgui(scriptdir)
111set expgui(havetix) 0
112set expgui(haveBW) 1
113# for debugging non-BWidget version set environment variable NOBWIDGET
114catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
115if $expgui(haveBW) {
116    if [catch {package require BWidget}] {set expgui(haveBW) 0}
117}
118# get the notebook widget if not using BWidgets
119if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
120#----------------------------------------------------------------
121if [file exists [file join $expgui(scriptdir) opts.tcl]] {
122    source [file join $expgui(scriptdir) opts.tcl]
123}
124# fetch EXP file processing routines
125source [file join $expgui(scriptdir) readexp.tcl]
126# commands for running GSAS programs
127source [file join $expgui(scriptdir) gsascmds.tcl]
128# contents of GSAS menus
129source [file join $expgui(scriptdir) gsasmenu.tcl]
130# commands for adding phases, histograms & atoms
131source [file join $expgui(scriptdir) addcmds.tcl]
132# commands for preferred orientation
133source [file join $expgui(scriptdir) orient.tcl]
134#---------------------------------------------------------------------------
135# override options with locally defined values
136if [file exists [file join $expgui(scriptdir) localconfig]] {
137    source [file join $expgui(scriptdir) localconfig]
138}
139if [file exists [file join ~ .gsas_config]] {
140    source [file join ~ .gsas_config]
141}
142if {$tcl_platform(platform) == "windows"} {
143    set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
144} else {
145    set expgui(exptool) [file join $expgui(gsasexe) exptool]
146}
147#---------------------------------------------------------------------------
148if {$expgui(expfile) != ""} {
149    if ![file exists $expgui(expfile)] {
150        update
151        set ans [tk_dialog .expFileErrorMsg "File Open Error" \
152                "File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
153                error 0 "Create" "Open other"]
154        if $ans {set expgui(expfile) {}}
155    }
156}
157if {$expgui(expfile) == ""} {
158    # center the parent window because the getExpFileName window
159    # will be centered above it.
160    wm withdraw .
161    set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
162    set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
163    wm geom . +$x+$y
164    wm deiconify .
165    # windows needed this update before when using tk_getOpenFile.
166    # I am not sure it is still needed.
167    update
168    #
169    set expgui(expfile) [getExpFileName old]
170}
171if {$expgui(expfile) == ""} exit
172# you've been warned this .EXP does not exist!
173if ![file exists $expgui(expfile)] {
174    # create an "empty" exp file
175    createexp $expgui(expfile) \
176            [getstring "title for experiment $expgui(expfile)" 60 0]
177}
178catch {cd [string trim [file dirname $expgui(expfile)]]}
179
180#
181# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
182# <<<<<<<<<<    BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
183# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
184# load exp file and set up dialogs
185proc loadexp {expfile} {
186    global expgui expmap entryvar entrycmd tcl_platform
187    set exploadtime [time {set fmt [expload $expfile]}]
188    if $expgui(debug) {puts "expload $exploadtime"}
189    # if the file was not in the correct format, force a rewrite before use
190    if {$fmt < 0} {
191        # read error
192        return
193    } elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
194        set expgui(changed) 1
195    } elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
196        set expgui(changed) 1
197    } else {
198        set expgui(changed) 0
199    }
200
201    # force exp files to be upper case, force save if name changes
202    set filetail [file tail $expfile]
203    set filetailcaps [string toupper $filetail]
204    if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
205        set expgui(changed) 1
206    }
207    if {[file dirname $expfile] == "."} {
208        set expgui(expfile) $filetailcaps
209    } else {
210        set expgui(expfile) [file join \
211                [file dirname $expfile] $filetailcaps]
212    }
213
214    mapexp
215    set expgui(expModifiedLast) 0
216    catch {
217        set expgui(expModifiedLast) [file mtime $expgui(expfile)]
218    }
219    set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
220    # set the window/icon title
221    wm title . "EXPGUI $expfile"
222    set expgui(titleunchanged) 1
223    wm iconname . [file tail $expfile]
224
225    # set the number of phases on the phase page
226    setphases
227
228    # disable the "global options" that don't make sense based on
229    # which histograms present
230    foreach num {1 2 3 4 5} {
231        set flag($num) 0
232    }
233    # save a list of the allowed modes, too
234    set expgui(AllowedHistSelectModes) {0 6}
235    foreach h $expmap(powderlist) {
236        if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
237        if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
238        if {[string range $expmap(htype_$h) 1 2] == "XC" && \
239                [histinfo $h lam2] != 0.0} {set flag(3) 1}
240        if {[string range $expmap(htype_$h) 1 2] == "XC" && \
241                [histinfo $h lam2] == 0.0} {set flag(4) 1}
242        if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
243    }
244    foreach num {1 2 3 4 5} \
245            lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
246            "Energy Disp Xray"} {
247        if $flag($num) {
248            $expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
249            lappend expgui(AllowedHistSelectModes) $num
250        } else {
251            $expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
252        }
253    }
254    # disable traces on entryvar until we are ready
255    set entrycmd(trace) 0
256    trace vdelete entryvar w entvartrace
257
258    # propogate changes on the least squares page
259    set entryvar(cycles) [expinfo cycles]
260    set entrycmd(cycles) "expinfo cycles"
261    # set expgui(globalmode) 0
262    set expgui(printopt) "Print Options ([expinfo print])"
263    set entryvar(title) [expinfo title]
264    global printopts
265    foreach num [array names printopts] {
266        set entrycmd(printopt$num) "printsetting $num"
267        set entryvar(printopt$num) [printsetting $num]
268    }
269    # enable traces on entryvar
270    set entrycmd(trace) 1
271    trace variable entryvar w entvartrace
272
273    # set fo extraction on LS page
274    SetupExtractHist
275
276    # update the histogram list & update the page
277    sethistlist
278
279    # start checking for external changes
280    afterawhile
281}
282
283# called to reread the .EXP file
284proc rereadexp {expfile} {
285    global expgui
286    if $expgui(changed) {
287        set decision [tk_dialog .instrSaveData {Save .EXP changes} \
288                {You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
289                {} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
290        switch $decision {
291            0 { savearchiveexp }
292            1 { }
293            2 { return }
294        }
295    }
296    loadexp $expgui(expfile)
297}
298
299proc SaveAsFile {} {
300    global expgui
301    set newexpfile [getExpFileName new]
302    if {$newexpfile == ""} return
303    expwrite $newexpfile
304    set expgui(expfile) $newexpfile
305    catch {cd [string trim [file dirname $expgui(expfile)]]}
306    set expgui(changed) 0
307    set expgui(expModifiedLast) [file mtime $expgui(expfile)]
308    set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
309    # set the window/icon title
310    wm title . $expgui(expfile)
311    set expgui(titleunchanged) 1
312    wm iconname . [file tail $expgui(expfile)]
313}
314
315# called to read a different .EXP file
316proc readnewexp {} {
317    global expgui expmap
318    if $expgui(changed) {
319        set decision [tk_dialog .instrSaveData {Save .EXP changes} \
320                {You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
321                {} 0 "Save and read" "Read without Save" "Cancel read command"]
322        switch $decision {
323            0 { savearchiveexp }
324            1 {                }
325            2 { return }
326        }
327    }
328    set newexpfile [getExpFileName old]
329    if {$newexpfile == ""} return
330
331    # switch to the 1st page
332    RaisePage lsFrame
333
334    if ![file exists $newexpfile] {
335        # you've been warned this .EXP does not exist!
336        # create an "empty" exp file
337        createexp $newexpfile \
338                [getstring "title for experiment $newexpfile" 60 0]
339    }
340    set expgui(expfile) $newexpfile
341    catch {cd [string trim [file dirname $expgui(expfile)]]}
342    set expgui(globalmode) 0
343    loadexp $expgui(expfile)
344
345    # select the 1st phase
346    SelectOnePhase [lindex $expmap(phaselist) 0]
347    # select the first histogram in the list by default (if there are any)
348    if {[llength $expmap(histlistboxcontents)] > 0} {
349        set expgui(curhist) 0
350    } else {
351        set expgui(curhist) {}
352    }
353    if {[CountHistory] > 100} {
354        DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
355    }
356}
357
358#------------- set up data read/write layer ----------------------
359# trace routine on entryvar
360proc entvartrace {array elem action} {
361    global expgui entrycmd entryvar entrybox
362    if !$entrycmd(trace) return
363   
364    catch {
365        if {$entrycmd($elem) == ""} return
366        incr expgui(changed)
367        if $expgui(debug) {puts "$entrycmd($elem)  set $entryvar($elem) "}
368        if {$entrycmd($elem) == ""} return
369        if [catch {
370            set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
371            if {!$result} {
372                if $expgui(debug) {puts "error with $entrycmd($elem)"}
373                catch {$entrybox($elem) config -fg red}
374            } else {
375                catch {$entrybox($elem) config -fg black}
376            }
377            if {[lindex $entrycmd($elem) 0] == "atominfo"} {
378                after idle {DisplayAllAtoms noreset}
379            }
380        } errmsg] {error $errmsg}       
381    }
382}
383
384# disable traces on entryvar until we are ready
385set entrycmd(trace) 0
386trace variable entryvar w entvartrace
387
388#
389#
390#
391##############################################################################
392#####                    #####################################################
393##### PROCEDURES SECTION #####################################################
394#####                    #####################################################
395##############################################################################
396
397# save some of the global options in ~/.gsas_config
398proc SaveOptions {} {
399    global expgui env tcl_platform
400    set fp [open [file join ~ .gsas_config] a]
401    foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
402        puts $fp "set expgui($item) $expgui($item)"
403    }
404    if {$tcl_platform(platform) != "windows"} {
405        puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
406        puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
407    }
408    close $fp
409}
410
411proc About { } {
412    global expgui expmap
413    tk_dialog .about {About...} \
414"EXPGUI\n\
415Jonathan Wasserman and Brian Toby\n\
416NIST Center for Neutron Research\n\n\
4172000, Not subject to copyright\n\n\
418Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
419Generalized Structure Analysis System (GSAS)\n\
420A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
421" \
422        info 0 OK
423}
424
425# wait until idle
426proc afterawhile {} {
427    # cancel any other instances of this loop
428    after cancel afterawhile
429    after cancel whenidle
430    after cancel whenidle
431    after idle whenidle
432}
433
434# This is called every 2 seconds to check for changes to the .EXP file
435proc whenidle {} {
436    global expgui
437    if $expgui(titleunchanged) {
438        if {$expgui(changed) != 0} {
439            wm title . "$expgui(expfile) (modified)"
440            set expgui(titleunchanged) 0
441        }
442    }
443    if {$expgui(expModifiedLast) == 0} {
444        after 2000 afterawhile
445        return
446    }
447    if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
448        set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
449        if {$ans == 0} {
450            loadexp $expgui(expfile)
451        } elseif {$ans == 1} {
452            # reset the time to the next version
453            set expgui(expModifiedLast) [file mtime $expgui(expfile)]
454        } elseif {$ans == 2} {
455            savearchiveexp
456        }
457    }
458    after 2000 afterawhile
459}
460
461# place a message about changes over the main window
462proc ReloadExpMsg {file changes} {
463    global expgui tcl_platform
464    set msg "File $file has been modified by another program"
465    if {$changes == 1} {
466        append msg " and you have made a change to this version.\n"
467    } elseif {$changes > 0} {
468        append msg " and you have made $changes changes to this version.\n"
469    } else {
470        append msg ".\n"
471    }
472    append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
473
474    set w .ask
475    catch {destroy $w}
476    toplevel $w -class Dialog
477    wm title $w "Reload?"
478    wm iconname $w "Reload?"
479    wm protocol $w WM_DELETE_WINDOW { }
480    wm transient $w .
481    frame $w.bot
482    pack $w.bot -side bottom
483    frame $w.top
484    pack $w.top -side top -fill both -expand 1
485    label $w.top.msg -justify left \
486            -wraplength 5i -font {Times 18} \
487            -text $msg
488    if {$tcl_platform(platform) == "windows"} {
489        $w.top.msg config -font {Times 14}
490    }
491    pack $w.top.msg  -side right -expand 1 -fill both -padx 3m -pady 3m
492    pack [button $w.bot.1 -text "Load new" \
493            -default active -command "set expgui(dialogbutton) 0" \
494            ] -side left -expand 1 -padx 3m -pady 2m
495    pack [button $w.bot.2 -text "Continue with old" \
496            -command "set expgui(dialogbutton) 1"] \
497            -side left -expand 1 -padx 3m -pady 2m
498    if {$changes > 0} {
499        pack [button $w.bot.3 -text "Save edited version" \
500            -command "set expgui(dialogbutton) 2"] \
501            -side left -expand 1 -padx 3m -pady 2m
502    }
503    # Create a binding for <Return> on the dialog
504    bind $w <Return> "tkButtonInvoke $w.bot.1"
505    wm withdraw $w
506    update idletasks
507
508    # for windows put the box in the upper left, for
509    # unix center it over the parent (in unix it appears later)
510    #if {$tcl_platform(platform) == "windows"} {
511        #wm geom $w +0+0
512    #} else {
513
514        # for now, always center the message over the main window
515        # center the new window in the middle of the parent
516        set x [expr [winfo x .] + [winfo width .]/2 - \
517                [winfo reqwidth $w]/2 - [winfo vrootx .]]
518        set y [expr [winfo y .] + [winfo height .]/2 - \
519                [winfo reqheight $w]/2 - [winfo vrooty .]]
520        wm geom $w +$x+$y
521    #}
522    wm deiconify $w
523
524    # Grab the focus
525    set oldFocus [focus]
526    set oldGrab [grab current $w]
527    if {[string compare $oldGrab ""]} {
528        set grabStatus [grab status $oldGrab]
529    }
530    grab $w
531    focus $w.bot.1
532    # for windows rearrange window stacking
533    if {$tcl_platform(platform) == "windows"} {
534        lower .
535        raise $w .
536    }
537    update idletasks
538
539    tkwait variable expgui(dialogbutton)
540    catch {focus $oldFocus}
541    destroy $w
542    if {[string compare $oldGrab ""]} {
543        if {![string compare $grabStatus "global"]} {
544            grab -global $oldGrab
545        } else {
546            grab $oldGrab
547        }
548    }
549    # for windows rearrange window stacking
550    if {$tcl_platform(platform) == "windows"} {
551        raise .
552    }
553    return $expgui(dialogbutton)
554}
555
556# --------  called to confirm before exiting
557proc catchQuit {} {
558    if {[confirmBeforeSave] == "Continue"} {
559        destroy .
