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source: trunk/expgui @ 255

Last change on this file since 255 was 255, checked in by toby, 14 years ago
# on 2000/08/04 18:29:16, toby did: Change phase buttons, add "Add Phase" after last phase change old "Add Phase" to "Replace Phase" (not yet implemented) Add xform atoms button w/dialog implement sort on occupancy change error message when a non-existing atom is selected (happens with empty phase) implement phase flags -- when more than one phase is present move SetPhaseFlag? to readexp.tcl /
Property rcs:author set to `toby` Property rcs:date set to `2000/08/04 18:29:16` Property rcs:lines set to `+41 -35` Property rcs:rev set to `1.31` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 116.9 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 255 2009-12-04 23:03:00Z toby $
3	set expgui(Revision) {$Revision: 255 $ $Date: 2009-12-04 23:03:00 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$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	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	} else {
43	set expgui(expfile) {}
44	}
45
46	set expgui(curhist) {}
47	set expmap(powderlist) {}
48
49	set expgui(debug) 0
50	catch {if $env(DEBUG) {set expgui(debug) 1}}
51	#set expgui(debug) 1
52
53	# default for archive mode = on
54	set expgui(archive) 1
55	# default for autoexec load = off
56	set expgui(autoexpload) 0
57	# save the name of the wish executable
58	set wishshell [info nameofexecutable]
59	# misc constants
60	set txtvw(font) "Courier"
61	set expgui(coordfont) "--courier-bold-r-normal--12-"
62	set expgui(histfont) "--courier-bold-r-normal--12-"
63	set liveplot(hst) 1
64	set liveplot(legend) 1
65	set expgui(filesort) 1
66	set expgui(initstring) {}
67	# use a separate window for DISAGL (default)
68	set expgui(disaglSeparateBox) 1
69	set expgui(DefaultPeakType) 0
70	#=============================================================================
71	#----------------------------------------------------------------
72	# where are we?
73	set expgui(script) [info script]
74	# translate links -- go six levels deep
75	foreach i {1 2 3 4 5 6} {
76	if {[file type $expgui(script)] == "link"} {
77	set link [file readlink $expgui(script)]
78	if { [file pathtype $link] == "absolute" } {
79	set expgui(script) $link
80	} {
81	set expgui(script) [file dirname $expgui(script)]/$link
82	}
83	} else {
84	break
85	}
86	}
87	# fixup relative paths
88	if {[file pathtype $expgui(script)] == "relative"} {
89	set expgui(script) [file join [pwd] $expgui(script)]
90	}
91	set expgui(scriptdir) [file dirname $expgui(script) ]
92	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
93	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
94	#----------------------------------------------------------------
95	lappend auto_path $expgui(scriptdir)
96	set expgui(havetix) 0
97	set expgui(haveBW) 1
98	# for debugging non-BWidget version set environment variable NOBWIDGET
99	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
100	if $expgui(haveBW) {
101	if [catch {package require BWidget}] {set expgui(haveBW) 0}
102	}
103	# get the notebook widget if not using BWidgets
104	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
105	#----------------------------------------------------------------
106	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
107	source [file join $expgui(scriptdir) opts.tcl]
108	}
109	# fetch EXP file processing routines
110	source [file join $expgui(scriptdir) readexp.tcl]
111	# commands for running GSAS programs
112	source [file join $expgui(scriptdir) gsascmds.tcl]
113	# contents of GSAS menus
114	source [file join $expgui(scriptdir) gsasmenu.tcl]
115	# commands for adding phases, histograms & atoms
116	source [file join $expgui(scriptdir) addcmds.tcl]
117	# commands for preferred orientation
118	source [file join $expgui(scriptdir) orient.tcl]
119	#---------------------------------------------------------------------------
120	# override options with locally defined values
121	if [file exists [file join $expgui(scriptdir) localconfig]] {
122	source [file join $expgui(scriptdir) localconfig]
123	}
124	if [file exists [file join ~ .gsas_config]] {
125	source [file join ~ .gsas_config]
126	}
127	if {$tcl_platform(platform) == "windows"} {
128	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
129	} else {
130	set expgui(exptool) [file join $expgui(gsasexe) exptool]
131	}
132	#---------------------------------------------------------------------------
133	if {$expgui(expfile) != ""} {
134	if ![file exists $expgui(expfile)] {
135	update
136	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
137	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
138	error 0 "Create" "Open other"]
139	if $ans {set expgui(expfile) {}}
140	}
141	}
142	if {$expgui(expfile) == ""} {
143	# center the parent window because the getExpFileName window
144	# will be centered above it.
145	wm withdraw .