560    }
561}
562# save the .EXP file before exiting?
563proc confirmBeforeSave {} {
564    global expgui
565    if !$expgui(changed) {
566        return "Continue"
567    }
568    set decision [tk_dialog .instrSaveData {Save .EXP changes} \
569            {You have made changes to the Experiment, but the changes are not saved. Select an option:} \
570            {} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
571    switch $decision {
572        0 { savearchiveexp;  return "Continue" }
573        1 {                  return "Continue" }
574        2 {                  return "Cancel"   }
575    }
576}
577
578proc archiveexp {} {
579    global expgui tcl_platform
580    # is there a file to archive
581    if {![file exists $expgui(expfile)]} return
582    catch {
583        set expnam [file rootname $expgui(expfile)]
584        if {$tcl_platform(platform) == "windows"} {
585            set version -1
586            catch {source $expnam.version}
587            incr version
588            if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
589                # archive w/o pkzip
590                set file $expnam![format "%3.3d" $version].EXP
591                file copy -force $expnam.EXP $file
592                set fp [open $expnam.lst a]
593                puts $fp "\n--------------------------------------------------------------"
594                puts $fp "Archiving $expnam.EXP as $file"
595                puts $fp "--------------------------------------------------------------\n"
596                close $fp
597            } else {
598                # archive with PKZIP           
599                # need to limit expnam to 8 characters
600                set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
601                # PKZIP can't handle long dir names either
602                cd [set dir [file dirname $expnam]]
603                set file $sexp.[format "%3.3d" $version]
604                file copy -force $expnam.EXP $file
605                exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
606                set fp [open $expnam.lst a]
607                puts $fp "\n--------------------------------------------------------------"
608                puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
609                puts $fp "--------------------------------------------------------------\n"
610                close $fp
611            }
612            set fp [open $expnam.version w]
613            puts $fp "set version $version"
614            close $fp
615        } else {
616            set files [glob -nocomplain $expnam.EXP.*]
617            if {$files == ""} {
618                set file $expnam.EXP.000
619            } else {
620                set file [lindex [lsort -decreasing $files] 0]
621                regexp {.*\.EXP.0?0?([0-9]*).*} $file junk number
622                incr number
623                set file $expnam.EXP.[format "%3.3d" $number]
624            }
625            file copy $expgui(expfile) $file
626            if [catch {exec gzip $file}] {
627                exec echo "\n----------------------------------------------" >> $expnam.LST
628                exec echo "     Archiving $expnam.EXP as $file " >> $expnam.LST
629                exec echo "----------------------------------------------\n" >> $expnam.LST
630            } else {
631                exec echo "\n----------------------------------------------" >> $expnam.LST
632                exec echo "     Archiving $expnam.EXP as $file.gz " >> $expnam.LST
633                exec echo "----------------------------------------------\n" >> $expnam.LST
634            }
635        }
636    } errmsg
637    if {$errmsg != ""} {
638        tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
639    }
640}
641
642# save and optionally archive the expfile
643proc savearchiveexp {} {
644    global expgui expmap
645    if !$expgui(changed) return
646    if $expgui(archive) archiveexp
647    # add a history record
648    exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
649    # now save the file
650    expwrite $expgui(expfile)
651    set expgui(changed) 0
652    set expgui(expModifiedLast) [file mtime $expgui(expfile)]
653    set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
654    wm title . $expgui(expfile)
655    set expgui(titleunchanged) 1
656}
657
658# setup buttons for each phase on the phase page
659proc setphases {} {
660    global expgui expmap
661    eval destroy [winfo children $expgui(phaseFrame).top.ps]
662    pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
663    foreach num $expmap(phaselist) type $expmap(phasetype) {
664        pack [button $expgui(phaseFrame).top.ps.$num -text $num \
665                -command "SelectOnePhase $num" -padx 1.5m] -side left
666        if {$type > 3} {
667            $expgui(phaseFrame).top.ps.$num config -state disabled
668        }
669    }
670    if {[file executable $expgui(exptool)] && \
671            [llength $expmap(phaselist)]} {
672        pack [button $expgui(phaseFrame).top.ps.10 -text "Add Phase" \
673                -padx 1.5m -command MakeAddPhaseBox] -side left
674    }
675}
676
677# Procedure to respond to changes the phase.
678#  This loads the "phases" widgets with data corresponding to the selected phase.
679proc SelectOnePhase {num} {
680    global entryvar entrycmd entrybox expmap expgui
681    set crsPhase {}
682    $expgui(atomxform) config -text "Xform Atoms" -state disabled
683    foreach n $expmap(phaselist) type $expmap(phasetype) {
684        if {$n == $num && $type <= 3} {
685            catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
686            set crsPhase $num
687            if {$type == 3} {
688                set expgui(phasetype) "Magnetic\nOnly"
689            } elseif {$type == 2} {
690                set expgui(phasetype) "Magnetic\n& Nuclear"
691            } elseif {$type == 4} {
692                # this is not used at present
693                set expgui(phasetype) "Macromolecular"
694            } else {
695                set expgui(phasetype) ""
696            }
697        } else {
698            catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
699        }
700    }
701    # no phase is selected
702    if {$crsPhase == "" || [llength $expmap(phaselist)] == 0} {
703        # disable traces on entryvar
704        set entrycmd(trace) 0
705        set entrycmd(phasename) ""
706        set entryvar(phasename) ""
707        foreach ent {a b c alpha beta gamma cellref celldamp} {
708            set entrycmd($ent) ""
709            set entryvar($ent) ""
710        }
711        set expgui(curPhase) {}
712        # enable traces on entryvar
713        set entrycmd(trace) 1
714        $expgui(EditingAtoms) config -text ""
715        DisplayAtom 0 0
716        DisplayU 0 0
717        DisplayRefFlags 0 0
718        $expgui(atomlistbox) delete 0 end
719        return
720    }
721
722    set expgui(curPhase) $crsPhase
723    # we have a phase
724
725    # disable traces on entryvar for right now
726    set entrycmd(trace) 0
727
728    ##########################################################
729    ######   SECTION: ASSIGNMENT OF DATA VARIABLES  ##########
730    ##########################################################
731    # phase title
732    set entrycmd(phasename) "phaseinfo $crsPhase name"
733    set entryvar(phasename) [phaseinfo $crsPhase name]
734    # cell parameters & flags
735    foreach ent {a b c alpha beta gamma cellref celldamp} {
736        set entrycmd($ent) "phaseinfo $crsPhase $ent"
737        set entryvar($ent) [phaseinfo $crsPhase $ent]
738        # reset item to black
739        catch {$entrybox($ent) config -fg black}
740    }
741
742    #Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
743    # initialize to diasbled
744    DisplayAtom 0 0
745    DisplayU 0 0
746    DisplayRefFlags 0 0
747    $expgui(EditingAtoms) config -text ""
748
749    DisplayAllAtoms
750
751    # enable traces on entryvar now
752    set entrycmd(trace) 1
753}
754
755set expgui(noreenterDisplayAllAtoms) 0
756# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
757proc DisplayAllAtoms {"mode reset"} {
758    global entryvar entrycmd expmap expgui
759    # if it does not show, dont bother
760    if {$expgui(pagenow) != "phaseFrame"} return
761    if {$expgui(curPhase) == ""} return
762    if $expgui(noreenterDisplayAllAtoms) return
763   
764    set expgui(noreenterDisplayAllAtoms) 1
765    if {$mode != "reset"} {
766        # save the scrolled position
767        set pos [lindex [$expgui(atomlistbox) yview] 0]
768    } else {
769        # this is a reset -- clear the selected atoms list
770        set expgui(selectedatomlist) {}
771    }
772    $expgui(atomlistbox) delete 0 end
773    # loop over atoms
774    set maxline I
775    set phase $expgui(curPhase)
776    set atomlist {}
777    set typehead "type  "
778    set namehead "  name  "
779    set multhead "Mult"
780    set coordhead "   "
781    set frachead "Occupancy"
782    if  {$expgui(asorttype) == "type"} {
783        # sort on atom type
784        set typehead "type* "
785        foreach atom $expmap(atomlist_$phase) {
786            lappend atomlist "$atom [atominfo $phase $atom type] $phase"
787        }
788        set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
789    } elseif {$expgui(asorttype) == "number"} {
790        # sort on atom number
791        set namehead "* name  "
792        foreach atom $expmap(atomlist_$phase) {
793            lappend atomlist "$atom $atom $phase"
794        }
795        set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
796    } elseif {$expgui(asorttype) == "mult"} {
797        # sort on atom number
798        set multhead "Mlt*"
799        foreach atom $expmap(atomlist_$phase) {
800            lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
801        }
802        set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
803    } elseif {$expgui(asorttype) == "occupancy"} {
804        # sort on atom number
805        set frachead "  Occup* "
806        foreach atom $expmap(atomlist_$phase) {
807            lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
808        }
809        set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
810    } elseif {$expgui(asorttype) == "x"} {
811        # sort on x
812        set coordhead "(x*)"
813        foreach atom $expmap(atomlist_$phase) {
814            lappend atomlist "$atom [atominfo $phase $atom x] $phase"
815        }
816        set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
817    } elseif {$expgui(asorttype) == "y"} {
818        # sort on y
819        set coordhead "(y*)"
820        foreach atom $expmap(atomlist_$phase) {
821            lappend atomlist "$atom [atominfo $phase $atom y] $phase"
822        }
823        set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
824    } elseif {$expgui(asorttype) == "z"} {
825        # sort on z
826        set coordhead "(z*)"
827        foreach atom $expmap(atomlist_$phase) {
828            lappend atomlist "$atom [atominfo $phase $atom z] $phase"
829        }
830        set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
831    } else {
832        error "Bad expgui(asorttype) = $expgui(asorttype)"
833    }
834
835    foreach tuple $expmap(atomlistboxcontents) {
836        set atom [lindex $tuple 0]
837        set phase [lindex $tuple 2]
838        set refflag {}
839        foreach type {x u f} {
840            if {[atominfo $phase $atom ${type}ref]} {
841                append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
842            } else {
843                append refflag " [atominfo $phase $atom ${type}damp] "
844            }   
845        }
846        set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
847                $atom \
848                [atominfo $phase $atom label] \
849                [atominfo $phase $atom type] \
850                $refflag \
851                [atominfo $phase $atom x] \
852                [atominfo $phase $atom y] \
853                [atominfo $phase $atom z] \
854                [atominfo $phase $atom mult] \
855                [atominfo $phase $atom frac]
856        ]
857
858        # add temperature factors (iso/anoiso)
859        if {[atominfo $phase $atom temptype] == "A"} {
860            set maxline A
861            append line [format "  %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
862                    [atominfo $phase $atom U11] \
863                    [atominfo $phase $atom U22] \
864                    [atominfo $phase $atom U33] \
865                    [atominfo $phase $atom U12] \
866                    [atominfo $phase $atom U23] \
867                    [atominfo $phase $atom U13]
868            ]
869        } else {
870            append line [format "  %9.5f" \
871                    [atominfo $phase $atom Uiso]
872            ]
873        }
874        $expgui(atomlistbox) insert end $line
875    }
876    $expgui(atomtitle) delete 0 end
877    if {$maxline == "A"} {
878        $expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s  %s" \
879                $namehead $typehead "ref/damp  " \
880                "fractional coordinates$coordhead" \
881                "$multhead $frachead" \
882                " Uiso/Uij                                            "]
883    } else {
884        $expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s  %s" \
885                $namehead $typehead "ref/damp  " \
886                "fractional coordinates$coordhead" \
887                "$multhead $frachead" \
888                " Uiso"]
889    }
890    if {$mode != "reset"} {
891        # restore the selected items
892        foreach i $expgui(selectedatomlist) {
893            $expgui(atomlistbox) selection set $i
894        }
895        # restore the last scrolled position
896        $expgui(atomlistbox) yview moveto $pos
897    }
898    set expgui(noreenterDisplayAllAtoms) 0
899}
900
901# Procedure to select all atoms in response to a right-click
902proc SelectAllAtoms {} {
903    global expgui
904    $expgui(atomlistbox) selection set 0 end
905    # call editRecord in case trace was called before the selection was made
906    editRecord
907}
908
909# Procedure to respond to left mouse release in the atoms Pane
910proc editRecord { args } {
911    global entrycmd expgui
912    set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
913    # disable traces on entryvar for right now
914    set entrycmd(trace) 0
915
916    if {[llength $expgui(selectedatomlist)] == 0} {
917        if $expgui(debug) {error "Attempt display non-existent atoms"}
918    } elseif {[llength $expgui(selectedatomlist)] == 1} {
919        editOneRecord $expgui(selectedatomlist)
920    } else {
921        editMultipleRecords $expgui(selectedatomlist)
922    }
923    # reenable traces on entryvar
924    set entrycmd(trace) 1
925    # repaint the atoms box in case anything was changed
926    #    DisplayAllAtoms noreset
927}
928
929proc editOneRecord { AtomIndex } {
930    global expmap expgui
931    # get atom number & phase
932    set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
933    set atomnum [lindex $tuple 0]
934    set p [lindex $tuple 2]
935    DisplayU $atomnum $p
936    DisplayAtom $atomnum $p
937    DisplayRefFlags $atomnum $p
938    $expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
939    $expgui(atomxform) config -text "Xform Atom" -state normal
940}
941
942# this will not work for a multi-phase list of atoms (yet)
943proc editMultipleRecords { AtomIndexList } {
944    global expmap expgui
945    set numberList {}
946    # current phase
947    set p $expgui(curPhase)
948    foreach AtomIndex $AtomIndexList {
949        # get atom number & phase
950        set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
951        lappend numberList [lindex $tuple 0]
952#       set p [lindex $tuple 2]
953    }
954    # this needs to track by phase
955    $expgui(EditingAtoms) config -text \
956            "Set refinement options: atoms [CompressList $numberList]"
957    DisplayU 0 0
958    DisplayAtom 0 0
959    # this needs to track by phase
960    DisplayRefFlags $numberList $p
961    $expgui(atomxform) config -text "Xform Atoms" -state normal
962}
963
964# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
965# becomes "1-4,6,7,13-15,19"
966proc CompressList {numberList} {
967    # format the number list to save space
968    set lastnum -99
969    set flist {}
970    set count 0
971    if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
972    foreach num $sortlist {
973            set next [expr $lastnum+1]
974            if {$num != $next} {
975                if {$count == 0 && $flist != ""} {
976                    append flist ",$num"
977                } elseif {$count == 1 && $flist != ""} {
978                    append flist ",$lastnum,$num"
979                } elseif {$flist != ""} {
980                    append flist "-$lastnum,$num"
981            } else {
982                append flist "$num"
983            }
984            set lastnum $num
985            set count 0
986        } else {
987            incr count
988            incr lastnum
989        }
990    }
991    if {$count == 1 && $flist != ""} {
992        append flist ",$lastnum"
993    } elseif {$flist != "" && $count > 1} {
994        append flist "-$lastnum"
995    }
996    return $flist
997}
998
999# Procedure to display Isotropic or Anisotropic temperature factors
1000#  Changes the display to one entry widget for Isotropic motion OR
1001#   6 entry widgets for Anisotropic motion in Frame3.
1002#   or disables the widet entirly if atom = 0
1003proc DisplayU { atomnum p} {
1004    global expgui entryvar entrycmd
1005    if {$atomnum == 0} {
1006        set iOrA disable
1007    } else {
1008        set iOrA [atominfo $p $atomnum temptype]
1009    }
1010
1011    set firstbox [lindex $expgui(anisolabels) 0]
1012    if { $iOrA == "A" } {
1013        $firstbox config -text "U11 "
1014        foreach item $expgui(anisolabels) {
1015            $item config -fg black
1016        }
1017        foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1018            set entrycmd($var) "atominfo $p $atomnum $var"
1019            set entryvar($var) [eval $entrycmd($var)]
1020            $item config -fg black -state normal  -bg white
1021        }
1022    } elseif { $iOrA == "I" || $iOrA == "disable"} {
1023        foreach item $expgui(anisolabels) {
1024            $item config -fg $expgui(bkgcolor1)
1025        }
1026        foreach item [lrange $expgui(anisoentry) 1 end] \
1027                var {U22 U33 U12 U13 U23} {
1028            set entrycmd($var) ""
1029            set entryvar($var) ""
1030            $item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1031                    -state disabled
1032        }
1033        if { $iOrA == "disable"} {
1034            set entrycmd($var) ""
1035            set entryvar($var) ""
1036            [lindex $expgui(anisoentry) 0] config \
1037                    -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1038                    -state disabled
1039        } else {
1040            set entrycmd(U11) "atominfo $p $atomnum Uiso"
1041            set entryvar(U11) [eval $entrycmd(U11)]
1042            $firstbox config -text Uiso -fg black
1043            [lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1044        }
1045    }
1046}
1047
1048# need to think about multiple phases
1049
1050# Procedure to display refinement flags
1051proc DisplayRefFlags { atomnum p} {
1052    global expgui entryvar entrycmd
1053    if {$atomnum == 0} {
1054        foreach label $expgui(atomreflbl) {
1055            $label config -fg $expgui(bkgcolor1)
1056        }
1057        foreach entry $expgui(atomref) {
1058            $entry config -state disabled \
1059                    -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1060            # turn off checkbuttons
1061            catch {$entry deselect}
1062
1063        }
1064        return
1065    }
1066    foreach label $expgui(atomreflbl) {
1067        $label config -fg black
1068    }
1069    foreach entry $expgui(atomref) {
1070        $entry config -state normal -fg black -bg $expgui(bkgcolor1)
1071    }
1072    foreach var {xref uref fref xdamp udamp fdamp}  {
1073        set entrycmd($var) "atominfo $p [list $atomnum] $var"
1074        set entryvar($var) [eval $entrycmd($var)]
1075    }
1076}
1077
1078# Procedure to display an atom in the atom edit boxes
1079proc DisplayAtom { atomnum p} {
1080    global expgui entryvar entrycmd
1081    if {$atomnum == 0} {
1082        foreach label $expgui(atomlabels) {
1083            $label config -fg $expgui(bkgcolor1)
1084        }
1085        foreach entry $expgui(atomentry) {
1086            $entry config -state disabled \
1087                    -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1088        }
1089        return
1090    }
1091    foreach label $expgui(atomlabels) {
1092        $label config -fg black
1093    }
1094    foreach entry $expgui(atomentry) {
1095        $entry config -state normal -fg black -bg white
1096    }
1097    foreach var {x y z label frac } {
1098        set entrycmd($var) "atominfo $p $atomnum $var"
1099        set entryvar($var) [eval $entrycmd($var)]
1100    }
1101}
1102
1103# make a histogram box; used in MakeHistPane,
1104proc MakeHistBox {frm} {
1105    global expgui
1106    grid [label $frm.mode -text "Select a Histogram" \
1107            -bg beige -anchor center] \
1108            -row 0 -column 0 -columnspan 2 -sticky ew
1109    bind $frm.mode <Button-1> {
1110        set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1111        set expgui(globalmode) [lindex \
1112                "$expgui(AllowedHistSelectModes) \
1113                $expgui(AllowedHistSelectModes)" [incr i]]
1114        sethistlist
1115    }
1116    bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1117    grid [listbox $frm.title -height 1 -relief flat \
1118            -exportselection 0 \
1119            -font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1120    grid [listbox $frm.lbox -height 10 -width 25 \
1121            -exportselection 0 \
1122            -font $expgui(histfont) \
1123            -xscrollcommand "$frm.x set" \
1124            -yscrollcommand "$frm.y set" \
1125            ] -row 2 -column 0 -sticky news
1126    lappend expgui(HistSelectList) $frm
1127    grid [scrollbar $frm.x -orient horizontal \
1128            -command "move2boxes \" $frm.title $frm.lbox \" "
1129    ] -row 3 -column 0 -sticky ew
1130    grid [scrollbar $frm.y \
1131            -command "$frm.lbox yview"] \
1132            -row 2 -column 1 -sticky ns
1133    grid columnconfigure $frm 0 -weight 1
1134    grid rowconfigure $frm 2 -weight 1
1135}
1136
1137# update the histogram list
1138# to do: show histogram ref flags?
1139proc sethistlist {} {
1140    global expgui expmap
1141    array set lbl {
1142        1 "Select 1 or more\nTOF Histograms"
1143        2 "Select 1 or more\nCW Neutron Histograms"
1144        3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1145        4 "Select 1 or more\nmonochromatic X-ray Histograms"
1146        5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1147        6 "Select 1 or more of\n any type Histograms"
1148    }
1149    foreach lbox $expgui(HistSelectList) {
1150        $lbox.title delete 0 end
1151        $lbox.lbox delete 0 end
1152        if {$expgui(globalmode) != 0} {
1153            $lbox.lbox config -selectmode extended
1154            $lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1155        } else {
1156            $lbox.lbox config -selectmode browse
1157            $lbox.mode config -text "Select a histogram" -bg beige
1158        }
1159    }
1160    # disable the unallowed pages in all mode
1161    if {$expgui(globalmode) == 6} {
1162        foreach pair $expgui(GlobalModeAllDisable) {
1163            if {$expgui(pagenow) == [lindex $pair 0]} {
1164                RaisePage lsFrame
1165            }
1166            eval [lindex $pair 1] -state disabled
1167        }
1168    } else {
1169        foreach pair $expgui(GlobalModeAllDisable) {
1170            eval [lindex $pair 1] -state normal
1171        }
1172    }
1173    set histlist {}
1174    if  {$expgui(hsorttype) == "type"} {
1175        # sort on histogram type
1176        foreach h [lsort -integer -increasing $expmap(powderlist)] {
1177            lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1178        }
1179        set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1180    } elseif {$expgui(hsorttype) == "number"} {
1181        # sort on histogram number
1182        foreach h [lsort -integer -increasing $expmap(powderlist)] {
1183            lappend histlist "$h $h"
1184        }
1185        set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1186    } elseif {$expgui(hsorttype) == "bank"} {
1187        # sort on original bank number
1188        foreach h [lsort -integer -increasing $expmap(powderlist)] {
1189            lappend histlist "$h [histinfo $h bank]"
1190        }
1191        set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1192    } elseif {$expgui(hsorttype) == "angle"} {
1193        # sort on wavelength (CW) or angle (E disp.)
1194        foreach h [lsort -integer -increasing $expmap(powderlist)] {
1195            if {[string range $expmap(htype_$h) 2 2] == "T"} {
1196                set det [format %8.2f [histinfo $h tofangle]]
1197            } elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1198                set det [format %8.5f [histinfo $h lam1]]
1199            } elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1200                set det [format %8.2f [histinfo $h lam1]]
1201            } else {
1202                set det {}
1203            }
1204            lappend histlist "$h $det"
1205        }
1206        set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1207    }
1208
1209    # title field needs to match longest title
1210    foreach lbox $expgui(HistSelectList) {
1211        $lbox.title insert end [format "%2s %s %4s %8s  %-67s" \
1212                "h#" \
1213                type \
1214                bank \
1215                "ang/wave" \
1216                "    title" \
1217                ]
1218    }
1219    foreach tuple $expmap(histlistboxcontents) {
1220        set h [lindex $tuple 0]
1221
1222        if {$expgui(globalmode) == 1} {
1223            if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1224        } elseif {$expgui(globalmode) == 2} {
1225            if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1226        } elseif {$expgui(globalmode) == 3} {
1227            if {[string range $expmap(htype_$h) 1 2] != "XC" || \
1228                    [histinfo $h lam2] == 0.0} continue
1229        } elseif {$expgui(globalmode) == 4} {
1230            if {[string range $expmap(htype_$h) 1 2] != "XC" || \
1231                    [histinfo $h lam2] != 0.0} continue
1232        } elseif {$expgui(globalmode) == 5} {
1233            if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1234        }
1235
1236        if {[string range $expmap(htype_$h) 2 2] == "T"} {
1237            set det [format %8.2f [histinfo $h tofangle]]
1238        } elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1239            set det [format %8.5f [histinfo $h lam1]]
1240        } elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1241            set det [format %8.2f [histinfo $h lam1]]
1242        } else {
1243            set det {}
1244        }
1245        foreach lbox $expgui(HistSelectList) {
1246            $lbox.lbox insert end [format "%2d  %s  %4d %8s  %-67s" \
1247                    $h \
1248                    [string range $expmap(htype_$h) 1 2] \
1249                    [histinfo $h bank] \
1250                    $det \
1251                    [string range [histinfo $h title] 0 66] \
1252                    ]
1253        }
1254    }
1255    UpdateCurrentPage
1256}
1257
1258proc UpdateCurrentPage {} {
1259    global expgui
1260    foreach set $expgui(frameactionlist) {
1261        if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1262    }
1263}
1264
1265#-----------------------------------------------------------------------
1266# ----------- draw Histogram page
1267#-----------------------------------------------------------------------
1268proc DisplayHistogram {} {
1269    global expgui entrycmd entryvar entrybox expmap
1270
1271    # trap if more than one histogram is selected unless global mode
1272    if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1273        set expgui(curhist) [lindex $expgui(curhist) 0]
1274    }
1275
1276    # display the selected histograms
1277    $expgui(histFrame).hs.lbox selection clear 0 end
1278    foreach h $expgui(curhist) {
1279        $expgui(histFrame).hs.lbox selection set $h
1280    }
1281
1282    # disable traces on entryvar for right now
1283    set entrycmd(trace) 0
1284
1285    # get histogram list
1286    set histlist {}
1287    foreach item $expgui(curhist) {
1288        lappend histlist [lindex $expmap(powderlist) $item]
1289    }
1290    # must have at least one histogram selected here
1291    if {[llength $histlist] == 0} {
1292        set expgui(backtermlbl) ""
1293        set expgui(backtypelbl) ""
1294        foreach var {bref bdamp} {
1295            set entrycmd($var) ""
1296            set entryvar($var) ""
1297        }
1298        $expgui(histFrame).top.txt config -text "No Selected Histograms"
1299        grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew       
1300        set expgui(bkglbl) ""
1301        eval destroy [winfo children $expgui(diffBox)]
1302        set entrycmd(trace) 1
1303        return
1304    }
1305
1306    if {$expgui(globalmode) != 0} {
1307        set expgui(backtermlbl) ""
1308        set expgui(backtypelbl) ""
1309        foreach var {bref bdamp} {
1310            set entrycmd($var) "histinfo [list $histlist] $var"
1311            set entryvar($var) [histinfo [lindex $histlist 0] $var]
1312        }
1313    } else {
1314        set hist $histlist
1315        set terms [histinfo $hist backterms]
1316        set expgui(backtermlbl) "($terms terms)"
1317        set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1318        foreach var {bref bdamp} {
1319            set entrycmd($var) "histinfo $hist $var"
1320            set entryvar($var) [eval $entrycmd($var)]
1321        }
1322    }
1323    # Top box
1324    if $expgui(haveBW) {
1325        catch {destroy $expgui(histFrame).pflag}
1326    }
1327    if {$expgui(globalmode) != 0} {
1328        $expgui(histFrame).top.txt config \
1329                -text "Selected Histograms: [CompressList $histlist]"
1330        grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew       
1331        set expgui(bkglbl) "Globally Edit Background"
1332    } else {
1333        grid forget $expgui(histFrame).top
1334        set expgui(bkglbl) "Edit Background"
1335        if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1336            TitleFrame $expgui(histFrame).pflag  \
1337                    -borderwidth 4 -side left -relief groove \
1338                    -text "Phase Flags"
1339            set expgui(pflag) [$expgui(histFrame).pflag getframe]
1340            grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1341            grid rowconfigure $expgui(histFrame) 2 -minsize 35
1342            foreach p $expmap(phaselist) {
1343                pack [checkbutton $expgui(pflag).$p \
1344                        -command "GetPhaseFlags $hist" \
1345                        -variable expgui(pflag$p) -text $p] -side left
1346                if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1347                    set expgui(pflag$p) 0
1348                } else {
1349                    set expgui(pflag$p) 1
1350                }
1351            }
1352        }
1353    }
1354
1355    # diffractometer constants
1356    foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1357            wref pref dcref daref ratref ttref zref } {
1358        set entrycmd($var) "histinfo [list $histlist] $var"
1359        set entryvar($var) [histinfo [lindex $histlist 0] $var]
1360    }
1361
1362    eval destroy [winfo children $expgui(diffBox)]
1363    if {$expgui(globalmode) == 0} {
1364        if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1365        #------
1366        # TOF |
1367        #------
1368            grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1369                    -column 1 -row 1
1370            grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1371                    -column 2 -row 1
1372            grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1373                    -column 3 -row 1 -sticky w
1374            grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1375                    -width 15 ] -column 4 -row 1
1376            set entrybox(lam1) $expgui(diffBox).eDCdifc
1377            #
1378            grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1379                    -column 1 -row 2
1380            grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1381                    -column 2 -row 2
1382            grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1383                    -column 3 -row 2
1384            grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1385                    -width 15 ] -column 4 -row 2
1386            set entrybox(lam2) $expgui(diffBox).eDCdifa
1387            #
1388            grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1389                    -column 3 -row 3
1390            grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1391                    -width 15 ] -column 4 -row 3
1392            set entrybox(zero) $expgui(diffBox).eDCzero
1393            grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1394                    -column 1 -row 3 -sticky w
1395            grid [ checkbutton $expgui(diffBox).rfDCzref \
1396                    -variable entryvar(zref) ] -column 2 -row 3
1397        } elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1398        #---------------
1399        # CW - neutron |
1400        #---------------
1401            grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1402                    -column 1 -row 1
1403            grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1404                    -column 2 -row 1
1405            grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1406                    -column 3 -row 1 -sticky w
1407            grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1408                    -width 15 ] -column 4 -row 1
1409            set entrybox(lam1) $expgui(diffBox).eDCdifc
1410            #
1411            grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1412                    -column 1 -row 3 -sticky w
1413            grid [ checkbutton $expgui(diffBox).rfDCzref \
1414                    -variable entryvar(zref) ] -column 2 -row 3
1415            grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1416                    -column 3 -row 3
1417            grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1418                    -width 15 ] -column 4 -row 3
1419            set entrybox(zero) $expgui(diffBox).eDCzero