146	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
147	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
148	wm geom . +$x+$y
149	wm deiconify .
150	# windows needed this update before when using tk_getOpenFile.
151	# I am not sure it is still needed.
152	update
153	#
154	set expgui(expfile) [getExpFileName old]
155	}
156	if {$expgui(expfile) == ""} exit
157	# you've been warned this .EXP does not exist!
158	if ![file exists $expgui(expfile)] {
159	# create an "empty" exp file
160	createexp $expgui(expfile) \
161	[getstring "title for experiment $expgui(expfile)" 60 0]
162	}
163	catch {cd [string trim [file dirname $expgui(expfile)]]}
164
165	#
166	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
167	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
168	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
169	# load exp file and set up dialogs
170	proc loadexp {expfile} {
171	global expgui expmap entryvar entrycmd tcl_platform
172	set exploadtime [time {set fmt [expload $expfile]}]
173	if $expgui(debug) {puts "expload $exploadtime"}
174	# if the file was not in the correct format, force a rewrite before use
175	if {$fmt < 0} {
176	# read error
177	return
178	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
179	set expgui(changed) 1
180	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
181	set expgui(changed) 1
182	} else {
183	set expgui(changed) 0
184	}
185
186	# force exp files to be upper case, force save if name changes
187	set filetail [file tail $expfile]
188	set filetailcaps [string toupper $filetail]
189	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
190	set expgui(changed) 1
191	}
192	if {[file dirname $expfile] == "."} {
193	set expgui(expfile) $filetailcaps
194	} else {
195	set expgui(expfile) [file join \
196	[file dirname $expfile] $filetailcaps]
197	}
198
199	mapexp
200	set expgui(expModifiedLast) 0
201	catch {
202	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
203	}
204	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
205	# set the window/icon title
206	wm title . "EXPGUI $expfile"
207	set expgui(titleunchanged) 1
208	wm iconname . [file tail $expfile]
209
210	# set the number of phases on the phase page
211	setphases
212
213	# disable the "global options" that don't make sense based on
214	# which histograms present
215	foreach num {1 2 3 4 5} {
216	set flag($num) 0
217	}
218	# save a list of the allowed modes, too
219	set expgui(AllowedHistSelectModes) {0 6}
220	foreach h $expmap(powderlist) {
221	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
222	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
223	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
224	[histinfo $h lam2] != 0.0} {set flag(3) 1}
225	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
226	[histinfo $h lam2] == 0.0} {set flag(4) 1}
227	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
228	}
229	foreach num {1 2 3 4 5} \
230	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
231	"Energy Disp Xray"} {
232	if $flag($num) {
233	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
234	lappend expgui(AllowedHistSelectModes) $num
235	} else {
236	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
237	}
238	}
239	# disable traces on entryvar until we are ready
240	set entrycmd(trace) 0
241	trace vdelete entryvar w entvartrace
242
243	# propogate changes on the least squares page
244	set entryvar(cycles) [expinfo cycles]
245	set entrycmd(cycles) "expinfo cycles"
246	# set expgui(globalmode) 0
247	set expgui(printopt) "Print Options ([expinfo print])"
248	set entryvar(title) [expinfo title]
249	global printopts
250	foreach num [array names printopts] {
251	set entrycmd(printopt$num) "printsetting $num"
252	set entryvar(printopt$num) [printsetting $num]
253	}
254	# enable traces on entryvar
255	set entrycmd(trace) 1
256	trace variable entryvar w entvartrace
257
258	# set fo extraction on LS page
259	SetupExtractHist
260
261	# update the histogram list & update the page
262	sethistlist
263
264	# start checking for external changes
265	afterawhile
266	}
267
268	# called to reread the .EXP file
269	proc rereadexp {expfile} {
270	global expgui
271	if $expgui(changed) {
272	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
273	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
274	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
275	switch $decision {
276	0 { savearchiveexp }
277	1 { }
278	2 { return }
279	}
280	}
281	loadexp $expgui(expfile)
282	}
283
284	proc SaveAsFile {} {
285	global expgui
286	set newexpfile [getExpFileName new]
287	if {$newexpfile == ""} return
288	expwrite $newexpfile
289	set expgui(expfile) $newexpfile
290	catch {cd [string trim [file dirname $expgui(expfile)]]}
291	set expgui(changed) 0
292	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
293	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
294	# set the window/icon title
295	wm title . $expgui(expfile)
296	set expgui(titleunchanged) 1
297	wm iconname . [file tail $expgui(expfile)]
298	}
299
300	# called to read a different .EXP file
301	proc readnewexp {} {
302	global expgui expmap
303	if $expgui(changed) {
304	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
305	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
306	{} 0 "Save and read" "Read without Save" "Cancel read command"]
307	switch $decision {
308	0 { savearchiveexp }
309	1 { }
310	2 { return }
311	}
312	}
313	set newexpfile [getExpFileName old]
314	if {$newexpfile == ""} return
315
316	# switch to the 1st page
317	RaisePage lsFrame
318
319	if ![file exists $newexpfile] {
320	# you've been warned this .EXP does not exist!