1420        } elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1421                [histinfo $hist lam2] == 0.0} {
1422        #--------------------------
1423        # CW - x-ray 1 wavelength |
1424        #--------------------------
1425            grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1426                    -column 1 -row 1
1427            grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1428                    -column 2 -row 1
1429            grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1430                    -column 3 -row 1 -sticky w
1431            grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1432                    -width 15 ] -column 4 -row 1
1433            set entrybox(lam1) $expgui(diffBox).eDCdifc
1434            #
1435            grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1436                    -column 1 -row 3 -sticky w
1437            grid [ checkbutton $expgui(diffBox).rfDCzref \
1438                    -variable entryvar(zref) ] -column 2 -row 3
1439            grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1440                    -column 3 -row 3
1441            grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1442                    -width 15 ] -column 4 -row 3
1443            set entrybox(zero) $expgui(diffBox).eDCzero
1444            #
1445            grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1446                    -column 1 -row 4 -sticky w
1447            grid [ checkbutton $expgui(diffBox).rfDCpref \
1448                    -variable entryvar(pref) ] -column 2 -row 4
1449            grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1450                    -column 3 -row 4
1451            grid [ entry $expgui(diffBox).eDCpola \
1452                    -textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1453            set entrybox(pola) $expgui(diffBox).eDCpola
1454            grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1455                    -column 5 -row 4
1456            grid [ entry $expgui(diffBox).eDCipola -width 2 \
1457                    -textvariable entryvar(ipola)] -column 6 -row 4
1458            set entrybox(ipola) $expgui(diffBox).eDCipola
1459        } elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1460        #---------------------------
1461        # CW - x-ray 2 wavelengths |
1462        #---------------------------
1463            grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1464                    -column 3 -row 1 -sticky w
1465            grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1466                    -width 15 ] -column 4 -row 1
1467            set entrybox(lam1) $expgui(diffBox).eDCdifc
1468            grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1469                    -width 15 ] -column 5 -row 1
1470            set entrybox(lam2) $expgui(diffBox).eDCdifa
1471            #
1472            grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1473                    -column 1 -row 2 -sticky w
1474            grid [ checkbutton $expgui(diffBox).rfDCrref \
1475                    -variable entryvar(ratref) ] -column 2 -row 2
1476            grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1477                    -column 3 -row 2
1478            grid [ entry $expgui(diffBox).eDCkratio \
1479                    -textvariable entryvar(kratio) \
1480                    -width 15 ] -column 4 -row 2
1481            set entrybox(kratio) $expgui(diffBox).eDCkratio
1482            #
1483            grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1484                    -column 3 -row 3
1485            grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1486                    -width 15 ] -column 4 -row 3
1487            grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1488                    -column 1 -row 3 -sticky w
1489            set entrybox(zero) $expgui(diffBox).eDCzero
1490            grid [ checkbutton $expgui(diffBox).rfDCzref \
1491                    -variable entryvar(zref) ] -column 2 -row 3
1492            grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1493                    -column 1 -row 4 -sticky w
1494            grid [ checkbutton $expgui(diffBox).rfDCpref \
1495                    -variable entryvar(pref) ] -column 2 -row 4
1496            grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1497                    -column 3 -row 4
1498            grid [ entry $expgui(diffBox).eDCpola \
1499                    -textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1500            set entrybox(pola) $expgui(diffBox).eDCpola
1501            grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1502                    -column 5 -row 4
1503            grid [ entry $expgui(diffBox).eDCipola -width 2 \
1504                    -textvariable entryvar(ipola)] -column 6 -row 4
1505            set entrybox(ipola) $expgui(diffBox).eDCipola
1506        } elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1507        #-------------
1508        # ED - x-ray |
1509        #-------------
1510            grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1511                    -column 1 -row 1
1512            grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1513                    -column 2 -row 1
1514            grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1515                    -column 3 -row 1 -sticky w
1516            grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1517                    -width 15 ] -column 4 -row 1
1518            set entrybox(lam1) $expgui(diffBox).eDCdifc
1519            #
1520            grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1521                    -column 1 -row 4 -sticky w
1522            grid [ checkbutton $expgui(diffBox).rfDCpref \
1523                    -variable entryvar(pref) ] -column 2 -row 4
1524            grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1525                    -column 3 -row 4
1526            grid [ entry $expgui(diffBox).eDCpola \
1527                    -textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1528            set entrybox(pola) $expgui(diffBox).eDCpola
1529            grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1530                    -column 5 -row 4
1531            grid [ entry $expgui(diffBox).eDCipola -width 2 \
1532                    -textvariable entryvar(ipola)] -column 6 -row 4
1533            set entrybox(ipola) $expgui(diffBox).eDCipola
1534        }
1535    } elseif {$expgui(globalmode) == 1} {
1536        #-------------
1537        # Global TOF |
1538        #-------------
1539        grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1540                -column 1 -row 1
1541        grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1542                -column 2 -row 1
1543        grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1544                -command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1545        #
1546        grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1547                -column 1 -row 2
1548        grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1549                -column 2 -row 2
1550        grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1551                -command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1552        #
1553        grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1554                -column 1 -row 3 -sticky w
1555        grid [ checkbutton $expgui(diffBox).rfDCzref \
1556                -variable entryvar(zref) ] -column 2 -row 3
1557        grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1558                -command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1559    } elseif {$expgui(globalmode) == 2} {
1560        #--------------------
1561        # Global CW neutron |
1562        #--------------------
1563        grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1564                -column 1 -row 1
1565        grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1566                -column 2 -row 1
1567        grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1568                -command "editglobalparm histinfo lam1 Wavelength"] \
1569                -column 3 -row 1
1570        #
1571        grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1572                -column 1 -row 3 -sticky w
1573        grid [ checkbutton $expgui(diffBox).rfDCzref \
1574                -variable entryvar(zref) ] -column 2 -row 3
1575        grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1576                -command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1577    } elseif {$expgui(globalmode) == 4} {
1578        #----------------------
1579        # Global CW mono xray |
1580        #----------------------
1581        grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1582                -column 1 -row 1
1583        grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1584                -column 2 -row 1
1585        grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1586                -command "editglobalparm histinfo lam1 Wavelength"] \
1587                -column 3 -row 1
1588        #
1589        grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1590                -column 1 -row 3 -sticky w
1591        grid [ checkbutton $expgui(diffBox).rfDCzref \
1592                -variable entryvar(zref) ] -column 2 -row 3
1593        grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1594                -command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1595        #
1596        grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1597                -column 1 -row 4 -sticky w
1598        grid [ checkbutton $expgui(diffBox).rfDCpref \
1599                -variable entryvar(pref) ] -column 2 -row 4
1600        grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1601                -command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1602        grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1603                -command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1604    } elseif {$expgui(globalmode) == 3} {
1605        #------------------------
1606        # Global alpha 1,2 xray |
1607        #------------------------
1608        grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1609                -command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1610                -column 3 -row 1
1611        grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1612                -command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1613                -column 4 -row 1
1614        #
1615        grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1616                -column 1 -row 3 -sticky w
1617        grid [ checkbutton $expgui(diffBox).rfDCratref \
1618                -variable entryvar(ratref) ] -column 2 -row 3
1619        grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1620                -command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1621                -column 3 -row 3
1622        #
1623        grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1624                -column 1 -row 3 -sticky w
1625        grid [ checkbutton $expgui(diffBox).rfDCzref \
1626                -variable entryvar(zref) ] -column 2 -row 3
1627        grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1628                -command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1629        #
1630        grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1631                -column 1 -row 4 -sticky w
1632        grid [ checkbutton $expgui(diffBox).rfDCpref \
1633                -variable entryvar(pref) ] -column 2 -row 4
1634        grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1635                -command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1636        grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1637                -command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1638    } elseif {$expgui(globalmode) == 5} {
1639        #-----------------
1640        # Global ED xray |
1641        #-----------------
1642        grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1643                -column 1 -row 1
1644        grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1645                -column 2 -row 1
1646        grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1647                -command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1648                -column 3 -row 1
1649        #
1650        grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1651                -column 1 -row 4 -sticky w
1652        grid [ checkbutton $expgui(diffBox).rfDCpref \
1653                -variable entryvar(pref) ] -column 2 -row 4
1654        grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1655                -command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1656        grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1657                -command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1658    }
1659    if {$expgui(globalmode) == 0} {
1660        grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1661                -columnspan 2 -sticky e
1662    } else {
1663        grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1664                -columnspan 2 -sticky e
1665    }
1666    grid [label $expgui(diffBox).d.lDamp -text "Damping  "] \
1667            -column 1 -row 1
1668    tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1669    grid $expgui(diffBox).d.om -column 2 -row 1
1670    grid columnconfigure $expgui(diffBox) 9  -weight 1
1671    grid columnconfigure $expgui(diffBox) 0  -weight 1
1672    update idletasks
1673    # enable traces on entryvar now
1674    set entrycmd(trace) 1
1675}
1676
1677# this gets the phase flags as set in the expgui(pflag*) elements
1678# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1679# accordingly using SetPhaseFlag
1680proc GetPhaseFlags {hist} {
1681    global expmap expgui
1682    set plist {}
1683    foreach p $expmap(phaselist) {
1684        if {$expgui(pflag$p)} {lappend plist $p}
1685    }
1686    SetPhaseFlag $hist $plist
1687    incr expgui(changed)
1688    mapexp
1689}
1690
1691#-----------------------------------------------------------------------
1692# populate the Scaling page
1693#-----------------------------------------------------------------------
1694proc DisplayFrac {} {
1695    global expgui entrycmd entryvar entrybox expmap
1696
1697    # trap if more than one histogram is selected unless global mode
1698    if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1699        set expgui(curhist) [lindex $expgui(curhist) 0]
1700    }
1701
1702    # display the selected histograms
1703    $expgui(fracFrame).hs.lbox selection clear 0 end
1704    foreach h $expgui(curhist) {
1705        $expgui(fracFrame).hs.lbox selection set $h
1706    }
1707
1708    # disable traces on entryvar
1709    set entrycmd(trace) 0
1710
1711    # get histogram list
1712    set histlist {}
1713    foreach item $expgui(curhist) {
1714        lappend histlist [lindex $expmap(powderlist) $item]
1715    }
1716
1717    # must have at least one histogram selected here
1718    if {[llength $histlist] == 0} {
1719        foreach var {scale sref sdamp} {
1720            set entrycmd($var) ""
1721            set entryvar($var) ""
1722        }
1723        set parm [grid info $expgui(scaleBox).but1]
1724        if {$parm != ""} {
1725            grid forget  $expgui(scaleBox).but1
1726            eval grid $expgui(scaleBox).ent1 $parm
1727        }
1728        # destroy the contents of the frame
1729        set phaseFractf1 $expgui(FracBox).f
1730        eval destroy [winfo children $phaseFractf1]
1731        # reenable traces on entryvar
1732        set entrycmd(trace) 1
1733        return
1734    }
1735
1736    #--------------
1737    # Scale factor
1738    #--------------
1739    if {$expgui(globalmode) != 0} {
1740        foreach var {scale sref sdamp} {
1741            set entrycmd($var) "histinfo [list $histlist] $var"
1742            set entryvar($var) [histinfo [lindex $histlist 0] $var]
1743        }
1744        # reset scale to black
1745        catch {$entrybox(scale) config -fg black}
1746        set parm [grid info $expgui(scaleBox).ent1]
1747        if {$parm != ""} {
1748            grid forget  $expgui(scaleBox).ent1
1749            eval grid $expgui(scaleBox).but1 $parm
1750        }
1751    } else {
1752        set hist $histlist
1753        foreach var {scale sref sdamp} {
1754            set entrycmd($var) "histinfo $hist $var"
1755            set entryvar($var) [eval $entrycmd($var)]
1756        }
1757        # reset scale to black
1758        catch {$entrybox(scale) config -fg black}
1759        set parm [grid info $expgui(scaleBox).but1]
1760        if {$parm != ""} {
1761            grid forget  $expgui(scaleBox).but1
1762            eval grid $expgui(scaleBox).ent1 $parm
1763        }
1764    }
1765
1766    #----------------
1767    # Phase Fractions
1768    #----------------
1769    set phaseFractf1 $expgui(FracBox).f
1770    # destroy the contents of the frame
1771    eval destroy [winfo children $phaseFractf1]
1772    if {$expgui(globalmode) != 0} {
1773        set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1774    } else {
1775        set txt "Phase Fractions"
1776    }
1777    if $expgui(haveBW) {
1778        $expgui(fracFrame).f1.phaseFrac configure -text $txt
1779    } else {
1780        grid [label $phaseFractf1.txt -anchor center -text $txt] \
1781                -column 0 -row 0 -sticky news
1782    }
1783    # Create the frame inside the canvas, One frame for each Phase.
1784    foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1785    foreach hist $histlist {
1786        foreach i $expmap(phaselist_$hist) {
1787            lappend phasehistlist($i) $hist
1788        }
1789    }
1790    foreach i {1 2 3 4 5 6 7 8 9} {
1791        if {[llength $phasehistlist($i)] == 0} continue
1792        set framePF [frame $phaseFractf1.pF$i -relief groove  -bd 4]
1793        grid $framePF -column 0 -row $i -sticky ew
1794        # Label Heading for each phase.
1795        if {$expgui(globalmode) != 0} {
1796            grid [label $framePF.l1 \
1797                    -text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1798                    -column 0 -row 0 -sticky nws
1799            grid [button $framePF.but1 -text "Set Globally" \
1800                    -command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1801                    [list $phasehistlist($i)] $i" \
1802                    ] -column 1 -row 0
1803        } else {
1804            grid [label $framePF.l1  -text "Phase $i"] \
1805                    -column 0 -row 0 -sticky nws
1806            grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1807                    -column 1 -row 0
1808            set entrybox(frac$i) $framePF.ent
1809        }
1810        set entrycmd(frac$i) "hapinfo $hist $i frac"
1811        set entryvar(frac$i) [hapinfo $hist $i frac]
1812        grid [label $framePF.l2  -text "  Refine"] \
1813                -column 2 -row 0 -sticky nws
1814        grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1815                -column 3 -row 0 -sticky nws
1816        set entrycmd(frref$i) "hapinfo $hist $i frref"
1817        set entryvar(frref$i) [hapinfo $hist $i frref]
1818        grid [label $framePF.l3  -text "  Damping"] \
1819                -column 4 -row 0 -sticky nws
1820        tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1821                0 1 2 3 4 5 6 7 8 9     
1822        set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1823        set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1824        grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1825    }
1826    # resize the scroll window to match the actual
1827    update idletasks
1828    $expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1829    $expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1830    update idletasks
1831    # enable traces on entryvar now
1832    set entrycmd(trace) 1
1833}
1834
1835#-----------------------------------------------------------------------
1836# display the profile page
1837#-----------------------------------------------------------------------
1838proc DisplayProfile {} {
1839    global expgui entrycmd entryvar entrybox expmap
1840
1841    # trap if more than one histogram is selected unless global mode
1842    if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1843        set expgui(curhist) [lindex $expgui(curhist) 0]
1844    }
1845    # display the selected histograms
1846    $expgui(profFrame).hs.lbox selection clear 0 end
1847    foreach h $expgui(curhist) {
1848        $expgui(profFrame).hs.lbox selection set $h
1849    }
1850
1851    # destroy the contents of the frame
1852    eval destroy [winfo children $expgui(ProfileBox).f]
1853
1854    if {$expgui(globalmode) == 0} {
1855        # must have at least one histogram selected here
1856        if {[llength $expgui(curhist)] == 0} return
1857        # disable traces on entryvar for right now
1858        set entrycmd(trace) 0
1859        set hist [lindex $expmap(powderlist) $expgui(curhist)]
1860        # no defined histograms?
1861        if {$hist == ""} return
1862        # Create one frame for each Phase.
1863        set ind -1
1864        set htype [string range $expmap(htype_$hist) 2 2]
1865        foreach i $expmap(phaselist_$hist) {
1866            incr ind
1867            # Label Heading for each phase.
1868            set ptype [string trim [hapinfo $hist $i proftype]]
1869            if {$expgui(haveBW)} {
1870                grid [TitleFrame $expgui(ProfileBox).f.$i \
1871                        -text "Hist $hist -- Phase $i (type $ptype)" \
1872                        -relief groove -bd 2] \
1873                        -column 0 -row $ind -sticky ew
1874                set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1875                grid [frame $ProfileFrame.1] \
1876                        -column 0 -row 0 -columnspan 10
1877                pack [label $ProfileFrame.1.l  \
1878                        -text Damping]\
1879                        -side left
1880            } else {
1881                grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1882                        -column 0 -row $ind -sticky ew
1883                set ProfileFrame $expgui(ProfileBox).f.$i
1884                grid [frame $ProfileFrame.1] \
1885                        -column 0 -row 0 -columnspan 10 -sticky ew
1886                pack [label $ProfileFrame.1.l  \
1887                        -text "Phase $i (type $ptype)    Damping"]\
1888                        -side left
1889            }
1890            tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1891                    0 1 2 3 4 5 6 7 8 9
1892            set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1893            set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1894            pack $ProfileFrame.1.tkOptDamp -side left
1895            pack [label $ProfileFrame.1.l1 \
1896                    -text "  Peak cutoff"]\
1897                    -side left
1898            pack [entry $ProfileFrame.1.e1  \
1899                    -width 10 -textvariable entryvar(pcut_$i)]\
1900                    -side left
1901            set entrybox(pcut_$i) $ProfileFrame.1.e1
1902            set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1903            set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1904
1905            pack [button $ProfileFrame.1.b1  \
1906                    -text "Change Type" \
1907                    -command "ChangeProfileType $hist $i"]\
1908                    -side left
1909           
1910            set col -1
1911            set row 1
1912            set nterms [hapinfo $hist $i profterms]
1913            set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1914            for { set num 1 } { $num <= $nterms } { incr num } {
1915                set term {}
1916                catch {set term [lindex $lbls $num]}
1917                if {$term == ""} {set term $num}
1918                incr col
1919                grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1920                        -row $row -column $col
1921                incr col
1922                grid [checkbutton $ProfileFrame.ref${num}_${i} \
1923                        -variable entryvar(pref${num}_$i)] -row $row -column $col
1924                set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1925                set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1926                incr col
1927                grid [entry $ProfileFrame.ent${num}_${i} \
1928                        -textvariable entryvar(pterm${num}_$i)\
1929                        -width 12] -row $row -column $col
1930                set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
1931                set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1932                set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1933                if {$col > 6} {set col -1; incr row}
1934            }
1935        }
1936        grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1937    } else {
1938        # get histogram list
1939        set histlist {}
1940        foreach item $expgui(curhist) {
1941            lappend histlist [lindex $expmap(powderlist) $item]
1942        }
1943        # must have at least one histogram selected here
1944        if {[llength $histlist] == 0} return
1945        # disable traces on entryvar for right now
1946        set entrycmd(trace) 0
1947        # loop through histograms & phases, set up an array by phase & profile type
1948        catch {unset prtyparray histarray phasearray}
1949        foreach hist $histlist {
1950            foreach phase $expmap(phaselist_$hist) {
1951                set prtyp [string trim [hapinfo $hist $phase proftype]]
1952                set key ${prtyp}_$phase
1953                lappend prtyparray($key) $hist
1954                lappend histarray($key) $hist
1955                lappend phasearray($key) $phase
1956            }
1957        }
1958       
1959        set ptype ""
1960        set i -1
1961        # loop over all combined phases and profile types, sorted 1st by profile number
1962        foreach key [lsort [array names prtyparray]] {
1963            # split key
1964            scan $key %d_%d prftyp p
1965
1966            if {$ptype != $prftyp || !$expgui(globalphasemode)} {
1967                set ptype $prftyp
1968                set curhistlist $histarray($key)
1969                set curphaslist $phasearray($key)
1970               
1971                set hist1 [lindex $curhistlist 0]
1972                set phase1 [lindex $curphaslist 0]
1973                set nterms [hapinfo $hist1 $phase1 profterms]
1974                set htype [string range $expmap(htype_$hist1) 2 2]
1975                set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1976                # Create a frame for this type
1977                incr i
1978                set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1979                if {$expgui(haveBW)} {
1980                    grid [TitleFrame $expgui(ProfileBox).f.$i \
1981                            -text "(type $ptype)" \
1982                            -relief groove -bd 2] \
1983                            -column 0 -row $i -sticky ew
1984                    set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1985                    grid [frame $ProfileFrame.0] \
1986                            -column 0 -row 0 -columnspan 20 -sticky ew
1987                } else {
1988                    grid [frame $expgui(ProfileBox).f.$i \
1989                            -relief groove -bd 4] \
1990                            -column 0 -row $i -sticky ew
1991                    set ProfileFrame $expgui(ProfileBox).f.$i
1992                    grid [frame $ProfileFrame.0] \
1993                            -column 0 -row 0 -columnspan 20 -sticky ew
1994                    grid [label $ProfileFrame.0.0  \
1995                            -text "Profile Type $ptype   "] -row 0 -column 0
1996                }
1997                grid [label $ProfileFrame.0.1  \
1998                        -anchor w] -row 0 -column 1
1999                grid [frame $ProfileFrame.1] \
2000                        -column 0 -row 1 -columnspan 20 -sticky ew
2001                grid [label $ProfileFrame.1.2  \
2002                        -text "Damping"] -row 0 -column 2
2003                tk_optionMenu $ProfileFrame.1.tkOptDamp \
2004                        entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2005                grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2006                grid [button $ProfileFrame.1.edit \
2007                        -text "Global Edit"] -row 0 -column 4 -sticky w
2008                set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2009                grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2010                        -row 0 -column 5 -sticky w
2011                set col -1
2012                set row 2
2013                for { set num 1 } { $num <= $nterms } { incr num } {
2014                    set term {}
2015                    catch {set term [lindex $lbls $num]}
2016                    if {$term == ""} {set term $num}
2017                    incr col
2018                    grid [label $ProfileFrame.l${num}_${i} \
2019                            -text "$term"] -row $row -column $col
2020                    incr col
2021                    grid [checkbutton $ProfileFrame.ref${num}_${i} \
2022                            -variable entryvar(pref${num}_$i)] \
2023                            -row $row -column $col
2024                    set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2025                    if {$col > 10} {set col -1; incr row}
2026                }
2027                grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2028            } else {
2029                # add to the current entry
2030                eval lappend curhistlist $histarray($key)
2031                eval lappend curphaslist $phasearray($key)
2032                append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2033            }
2034            $ProfileFrame.0.1 config -text $boxtitle
2035            $ProfileFrame.1.edit config -command "\
2036                    EditProfile \"\n$boxtitle\" \
2037                    [list $curhistlist] \
2038                    [list $curphaslist]"
2039            $ProfileFrame.1.b1 config -command "ChangeProfileType \
2040                    [list $curhistlist] [list $curphaslist]"
2041            set entrycmd(pdamp_$i) "hapinfo \
2042                    [list $curhistlist] \
2043                    [list $curphaslist] pdamp"
2044            for { set num 1 } { $num <= $nterms } { incr num } {
2045                set entrycmd(pref${num}_$i) "hapinfo \
2046                        [list $curhistlist] \
2047                        [list $curphaslist] pref$num"
2048            }
2049        }
2050    }
2051   
2052    # resize the scroll window to match the actual
2053    update idletasks
2054    $expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2055    $expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2056    update idletasks
2057    ResizeNotebook
2058    # enable traces on entryvar now
2059    set entrycmd(trace) 1
2060}
2061
2062# process the bit settings in the print options
2063#   bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2064proc printsetting {bitnum "action get" "value {}"} {
2065    global entryvar expgui
2066    if {$action == "get"} {
2067        return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2068    } elseif $value {
2069        set newval [expr ([expinfo print] | int(pow(2,$bitnum)))]
2070    } else {
2071        set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2072    }
2073    expinfo print set $newval
2074    set expgui(printopt) "Print Options ([expinfo print])"
2075}
2076
2077# need to respond to mouse presses -- control variable associated with extract Fobs
2078# and set the LeBail extraction flags
2079proc SetupExtractHist {} {
2080    global expgui entrycmd entryvar expmap
2081
2082    # display the selected histograms
2083    $expgui(lsFrame).hs.lbox selection clear 0 end
2084    foreach h $expgui(curhist) {
2085        $expgui(lsFrame).hs.lbox selection set $h
2086    }
2087
2088    # get histogram list
2089    set histlist {}
2090    foreach item $expgui(curhist) {
2091        set hist [lindex $expmap(powderlist) $item]
2092        if {$hist != ""} {lappend histlist $hist}
2093    }
2094    set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2095    if {[llength $histlist] == 0 || [string trim $histlist] == ""} {
2096        foreach phase {1 2 3 4 5 6 7 8 9} {
2097            $expgui(FobsExtractFrame).l$phase config -fg grey
2098            set expgui(Fextract$phase) {}
2099            foreach item $expgui(ExtractSettingsRadiobuttons) {
2100                ${item}$phase config -state disabled -bd 1
2101            }
2102        }
2103    } elseif {[llength $histlist] == 1} {
2104        # disable traces on entryvar
2105        set entrycmd(trace) 0
2106        set entryvar(fobsextract) [histinfo $histlist foextract]
2107        foreach phase {1 2 3 4 5 6 7 8 9} {
2108            # is the phase present?
2109            if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2110                $expgui(FobsExtractFrame).l$phase config -fg grey
2111                set expgui(Fextract$phase) {}
2112                foreach item $expgui(ExtractSettingsRadiobuttons) {
2113                    ${item}$phase config -state disabled -bd 1
2114                }
2115            } else {
2116                $expgui(FobsExtractFrame).l$phase config -fg black
2117                foreach item $expgui(ExtractSettingsRadiobuttons) {
2118                    ${item}$phase config -state normal -bd 2
2119                }
2120                set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2121            }
2122        }
2123    } elseif {[llength $histlist] > 1} {
2124        # disable traces on entryvar
2125        set entrycmd(trace) 0
2126        # multiple histograms need phases in any histogram
2127        foreach phase {1 2 3 4 5 6 7 8 9} {
2128            set gotphase($phase) 0
2129        }           
2130        foreach hist $histlist {
2131            foreach phase $expmap(phaselist_$hist) {
2132                set gotphase($phase) 1
2133            }
2134        }
2135        foreach phase {1 2 3 4 5 6 7 8 9} {
2136            set expgui(Fextract$phase) {}
2137            if $gotphase($phase) {
2138                $expgui(FobsExtractFrame).l$phase config -fg black
2139                foreach item $expgui(ExtractSettingsRadiobuttons) {
2140                    ${item}$phase config -state normal -bd 2
2141                }
2142            } else {
2143                $expgui(FobsExtractFrame).l$phase config -fg grey
2144                foreach item $expgui(ExtractSettingsRadiobuttons) {
2145                    ${item}$phase config -state disabled -bd 1
2146                }
2147            }
2148        }
2149    }
2150    # reenable traces
2151    set entrycmd(trace) 1
2152}
2153# respond to a change in the fobs extraction method for a phase
2154# force the main extraction flag on, if fobs extraction is selected for any phase
2155proc HistExtractSet {phase} {
2156    global expgui entryvar expmap
2157    foreach item $expgui(curhist) {
2158        lappend histlist [lindex $expmap(powderlist) $item]
2159    }
2160    hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2161    incr expgui(changed)
2162    if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2163}
2164#---------------------------- Global Edit Functions ------------------------
2165proc editbackground {} {
2166    global expgui expmap entrycmd
2167    set histlist {}
2168    foreach n $expgui(curhist) {
2169        lappend histlist [lindex $expmap(powderlist) $n]
2170    }
2171    if {[llength $histlist] == 0} return
2172
2173    set w .back
2174    catch {destroy $w}
2175    toplevel $w -bg beige
2176    if {$expgui(globalmode) != 0} {
2177        wm title $w "Global Edit Background"
2178    } else {
2179        wm title $w "Edit Background"
2180    }
2181   
2182    pack [frame $w.0 -bd 6 -relief groove  -bg beige \
2183            ] -side top -expand yes -fill both
2184    if {[llength $histlist] > 1} {
2185        grid [label $w.0.a \
2186            -text "Setting background terms for histograms [CompressList $histlist]" \
2187            -bg beige] -row 0 -column 0 -columnspan 10
2188    } else {
2189        grid [label $w.0.a \
2190            -text "Setting background terms for histogram $histlist" \
2191            -bg beige] -row 0 -column 0 -columnspan 10
2192    }
2193    set hist [lindex $histlist 0]
2194    grid [label $w.0.b -text "Function type"  -bg beige]  -row 1 -column 0
2195
2196    # disable traces on  expgui(backtype) & expgui(backterms) now
2197    set entrycmd(trace) 0
2198
2199    # number of terms
2200    set expgui(backtype) [histinfo $hist backtype]
2201    set expgui(orig_backtype) $expgui(backtype)
2202    set expgui(prev_backtype) $expgui(backtype)
2203    set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2204    $typemenu delete 0 end
2205    foreach item {
2206        "1 - Shifted Chebyshev"
2207        "2 - Cosine Fourier series"
2208        "3 - Radial distribution peaks"
2209        "4 - Power series in Q**2n/n!"