321	# create an "empty" exp file
322	createexp $newexpfile \
323	[getstring "title for experiment $newexpfile" 60 0]
324	}
325	set expgui(expfile) $newexpfile
326	catch {cd [string trim [file dirname $expgui(expfile)]]}
327	set expgui(globalmode) 0
328	loadexp $expgui(expfile)
329
330	# select the 1st phase
331	SelectOnePhase [lindex $expmap(phaselist) 0]
332	# select the first histogram in the list by default (if there are any)
333	if {[llength $expmap(histlistboxcontents)] > 0} {
334	set expgui(curhist) 0
335	} else {
336	set expgui(curhist) {}
337	}
338	if {[CountHistory] > 100} {
339	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
340	}
341	}
342
343	#------------- set up data read/write layer ----------------------
344	# trace routine on entryvar
345	proc entvartrace {array elem action} {
346	global expgui entrycmd entryvar
347	if !$entrycmd(trace) return
348
349	catch {
350	if {$entrycmd($elem) == ""} return
351	incr expgui(changed)
352	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
353	if {$entrycmd($elem) == ""} return
354	if [catch {
355	eval $entrycmd($elem) set [list $entryvar($elem)]
356	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
357	after idle {DisplayAllAtoms noreset}
358	}
359	} errmsg] {puts "entvartrace error: $errmsg"}
360	}
361	}
362
363	# disable traces on entryvar until we are ready
364	set entrycmd(trace) 0
365	trace variable entryvar w entvartrace
366
367	#
368	#
369	#
370	##############################################################################
371	##### #####################################################
372	##### PROCEDURES SECTION #####################################################
373	##### #####################################################
374	##############################################################################
375	# reset routine is used for debugging
376	proc reset {} {
377	global expgui script argv
378	set script $expgui(script)
379	set argv $expgui(expfile)
380	# remove traces
381	global entryvar
382	foreach cmd [trace vinfo entryvar] {
383	eval trace vdelete entryvar $cmd
384	}
385	global expgui
386	foreach cmd [trace vinfo expgui(backterms)] {
387	eval trace vdelete entryvar $cmd
388	}
389	foreach cmd [trace vinfo expgui(backtype)] {
390	eval trace vdelete entryvar $cmd
391	}
392	foreach a {
393	expmap expgui entryvar entrycmd
394	expgui_menulist expgui_cmdlist expgui_helplist
395	} {
396	global $a
397	catch {unset $a}
398	}
399	foreach w [winfo children .] {
400	destroy $w
401	}
402
403	uplevel #0 {source $script}
404	}
405
406	# save some of the global options in ~/.gsas_config
407	proc SaveOptions {} {
408	global expgui env tcl_platform
409	set fp [open [file join ~ .gsas_config] a]
410	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
411	puts $fp "set expgui($item) $expgui($item)"
412	}
413	if {$tcl_platform(platform) != "windows"} {
414	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
415	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
416	}
417	close $fp
418	}
419
420	proc About { } {
421	global expgui expmap
422	tk_dialog .about {About...} \
423	"EXPGUI\n\
424	Jonathan Wasserman and Brian Toby\n\
425	NIST Center for Neutron Research\n\n\
426	2000, Not subject to copyright\n\n\
427	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
428	Generalized Structure Analysis System (GSAS)\n\
429	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
430	" \
431	info 0 OK
432	}
433
434	# wait until idle
435	proc afterawhile {} {
436	# cancel any other instances of this loop
437	after cancel afterawhile
438	after cancel whenidle
439	after cancel whenidle
440	after idle whenidle
441	}
442
443	# This is called every 2 seconds to check for changes to the .EXP file
444	proc whenidle {} {
445	global expgui
446	if $expgui(titleunchanged) {
447	if {$expgui(changed) != 0} {
448	wm title . "$expgui(expfile) (modified)"
449	set expgui(titleunchanged) 0
450	}
451	}
452	if {$expgui(expModifiedLast) == 0} {
453	after 2000 afterawhile
454	return
455	}
456	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
457	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
458	if {$ans == 0} {
459	loadexp $expgui(expfile)
460	} elseif {$ans == 1} {
461	# reset the time to the next version
462	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
463	} elseif {$ans == 2} {
464	savearchiveexp
465	}
466	}
467	after 2000 afterawhile
468	}
469
470	# place a message about changes over the main window
471	proc ReloadExpMsg {file changes} {
472	global expgui tcl_platform
473	set msg "File $file has been modified by another program"
474	if {$changes == 1} {
475	append msg " and you have made a change to this version.\n"
476	} elseif {$changes > 0} {
477	append msg " and you have made $changes changes to this version.\n"
478	} else {
479	append msg ".\n"
480	}
481	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
482
483	set w .ask
484	catch {destroy $w}
485	toplevel $w -class Dialog
486	wm title $w "Reload?"