2210        "5 - Power series in n!/Q**2n"
2211        "6 - Power series in Q**2n/n! and n!/Q**2n"
2212        "7 - Linear interpolation function"
2213        "8 - Reciprocal interpolation function"
2214    } {
2215        set val [lindex $item 0]
2216        $typemenu insert end radiobutton -variable expgui(backtype) \
2217                -label $item -value $val
2218    }
2219
2220    grid $w.0.type   -row 1 -column 1
2221    grid [label $w.0.c -text "  Number of terms"  -bg beige] -row 1 -column 2
2222
2223    # function type
2224    set expgui(backterms) [histinfo $hist backterms]
2225    set expgui(orig_backterms) $expgui(backterms)
2226    set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2227    eval tk_optionMenu $w.0.terms expgui(backterms) $list
2228    grid $w.0.terms   -row 1 -column 3
2229    # enable traces on  expgui(backtype) & expgui(backterms) now
2230    set entrycmd(trace) 1
2231
2232    #set background terms
2233    for {set num 1 } { $num <= 36 } { incr num } {
2234        set var "bterm$num"
2235        set expgui($var) {}
2236        set expgui(orig_$var) {}
2237    }
2238    if {[llength $histlist] == 1} {
2239        for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2240            set var "bterm$num"
2241            set expgui($var) [histinfo $histlist $var]
2242            set expgui(orig_$var) $expgui($var)
2243        }
2244    }
2245
2246    pack [frame $w.1 -bd 6 -relief groove  -bg beige] -side top \
2247            -expand yes -fill both
2248    ShowBackTerms $w.1
2249
2250    set expgui(temp) {}
2251    pack [frame $w.b] -side top
2252    pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2253    pack [button $w.b.3 -text Quit \
2254            -command "QuitEditBackground $w"] -side left
2255    bind $w <Return> "destroy $w"
2256
2257    # force the window to stay on top
2258    putontop $w
2259
2260    focus $w.b.2
2261    tkwait window $w
2262    afterputontop
2263
2264    if {$expgui(temp) != ""} return
2265
2266    if {$expgui(orig_backtype) != $expgui(backtype)} {
2267        histinfo $histlist backtype set $expgui(backtype)
2268        incr expgui(changed)
2269    }
2270    if {$expgui(orig_backterms) != $expgui(backterms)} {
2271        histinfo $histlist backterms set $expgui(backterms)
2272        incr expgui(changed)
2273    }
2274    for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2275        set var "bterm$num"
2276        if {$expgui(orig_$var) != $expgui($var)} {
2277            histinfo $histlist $var set $expgui($var)
2278            incr expgui(changed)
2279        }
2280    }
2281
2282    if {$expgui(globalmode) == 0} {
2283        set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2284        set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2285    }
2286}
2287
2288trace variable expgui(backterms) w ChangeBackTerms
2289proc ChangeBackTerms {a b c} {
2290    global entrycmd expgui
2291    if !$entrycmd(trace) return
2292    ShowBackTerms .back.1
2293}
2294
2295trace variable expgui(backtype) w ChangeBackType
2296# reset the terms to 1, 0, 0... when the number of terms increase
2297proc ChangeBackType {a b c} {
2298    global entrycmd expgui
2299    if !$entrycmd(trace) return
2300    if {$expgui(prev_backtype) == $expgui(backtype)} return
2301    set expgui(prev_backtype) $expgui(backtype)
2302    for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2303        set var "bterm$num"
2304        if {$num == 1} {
2305            set expgui($var) 1.0
2306        } else {
2307            set expgui($var) 0.0
2308        }
2309    }
2310}
2311
2312proc ShowBackTerms {w } {
2313    global expgui expmap
2314    # destroy the contents of the frame
2315    eval destroy [winfo children $w]
2316    set histlist {}
2317    foreach n $expgui(curhist) {
2318        lappend histlist [lindex $expmap(powderlist) $n]
2319    }
2320    set widgetsPerRow 4
2321    for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2322        for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) }  { incr num }  {
2323            set var "bterm$num"
2324            grid [label $w.l$num -text $num -bg beige]  \
2325                    -row $rows -column $cols -sticky nes
2326            incr cols
2327            grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2328                    ] -row $rows  -column $cols  -sticky news
2329            incr cols
2330        }
2331    }
2332}
2333
2334proc QuitEditBackground {w} {
2335    global expgui
2336    # lets find out if anything changed
2337    set changed 0
2338    if {$expgui(orig_backtype) != $expgui(backtype)} {
2339        set changed 1
2340    }
2341    if {$expgui(orig_backterms) != $expgui(backterms)} {
2342        set changed 1
2343    }
2344    for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2345        set var "bterm$num"
2346        if {$expgui(orig_$var) != $expgui($var)} {
2347            set changed 1
2348            break
2349        }
2350    }
2351    if $changed {
2352        set decision [tk_dialog .changes "Abandon Changes" \
2353                "You have made changes to the background. Ok to abandon changes?" \
2354                warning 0 Abandon Keep]
2355        if !$decision {
2356            set expgui(temp) "Quit"
2357            destroy $w
2358        }
2359    } else {
2360        set expgui(temp) "Quit"
2361        destroy $w
2362    }
2363}
2364
2365# this probably needs work
2366proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2367    global expgui expmap
2368    set w .global
2369    catch {destroy $w}
2370    toplevel $w -bg beige
2371    wm title $w "Edit Global Parameter"
2372    set expgui(temp) {}
2373    if {[llength $histlist] == 0} {
2374        set hist {}
2375        foreach n $expgui(curhist) {
2376            lappend hist [lindex $expmap(powderlist) $n]
2377        }
2378    } else {
2379        set hist $histlist
2380    }
2381    pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2382            -side top -expand yes -fill both
2383    grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2384            -bg beige] \
2385            -row 0 -column 0 -columnspan 10
2386    grid [entry $w.0.b -textvariable expgui(temp)] \
2387            -row 1 -column 0
2388
2389
2390    pack [frame $w.b] -side top
2391    pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2392    pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2393    bind $w <Return> "destroy $w"
2394
2395    # force the window to stay on top
2396    putontop $w
2397    focus $w.b.2
2398    tkwait window $w
2399    afterputontop
2400
2401    if {$expgui(temp) != ""} {
2402        foreach h $hist {
2403            if {$cmd == "histinfo"} {
2404                histinfo $h $variable set $expgui(temp)
2405                incr expgui(changed)
2406                if $expgui(debug) {
2407                    puts "histinfo $h $variable set $expgui(temp)"
2408                }
2409            } elseif {$cmd == "hapinfo"} {
2410                hapinfo $h $phase $variable set $expgui(temp)
2411                incr expgui(changed)
2412                if $expgui(debug) {
2413                    puts "hapinfo $phase $h $variable set $expgui(temp)"
2414                }
2415            } else {
2416                error "$cmd unimplemented"
2417            }
2418        }
2419    }
2420}
2421
2422proc EditProfile {title histlist phaselist} {
2423    global expgui expmap entrycmd
2424    set w .back
2425    catch {destroy $w}
2426    toplevel $w -bg beige
2427    wm title $w "Global Edit Profile"
2428    set hist [lindex $histlist 0]
2429    set phase [lindex $phaselist 0]
2430    set ptype [string trim [hapinfo $hist $phase proftype]]
2431    set htype [string range $expmap(htype_$hist) 2 2]
2432    set nterms [hapinfo $hist $phase profterms]
2433   
2434    pack [frame $w.0 -bd 6 -relief groove  -bg beige \
2435            ] -side top -expand yes -fill both
2436    grid [label $w.0.a \
2437            -text "Setting profile terms: $title" \
2438            -bg beige] -row 0 -column 0 -columnspan 10
2439    grid [label $w.0.b -text "Function type $ptype"  -bg beige]  -row 1 -column 0
2440    grid [label $w.0.c -text "  Peak cutoff" -bg beige] -row 1 -column 3
2441    grid [entry $w.0.d -width 10 ]  -row 1 -column 4
2442    set entrylist {}
2443    lappend entrylist "pcut $w.0.d"
2444
2445    set col -1
2446    set row 1
2447    set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2448    pack [frame $w.1 -bd 6 -relief groove  -bg beige \
2449            ] -side top -expand yes -fill both
2450    for { set num 1 } { $num <= $nterms } { incr num } {
2451        set term {}
2452        catch {set term [lindex $lbls $num]}
2453        if {$term == ""} {set term $num}
2454        incr col
2455        grid [label $w.1.l${num} -text "$term" -bg beige] \
2456                -row $row -column $col
2457        incr col
2458        grid [entry $w.1.ent${num} \
2459                -width 14] -row $row -column $col
2460        lappend entrylist "pterm$num $w.1.ent${num}"   
2461        if {$col > 6} {set col -1; incr row}
2462    }
2463    pack [frame $w.b] -side top
2464    pack [button $w.b.2 -text Set \
2465            -command "SetEditProfile [list $entrylist] [list $phaselist] \
2466            [list $histlist] $w"] -side left
2467    pack [button $w.b.3 -text Quit \
2468            -command "QuitEditProfile $w [list $entrylist]"] -side left
2469    bind $w <Return> "destroy $w"
2470
2471    # force the window to stay on top
2472    putontop $w
2473    focus $w.b.2
2474    tkwait window $w
2475    afterputontop
2476}
2477
2478proc SetEditProfile {entrylist phaselist histlist w} {
2479    global expgui
2480    foreach item $entrylist {
2481        set value [ [lindex $item 1] get ]
2482        if {$value != ""} {
2483            hapinfo $histlist $phaselist [lindex $item 0] set $value
2484            incr expgui(changed)
2485            if $expgui(debug) {
2486                puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2487            }
2488        }
2489    }
2490    destroy $w
2491}
2492
2493proc QuitEditProfile {w entrylist} {
2494    global expgui
2495    # lets find out if anything changed
2496    set changed 0
2497    foreach item $entrylist {
2498        if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2499    }
2500    if $changed {
2501        set decision [tk_dialog .changes "Abandon Changes" \
2502                "You have made changes to the Profile. Ok to abandon changes?" \
2503                warning 0 Abandon Keep]
2504        if !$decision {destroy $w}
2505    } else {
2506        destroy $w
2507    }
2508}
2509
2510##############################################################################
2511##                               #############################################
2512## END OF THE PROCEDURES SECTION #############################################
2513##                               #############################################
2514##############################################################################
2515
2516# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2517# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<                          <<<<<<<<<<<<<<<<<<<
2518# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<   BEGIN:  GUI SECTION    >>>>>>>>>>>>>>>>>>>
2519# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>                          >>>>>>>>>>>>>>>>>>>
2520# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2521# A frame for menu items at top of display
2522set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2523# Pack the menu frame.