487	wm iconname $w "Reload?"
488	wm protocol $w WM_DELETE_WINDOW { }
489	wm transient $w .
490	frame $w.bot
491	pack $w.bot -side bottom
492	frame $w.top
493	pack $w.top -side top -fill both -expand 1
494	label $w.top.msg -justify left \
495	-wraplength 5i -font {Times 18} \
496	-text $msg
497	if {$tcl_platform(platform) == "windows"} {
498	$w.top.msg config -font {Times 14}
499	}
500	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
501	pack [button $w.bot.1 -text "Load new" \
502	-default active -command "set expgui(dialogbutton) 0" \
503	] -side left -expand 1 -padx 3m -pady 2m
504	pack [button $w.bot.2 -text "Continue with old" \
505	-command "set expgui(dialogbutton) 1"] \
506	-side left -expand 1 -padx 3m -pady 2m
507	if {$changes > 0} {
508	pack [button $w.bot.3 -text "Save edited version" \
509	-command "set expgui(dialogbutton) 2"] \
510	-side left -expand 1 -padx 3m -pady 2m
511	}
512	# Create a binding for <Return> on the dialog
513	bind $w <Return> "tkButtonInvoke $w.bot.1"
514	wm withdraw $w
515	update idletasks
516
517	# for windows put the box in the upper left, for
518	# unix center it over the parent (in unix it appears later)
519	#if {$tcl_platform(platform) == "windows"} {
520	#wm geom $w +0+0
521	#} else {
522
523	# for now, always center the message over the main window
524	# center the new window in the middle of the parent
525	set x [expr [winfo x .] + [winfo width .]/2 - \
526	[winfo reqwidth $w]/2 - [winfo vrootx .]]
527	set y [expr [winfo y .] + [winfo height .]/2 - \
528	[winfo reqheight $w]/2 - [winfo vrooty .]]
529	wm geom $w +$x+$y
530	#}
531	wm deiconify $w
532
533	# Grab the focus
534	set oldFocus [focus]
535	set oldGrab [grab current $w]
536	if {[string compare $oldGrab ""]} {
537	set grabStatus [grab status $oldGrab]
538	}
539	grab $w
540	focus $w.bot.1
541	# for windows rearrange window stacking
542	if {$tcl_platform(platform) == "windows"} {
543	lower .
544	raise $w .
545	}
546	update idletasks
547
548	tkwait variable expgui(dialogbutton)
549	catch {focus $oldFocus}
550	destroy $w
551	if {[string compare $oldGrab ""]} {
552	if {![string compare $grabStatus "global"]} {
553	grab -global $oldGrab
554	} else {
555	grab $oldGrab
556	}
557	}
558	raise .
559	return $expgui(dialogbutton)
560	}
561
562	# -------- called to confirm before exiting
563	proc catchQuit {} {
564	if {[confirmBeforeSave] == "Continue"} {
565	destroy .
566	}
567	}
568	# save the .EXP file before exiting?