2524pack $expgui(fm) -fill x -side top -anchor n
2525
2526# create a button bar
2527pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2528
2529# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2530# & LS controls
2531# 0 name,
2532# 1 title
2533# 2 create command
2534# 3 raise command
2535# 4 disable page in global mode (0/1)
2536
2537if $expgui(haveBW) {
2538    pack [NoteBook .n -bd 2] -expand yes -fill both
2539    # create an array element describing each notebook page
2540    # element 0 -- pane name
2541    #         1 -- Label on frame
2542    #         2 -- initialization command
2543    #         3 -- update command
2544    #         4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2545    #                are selected in global mode, 0 otherwise
2546    set expgui(notebookpagelist) {
2547        {lsFrame     "LS Controls" \
2548                "" \
2549                SetupExtractHist \
2550                0}
2551        {phaseFrame   Phase        \
2552                "" \
2553                "SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2554                0}
2555        {histFrame    Histogram \
2556                MakeHistPane \
2557                DisplayHistogram \
2558                1}
2559        {fracFrame    Scaling \
2560                MakeScalingPane \
2561                DisplayFrac \
2562                0}
2563        {profFrame    Profile \
2564                MakeProfilePane \
2565                DisplayProfile \
2566                1}
2567        {consFrame    Constraints \
2568                "source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2569                DisplayConstraintsPane \
2570                0}
2571        {orientFrame  "MD Pref Orient" \
2572                MakeOrientPane \
2573                DisplayOrient \
2574                0}
2575        {odfFrame  "SH Pref Orient" \
2576                "source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2577                DisplayODFPane \
2578                0}
2579    }
2580    foreach item $expgui(notebookpagelist) {
2581        set frm [lindex $item 0]
2582        set expgui($frm) [\
2583            .n insert end $frm -text [lindex $item 1] \
2584            -createcmd [lindex $item 2] \
2585            -raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2586
2587        # at this time expgui(frameactionlist) is generated
2588        # from expgui(notebookpagelist), but in the future it might
2589        # make sense to use expgui(notebookpagelist) directly
2590        lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2591
2592        # panes to disable in global "all" mode
2593        if {[lindex $item 4]} {
2594            lappend expgui(GlobalModeAllDisable) \
2595                    "$frm \{.n itemconfigure $frm\}"
2596        }
2597    }
2598} else {
2599    Notebook:create .n \
2600            -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2601    pack .n -anchor w -fill both -expand yes
2602    foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2603            orientFrame} \
2604            page {"LS Controls" Phase Histogram Scaling Profile \
2605            "MD Pref Orient"} {
2606        set expgui($item) [Notebook:frame .n $item]
2607        Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2608    }
2609    lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2610    lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2611    lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2612    lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2613    lappend expgui(frameactionlist) "profFrame DisplayProfile"
2614    lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2615    set expgui(GlobalModeAllDisable) {}
2616    lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2617    lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2618}
2619
2620# this is used to bring up the selected frame
2621proc RaisePage {nextpage} {
2622    global expgui
2623    if $expgui(haveBW) {
2624        .n see $nextpage
2625        .n raise $nextpage
2626        set expgui(pagenow) $nextpage
2627    } else {
2628        Notebook:raise .n $nextpage
2629        InitPage $nextpage
2630    }
2631}
2632# this is only called when BWidget is not in use
2633proc InitPage {nextpage} {
2634    global expgui
2635    set expgui(pagenow) $nextpage
2636    UpdateCurrentPage
2637}
2638# resize the notebook to fit all the tabs and the largest page
2639proc ResizeNotebook {} {
2640    global expgui
2641    if {$expgui(haveBW)} {
2642        .n compute_size
2643    } else {
2644        Notebook:resize .n
2645    }
2646}
2647
2648#----------------------------------------------------------------------------
2649proc MakePhasePane {} {
2650    #\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2651    global expgui entryvar entrybox entrycmd
2652    frame $expgui(phaseFrame).top
2653    set frameLatt [frame $expgui(phaseFrame).frameLatt]
2654    #  This is a big frame in the Phase notebook pane to hold atomic data.
2655    set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2656            -relief raised -borderwidth 4]
2657    #  This is a frame just below the big frame: for edits
2658    set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2659            -relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2660
2661    grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2662    grid $frameLatt -sticky news -row 2 -column 0
2663    grid $fbig -sticky news -row 3 -column 0
2664    # give extra space to the atoms box
2665    grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2666    grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2667    grid $frame3 -sticky news -row 4 -column 0
2668    grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2669    grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2670    grid [frame  $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2671    # this is where the buttons will go
2672    pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2673   
2674    grid [label $expgui(phaseFrame).top.lA -text title: \
2675            -fg blue ] -column 1 -row 0 -sticky e
2676    grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2677            -fg blue -width 45] -column 2 -row 0 -sticky e
2678    grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2679    # ------------- Lattice Parameter Box ------------------
2680    set row 0
2681    foreach col {2 4 6} var {a b c} lbl {a b c} {
2682        grid [label $frameLatt.l$var -text $lbl] \
2683                -column $col -row $row -padx 5 -sticky e
2684        incr col
2685        grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2686            -column $col -row $row -padx 5
2687        set entrybox($var) $frameLatt.e$var
2688    }
2689    incr row
2690    foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2691        grid [label $frameLatt.l$var -text $lbl -font symbol] \
2692                -column $col -row $row -padx 5 -sticky e
2693        incr col
2694        grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2695            -column $col -row $row -padx 5
2696        set entrybox($var) $frameLatt.e$var
2697    }
2698   
2699    grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2700    grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2701    set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2702    grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2703    tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2704    grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2705    grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2706            -column 1 -row 0 -rowspan 2
2707    if [file executable $expgui(exptool)] {
2708        grid [button $frameLatt.newp -text Replace\nPhase \
2709                -command MakeReplacePhaseBox] \
2710                -column 0 -row 0 -rowspan 2 -sticky w
2711    }
2712    grid columnconfig $frameLatt  1 -weight 1
2713    grid columnconfig $frameLatt  0 -weight 1
2714    #-------------- Begin Atom Coordinates Box  ------------------------------
2715    grid [listbox  $fbig.title -height 1 -relief flat \
2716            -exportselection 0 -bg lightgrey -fg black \
2717            -selectforeground black -selectbackground lightgrey] \
2718            -row 0 -column 0 -sticky ew
2719    set expgui(atomtitle) $fbig.title
2720    bind $expgui(atomtitle) <Button-1> {
2721        set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2722        incr i
2723        set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2724        DisplayAllAtoms
2725    }
2726    bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2727
2728    $expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2729    grid [listbox   $fbig.lbox -height 10 \
2730            -exportselection 0 \
2731            -xscrollcommand " $fbig.bscr set"\
2732            -yscrollcommand " $fbig.rscr set"\
2733            ] -row 1 -column 0 -sticky news
2734    set expgui(atomlistbox) $fbig.lbox
2735    $expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2736    grid [scrollbar $fbig.bscr -orient horizontal \
2737            -command "move2boxes \" $fbig.title $fbig.lbox \" " \
2738            ] -row 2 -column 0 -sticky ew
2739    grid [scrollbar $fbig.rscr  -command "$fbig.lbox yview" \
2740            ] -row 1 -column 1 -sticky ns
2741    # give extra space to the atoms box
2742    grid columnconfigure $fbig 0 -weight 1
2743    grid rowconfigure $fbig 1 -weight 1
2744   
2745    #   BIND mouse in editbox
2746    bind $expgui(atomlistbox) <ButtonRelease-1>   editRecord
2747    bind $expgui(atomlistbox) <Button-3>   SelectAllAtoms
2748   
2749    #-------------- End Atoms Section  ---------------------------------
2750
2751    # --------------------------- Begin Edit Box ------------------------
2752    grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2753            -column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2754    if [file executable $expgui(exptool)] {
2755        button $frame3.newa -text "Add New Atoms" \
2756                -bg $expgui(bkgcolor1) -highlightthickness 0 \
2757                -command {MakeAddAtomsBox $expgui(curPhase)}
2758        grid $frame3.newa -column 11 -row 0
2759    }
2760    button [set expgui(atomxform) $frame3.xa] \
2761            -bg $expgui(bkgcolor1) -highlightthickness 0 \
2762            -command {MakeXformAtomsBox $expgui(curPhase)}
2763    grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2764
2765    set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2766    grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2767    foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2768        grid [checkbutton $frame3.cf$col \
2769                -text $lbl -variable entryvar($var) \
2770                -bg $expgui(bkgcolor1) -highlightthickness 0 \
2771                -activebackground $expgui(bkgcolor1)] \
2772                -column $col -row 1 -padx 4 -pady 3 -sticky w
2773    }
2774    set f3l4 [label $frame3.l4 -text "  Damping:" -bg $expgui(bkgcolor1)]
2775    grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2776   
2777    set col 4
2778    foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2779        grid [label $frame3.lom$num -text $lbl \
2780                -bg $expgui(bkgcolor1)] \
2781                -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2782        tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2783        $frame3.om$num config -highlightthickness 0
2784        grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2785    }
2786    set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2787    set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2788   
2789    set coords [frame $frame3.coords  -width 100 -borderwidth 0  -bg $expgui(bkgcolor1)]
2790    grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2791   
2792    set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2793    grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2794    set expgui(atomlabels) $f3l1
2795
2796    set f3e1 [entry  $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2797    grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2798    set expgui(atomentry) $f3e1
2799
2800    set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2801    grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2802    lappend expgui(atomlabels) $f3l8
2803    set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2804    grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2805    lappend expgui(atomlabels) $f3l11
2806
2807    foreach var {x y z frac} col {3 4 5 7} {
2808        set entrybox($var) [entry $frame3.coords.e$var \
2809                -textvariable entryvar($var) -width 10]
2810        grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2811        lappend expgui(atomentry) $entrybox($var)
2812    }
2813
2814
2815    set f3f31 [frame $frame3.f3f31  -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2816    grid $f3f31 -column 0 -row 7 -columnspan 12
2817    set expgui(anisolabels) {}
2818    foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2819        lappend expgui(anisolabels)  [\
2820                label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2821        ]
2822    }
2823    set expgui(anisoentry) {}
2824    foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2825        lappend expgui(anisoentry) [\
2826                entry $f3f31.$i -textvariable entryvar($var) \
2827                -width 10]
2828        set entrybox($var) $f3f31.$i
2829    }
2830   
2831    set col 0
2832    foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2833        grid $item1 -column $col -row 0 -sticky nsw -pady 3
2834        incr col
2835        grid $item2 -column $col -row 0 -sticky nsw -pady 3
2836        incr col
2837    }
2838    # --------------------------- End Edit Box -------------------------
2839   
2840    #/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2841    # resize in case the pane needs more space
2842    ResizeNotebook
2843}
2844
2845proc move2boxes {boxlist args} {
2846    foreach listbox $boxlist {
2847        eval $listbox xview $args
2848    }
2849}
2850#-----------------------------------------------------------------------------
2851proc MakeHistPane {} {
2852    #v v v v v v v v v v  BEGINNING OF HISTOGRAM PANE CODE v v v v v v v v v v
2853    global expgui
2854   
2855    grid columnconfigure $expgui(histFrame) 0 -weight 1
2856    grid rowconfigure $expgui(histFrame) 1 -weight 1
2857    grid rowconfigure $expgui(histFrame) 2 -weight 1
2858    grid rowconfigure $expgui(histFrame) 3 -weight 1
2859
2860    grid [frame $expgui(histFrame).hs] \
2861            -column 0 -row 0 -rowspan 10 -sticky nsew
2862    MakeHistBox $expgui(histFrame).hs
2863    bind $expgui(histFrame).hs.lbox <ButtonRelease-1>  {
2864        set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2865        DisplayHistogram
2866    }
2867    bind $expgui(histFrame).hs.lbox <Button-3>  {
2868        if $expgui(globalmode) {
2869            $expgui(histFrame).hs.lbox selection set 0 end
2870            set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2871            DisplayHistogram
2872        }
2873    }
2874   
2875    frame $expgui(histFrame).top -borderwidth 4 -relief groove
2876    grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2877    if $expgui(haveBW) {
2878        foreach item {backBox diffBox} num {2 3} \
2879                title {Background "Diffractometer Constants"} {
2880            TitleFrame $expgui(histFrame).$item  \
2881                    -borderwidth 4 -side left -relief groove -text $title
2882            set expgui($item) [$expgui(histFrame).$item getframe]
2883            grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2884            grid rowconfigure $expgui(histFrame) $num -minsize 100
2885        }
2886    } else {
2887        foreach item {backBox diffBox} num {1 2} \
2888                title {Background "Diffractometer Constants"} {
2889            frame $expgui(histFrame).$item  -borderwidth 4 -relief groove
2890            grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2891            set expgui($item)  $expgui(histFrame).$item
2892            grid [label $expgui(histFrame).$item.title -text $title] \
2893                    -row 0 -column 0 -columnspan 10 -sticky nw
2894        }
2895    }
2896    if [file executable $expgui(exptool)] {
2897        button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2898        grid $expgui(histFrame).newh -column 1 -row 6
2899    }
2900
2901    # BACKGROUND information.
2902    # <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND  <<<<<<<<<<<<<<<<<<<<<
2903    grid [frame $expgui(backBox).frm1 ] -row 0 -column 0  -columnspan 11
2904    grid [label $expgui(backBox).frm1.lBGType \
2905            -textvariable expgui(backtypelbl)] \
2906            -row 1 -column 0 -sticky nws  -padx 2 -pady 3
2907    grid [label $expgui(backBox).frm1.lBGTerms \
2908            -textvariable expgui(backtermlbl)] \
2909            -row 1 -column 1 -sticky nws  -padx 2 -pady 3
2910    grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2911            -command editbackground] \
2912            -row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2913    grid [frame $expgui(backBox).frm2 ] \
2914            -row 1 -column 0 -columnspan 11 -sticky e
2915    grid [label $expgui(backBox).frm2.lfBG -text "  Refine background" ] \
2916            -row 2 -column 1 -sticky news -padx 4 -pady 3
2917    grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2918            -variable  entryvar(bref) ] \
2919            -row 2 -column 2 -sticky news -padx 4 -pady 3
2920    grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2921            -row 2 -column 3 -sticky w    -padx 2 -pady 3
2922    tk_optionMenu $expgui(backBox).frm2.om  entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2923    grid $expgui(backBox).frm2.om \
2924            -row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2925    #^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2926    # insert the histograms & resize in case the pane needs more space
2927    sethistlist
2928    ResizeNotebook
2929}
2930###############################################################################
2931proc MakeScalingPane {} {
2932    #v v v v v v v v v v  BEGINNING OF SCALING PANE CODE v v v v v v v v v v
2933    global expgui entryvar entrybox
2934
2935    pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2936    MakeHistBox $expgui(fracFrame).hs
2937    bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2938        set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2939        DisplayFrac
2940    }
2941    bind $expgui(fracFrame).hs.lbox <Button-3>  {
2942        if $expgui(globalmode) {
2943            $expgui(fracFrame).hs.lbox selection set 0 end
2944            set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2945            DisplayFrac
2946        }
2947    }
2948
2949    pack [frame $expgui(fracFrame).f1] -fill both -expand true
2950    # Create a large canvas area containing a frame for each phase in the data set.
2951    # The canvas and vertical scrollbar are inside a frame called f1
2952    if $expgui(haveBW) {
2953        TitleFrame $expgui(fracFrame).f1.scaleBox \
2954                -borderwidth 4 -text "Scale Factor"
2955        #           -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2956        grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2957        set expgui(scaleBox)  [$expgui(fracFrame).f1.scaleBox getframe]
2958        grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2959                -row 1 -column 0 -sticky nws  -padx 2 -pady 3
2960    } else {
2961        frame $expgui(fracFrame).f1.scaleBox  -borderwidth 4 -relief groove
2962        grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2963        set expgui(scaleBox)  $expgui(fracFrame).f1.scaleBox
2964        grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2965                -row 1 -column 0 -sticky nws  -padx 2 -pady 3
2966    }
2967    grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2968            -row 1 -column 1 -sticky ew -padx 4 -pady 3
2969    set entrybox(scale) $expgui(scaleBox).ent1
2970
2971    button $expgui(scaleBox).but1 -text "Set Globally" \
2972            -command "editglobalparm histinfo scale {Scale Factor}"
2973
2974    grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2975            -row 1 -column 2 -sticky nws  -padx 2 -pady 3
2976    grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2977            -row 1 -column 3 -sticky news -padx 4 -pady 3
2978    grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2979            -row 1 -column 4 -sticky w    -padx 2 -pady 3
2980    tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2981    grid $expgui(scaleBox).om \
2982            -row 1 -column 5 -sticky news -padx 4 -pady 3
2983    grid columnconfigure $expgui(scaleBox) 6  -weight 1
2984   
2985    if $expgui(haveBW) {
2986        grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2987                -text "Phase Fractions" -relief groove] \
2988                -sticky news -row 1 -column 0 -columnspan 2
2989        set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2990    } else {
2991        set PhaseFractBox $expgui(fracFrame).f1
2992    }
2993    grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2994    grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2995   
2996    grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2997            -scrollregion {0 0 5000 500} \
2998            -yscrollcommand "$PhaseFractBox.yscroll set" \
2999            -width 500 -height 350 -bg lightgrey]] \
3000            -sticky  news -row 1 -column 0
3001    grid [scrollbar $PhaseFractBox.yscroll \
3002            -command "$expgui(FracBox) yview" \
3003            -orient vertical] \
3004            -sticky ns -row 1 -column 1
3005    frame $expgui(FracBox).f -bd 0
3006    $expgui(FracBox) create window 0 0 -anchor nw  -window $expgui(FracBox).f
3007
3008    # the rest of the page is created in DisplayFrac
3009
3010    # insert the histograms & resize in case the pane needs more space
3011    sethistlist
3012    ResizeNotebook
3013    # ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3014}
3015###############################################################################
3016proc MakeProfilePane {} {
3017    global expgui
3018    # v v v v v v v v v v BEGINNING OF PROFILE PANE CODE v v v v v v v v v v v
3019    pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
3020    MakeHistBox $expgui(profFrame).hs
3021    bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3022        set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3023        DisplayProfile
3024    }
3025    bind $expgui(profFrame).hs.lbox <Button-3>  {
3026        if $expgui(globalmode) {
3027            $expgui(profFrame).hs.lbox selection set 0 end
3028            set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3029            DisplayProfile
3030        }
3031    }
3032
3033    # Create a large canvas area containing a frame for each phase in the data set.
3034    # The canvas and vertical scrollbar are inside a frame called f1
3035    pack [frame $expgui(profFrame).f1] -fill both -expand true
3036    grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3037            -scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3038            -sticky  news -row 0 -column 0
3039    grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3040            -sticky ns -row 0 -column 1
3041   
3042    $expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3043    $expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3044   
3045    grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3046    grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3047    frame $expgui(ProfileBox).f -bd 0
3048    $expgui(ProfileBox) create window 0 0 -anchor nw  -window $expgui(ProfileBox).f
3049   
3050    # insert the histograms & resize in case the pane needs more space
3051    sethistlist
3052    ResizeNotebook
3053    # ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3054}
3055
3056##############################################################################
3057# v v v v v v v v v v BEGINNING OF LS PANE CODE v v v v v v v v v v v v v
3058array set printopts {
3059    0 "Print the reciprocal metric tensor changes"
3060    1 "Print the correlation matrix"
3061    2 "Print the Least-Squares matrices and vectors"
3062    4 "Print the linear constraint matrices"
3063    5 "Print the applied  shifts and shift factors"
3064    6 "Print the reciprocal metric tensor Var-Covar terms"
3065    7 "Print all parameters for each cycle"
3066    8 "Print summary shift/esd data after last cycle"
3067    9 "Print zero/unit pole figure constraint terms"
3068}
3069pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3070MakeHistBox $expgui(lsFrame).hs
3071bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3072    set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3073    SetupExtractHist
3074}
3075bind $expgui(lsFrame).hs.lbox <Button-3>  {
3076    if $expgui(globalmode) {
3077        $expgui(lsFrame).hs.lbox selection set 0 end
3078        set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3079        SetupExtractHist
3080    }
3081}
3082
3083pack [frame $expgui(lsFrame).f1] -fill both -expand true
3084grid rowconfigure $expgui(lsFrame).f1  4 -weight 1
3085set row 0
3086grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3087grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3088        -textvariable expgui(last_History)] \
3089        -row $row -column 1 -columnspan 5 -sticky w
3090incr row
3091grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3092grid [entry $expgui(lsFrame).f1.tit2 \
3093        -textvariable entryvar(title) -width 48] \
3094        -row $row -column 1 -columnspan 5 -sticky w
3095set entrycmd(title) "expinfo title"
3096
3097incr row
3098grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3099        -row $row -column 0 -columnspan 2 -pady 3
3100grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3101grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3102        -textvariable entryvar(cycles)] -row 0 -column 1
3103set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3104grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3105        -menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3106        ] -row $row -column 2
3107menu $expgui(lsFrame).f1.lprint.menu
3108foreach num [lsort [array names printopts]] {
3109    $expgui(lsFrame).f1.lprint.menu add checkbutton \
3110            -label "$printopts($num) ([expr int(pow(2,$num))])"\
3111        -variable entryvar(printopt$num)
3112}
3113#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3114#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3115#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3116incr row
3117if {$expgui(haveBW)} {
3118    grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3119            -text "Reflection Intensity Extraction" \
3120            ] -row $row -column 0 -columnspan 6
3121    set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3122} else {
3123    grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3124            ] -row $row -column 0 -columnspan 6
3125    set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3126}
3127grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3128grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3129        -row 0 -column 8 -columnspan 3 -sticky e
3130grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3131        -row 0 -column 2
3132grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3133        -variable entryvar(fobsextract)] -row 0 -column 3
3134foreach num {1 2 3 4 5 6 7 8 9} {
3135    grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3136    grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3137            -command "HistExtractSet $num" \
3138            -variable expgui(Fextract$num) -value 0] \
3139            -row 2 -column $num
3140    grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3141            -command "HistExtractSet $num" \
3142            -variable expgui(Fextract$num) -value 1] \
3143            -row 3 -column $num
3144    grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3145            -command "HistExtractSet $num" \
3146            -variable expgui(Fextract$num) -value 2] \
3147            -row 4 -column $num
3148}
3149set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3150lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3151lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3152
3153grid [label $expgui(FobsExtractFrame).t \
3154        -text "Extraction\nMethod" -anchor c] \
3155        -column 0 -row 0 -rowspan 2 -sticky s
3156grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3157        -column 1 -row 0 -columnspan 7 -sticky sw
3158grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3159grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3160grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3161grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3162grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3163# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3164#-------------------------------------------------------------------------
3165#-------------------------------------------------------------------------
3166#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3167
3168#---- file menu button
3169menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3170menu $expgui(fm).file.menu
3171if $expgui(debug) {
3172    $expgui(fm).file.menu add command -label "Reset" -command "reset"
3173}
3174if {$expgui(shell)} {
3175    $expgui(fm).file.menu add command -label "expnam" -command readnewexp
3176}
3177$expgui(fm).file.menu add command -label "Save" -underline 0 \
3178        -command savearchiveexp
3179foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3180$expgui(fm).file.menu add command -label "Save As" \
3181        -command "SaveAsFile"
3182$expgui(fm).file.menu add command -label "Reread .EXP file" \
3183        -command {rereadexp $expgui(expfile)}
3184
3185#---- help menu button
3186menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3187menu $expgui(fm).help.menu
3188$expgui(fm).help.menu add command -command showhelp -underline 0 \
3189        -label "Help on Command"
3190foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3191$expgui(fm).help.menu add command -label "About..." -command About
3192
3193#---- options menu button
3194menubutton $expgui(fm).option -text Options \
3195        -menu $expgui(fm).option.menu
3196menu $expgui(fm).option.menu
3197
3198if {$expgui(shell)} {
3199    $expgui(fm).option.menu add checkbutton  -label "Archive EXP" \
3200            -variable expgui(archive)
3201    $expgui(fm).option.menu add checkbutton  -label "Use DISAGL window" \
3202            -variable expgui(disaglSeparateBox)
3203}
3204$expgui(fm).option.menu add cascade -menu  $expgui(fm).option.menu.asort \
3205        -label "Sort atoms by"
3206
3207set expgui(asorttype) number
3208menu $expgui(fm).option.menu.asort
3209foreach opt {number type mult x y z occupancy} {
3210    $expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3211            -label $opt -value $opt -variable expgui(asorttype)
3212}
3213
3214$expgui(fm).option.menu add cascade -menu  $expgui(fm).option.menu.hsort \
3215        -label "Sort histograms by"
3216
3217set expgui(hsorttype) number
3218menu $expgui(fm).option.menu.hsort
3219$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3220        -label number -value number -variable expgui(hsorttype)
3221$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3222        -label "Histogram type" -value type -variable expgui(hsorttype)
3223$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3224        -label "Bank #" -value bank -variable expgui(hsorttype)
3225$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3226        -label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3227
3228#---- Global mode menu button
3229$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3230        -label "Multiple hist. selection"
3231menu $expgui(fm).option.menu.editmode
3232$expgui(fm).option.menu.editmode add radiobutton  -label "Off" \
3233        -variable expgui(globalmode) -value 0 \
3234        -command sethistlist
3235$expgui(fm).option.menu.editmode add radiobutton  -label "All" \
3236        -variable expgui(globalmode) -value 6 \
3237        -command sethistlist
3238$expgui(fm).option.menu.editmode add radiobutton  -label "TOF" \
3239        -variable expgui(globalmode) -value 1 \
3240        -command sethistlist
3241$expgui(fm).option.menu.editmode add radiobutton  -label "CW Neutron" \
3242        -variable expgui(globalmode) -value 2  \
3243        -command sethistlist
3244$expgui(fm).option.menu.editmode add radiobutton  -label "Alpha12 Xray" \
3245        -variable expgui(globalmode) -value 3 \
3246        -command sethistlist
3247$expgui(fm).option.menu.editmode add radiobutton  -label "Monochromatic Xray" \
3248        -variable expgui(globalmode) -value 4 \
3249        -command sethistlist
3250$expgui(fm).option.menu.editmode add radiobutton  -label "Energy Disp Xray" \
3251        -variable expgui(globalmode) -value 5 \
3252        -command sethistlist
3253$expgui(fm).option.menu.editmode add separator
3254$expgui(fm).option.menu.editmode add checkbutton \
3255        -label "Group phases together" \
3256        -variable expgui(globalphasemode) \
3257        -command sethistlist
3258
3259set expgui(globalmode) 0
3260set expgui(globalphasemode) 1
3261
3262if {$tcl_platform(platform) == "unix"} {
3263    $expgui(fm).option.menu  add checkbutton -label "Override backspace" \
3264            -variable env(GSASBACKSPACE)
3265    if {$expgui(shell)} {
3266        $expgui(fm).option.menu  add checkbutton -label "Autoload EXP" \
3267                -variable expgui(autoexpload)
3268    }
3269}
3270
3271$expgui(fm).option.menu add command -label "Save Options" \
3272        -command "SaveOptions"
3273
3274pack $expgui(fm).file $expgui(fm).option -side left  -in $expgui(fm)
3275
3276if {$expgui(shell)} {
3277    foreach menu $expgui(menunames) {
3278        set m [string tolower $menu]
3279        pack [menubutton $expgui(fm).$m -text $menu \
3280                -menu $expgui(fm).$m.menu] -side left
3281        menu $expgui(fm).$m.menu
3282    }
3283}
3284pack $expgui(fm).help  -side right -in $expgui(fm)
3285
3286if {$expgui(shell)} {
3287    # add the commands in expgui_menulist
3288    foreach menu [array names expgui_menulist ] {
3289        foreach cmd $expgui_menulist($menu) {
3290            set action {}
3291            set opt {}
3292            catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3293            catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3294            if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3295            if {$action != "" && $action != "-"} {
3296                eval $expgui(fm).$menu.menu add command \
3297                        -label $cmd $opt -command [list [subst $action]]
3298                if {[lindex $opt 0] == "-underline"} {
3299                    catch {
3300                        set num [lindex $opt 1]
3301                        set key [string range $cmd $num $num]
3302                        bind . <Alt-[string tolower $key]> [subst $action]
3303                        bind . <Alt-[string toupper $key]> [subst $action]
3304                    }
3305                }
3306            }
3307        }
3308    }
3309}
3310# setup command help
3311foreach cmd [array names expgui_cmdlist] {
3312    set help {}
3313    catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3314    if {$help == ""} {
3315        if {$expgui(debug)} {puts "no help for $cmd"}
3316    } else {
3317        # remove
3318        regsub -all \x09 $help " " help
3319        # preserve blank lines
3320        regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3321        regsub -all \x0A $help " " help
3322        regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3323        regsub -all " +" $help " " help
3324        set expgui_helplist($cmd) [string trim $help]
3325    }
3326}
3327if {$expgui(shell)} {
3328    # set up button bar
3329    foreach cmd $expgui(buttonlist) {
3330        set action {}
3331        catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3332        if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3333        if {$action != ""} {
3334            pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3335                    -text $cmd -command [list [subst $action]]] -side left
3336        }
3337    }
3338}
3339
3340$expgui(fm).file.menu add command -label "Exit"  -underline 1 -command catchQuit
3341foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3342#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3343
3344# make the phase pane
3345MakePhasePane
3346# and the rest of the windows w/o BWidget
3347if !$expgui(haveBW) {
3348    MakeHistPane
3349    MakeScalingPane
3350    MakeProfilePane
3351}
3352
3353# handle indirect exits
3354wm protocol . WM_DELETE_WINDOW catchQuit
3355bind . <Control-c> catchQuit
3356
3357set expgui(curPhase) ""
3358set expgui(pagenow) ""
3359set expgui(curhist) {}
3360set expgui(selectedatomlist) {}
3361
3362loadexp $expgui(expfile)
3363
3364# select the 1st phase
3365SelectOnePhase [lindex $expmap(phaselist) 0]
3366# select the first histogram in the list by default (if there are any)
3367if {[llength $expmap(histlistboxcontents)] > 0} {
3368    set expgui(curhist) 0
3369} else {
3370    set expgui(curhist) {}
3371}
3372
3373# execute any local commands for final initialization
3374eval $expgui(initstring)
3375
3376# resize the notebook to fit all the tabs and the largest page
3377ResizeNotebook
3378
3379RaisePage lsFrame
3380if {[CountHistory] > 100} {
3381    DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3382}
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