569	proc confirmBeforeSave {} {
570	global expgui
571	if !$expgui(changed) {
572	return "Continue"
573	}
574	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
575	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
576	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
577	switch $decision {
578	0 { savearchiveexp; return "Continue" }
579	1 { return "Continue" }
580	2 { return "Cancel" }
581	}
582	}
583
584	proc archiveexp {} {
585	global expgui tcl_platform
586	# is there a file to archive
587	if {![file exists $expgui(expfile)]} return
588	catch {
589	set expnam [file rootname $expgui(expfile)]
590	if {$tcl_platform(platform) == "windows"} {
591	set version -1
592	catch {source $expnam.version}
593	incr version
594	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
595	# archive w/o pkzip
596	set file $expnam![format "%3.3d" $version].EXP
597	file copy -force $expnam.EXP $file
598	set fp [open $expnam.lst a]
599	puts $fp "\n--------------------------------------------------------------"
600	puts $fp "Archiving $expnam.EXP as $file"
601	puts $fp "--------------------------------------------------------------\n"
602	close $fp
603	} else {
604	# archive with PKZIP
605	# need to limit expnam to 8 characters
606	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
607	# PKZIP can't handle long dir names either
608	cd [set dir [file dirname $expnam]]
609	set file $sexp.[format "%3.3d" $version]
610	file copy -force $expnam.EXP $file
611	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
612	set fp [open $expnam.lst a]
613	puts $fp "\n--------------------------------------------------------------"
614	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
615	puts $fp "--------------------------------------------------------------\n"
616	close $fp
617	}
618	set fp [open $expnam.version w]
619	puts $fp "set version $version"
620	close $fp
621	} else {
622	set files [glob -nocomplain $expnam.EXP.*]
623	if {$files == ""} {
624	set file $expnam.EXP.000
625	} else {
626	set file [lindex [lsort -decreasing $files] 0]
627	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
628	incr number
629	set file $expnam.EXP.[format "%3.3d" $number]
630	}
631	file copy $expgui(expfile) $file
632	if [catch {exec gzip $file}] {
633	exec echo "\n----------------------------------------------" >> $expnam.LST
634	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
635	exec echo "----------------------------------------------\n" >> $expnam.LST
636	} else {
637	exec echo "\n----------------------------------------------" >> $expnam.LST
638	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
639	exec echo "----------------------------------------------\n" >> $expnam.LST
640	}
641	}
642	} errmsg
643	if {$errmsg != ""} {
644	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
645	}
646	}
647
648	# save and optionally archive the expfile
649	proc savearchiveexp {} {
650	global expgui expmap
651	if !$expgui(changed) return
652	if $expgui(archive) archiveexp
653	# add a history record
654	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
655	# now save the file
656	expwrite $expgui(expfile)
657	set expgui(changed) 0
658	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
659	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
660	wm title . $expgui(expfile)
661	set expgui(titleunchanged) 1
662	}
663
664	# setup buttons for each phase on the phase page
665	proc setphases {} {
666	global expgui expmap
667	eval destroy [winfo children $expgui(phaseFrame).top.ps]
668	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
669	foreach num $expmap(phaselist) type $expmap(phasetype) {
670	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
671	-command "SelectOnePhase $num" -padx 1.5m] -side left
672	if {$type > 3} {
673	$expgui(phaseFrame).top.ps.$num config -state disabled
674	}
675	}
676	if {[file executable $expgui(exptool)] && \
677	[llength $expmap(phaselist)]} {
678	pack [button $expgui(phaseFrame).top.ps.10 -text "Add Phase" \
679	-padx 1.5m -command MakeAddPhaseBox] -side left
680	}
681	}
682
683	# Procedure to respond to changes the phase.
684	# This loads the "phases" widgets with data corresponding to the selected phase.
685	proc SelectOnePhase {num} {
686	global entryvar entrycmd expmap expgui
687	set crsPhase {}
688	$expgui(atomxform) config -text "Xform Atoms" -state disabled
689	foreach n $expmap(phaselist) type $expmap(phasetype) {
690	if {$n == $num && $type <= 3} {
691	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
692	set crsPhase $num
693	if {$type == 3} {
694	set expgui(phasetype) "Magnetic\nOnly"
695	} elseif {$type == 2} {
696	set expgui(phasetype) "Magnetic\n& Nuclear"
697	} elseif {$type == 4} {
698	# this is not used at present
699	set expgui(phasetype) "Macromolecular"
700	} else {
701	set expgui(phasetype) ""
702	}
703	} else {
704	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
705	}
706	}
707	# no phase is selected
708	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
709	# disable traces on entryvar
710	set entrycmd(trace) 0
711	set entrycmd(phasename) ""
712	set entryvar(phasename) ""
713	foreach ent {a b c alpha beta gamma cellref celldamp} {
714	set entrycmd($ent) ""
715	set entryvar($ent) ""
716	}
717	set expgui(curPhase) {}
718	# enable traces on entryvar
719	set entrycmd(trace) 1
720	$expgui(EditingAtoms) config -text ""
721	DisplayAtom 0 0
722	DisplayU 0 0
723	DisplayRefFlags 0 0
724	$expgui(atomlistbox) delete 0 end
725	return
726	}
727
728	set expgui(curPhase) $crsPhase
729	# we have a phase
730
731	# disable traces on entryvar for right now
732	set entrycmd(trace) 0
733
734	##########################################################
735	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
736	##########################################################
737	# phase title
738	set entrycmd(phasename) "phaseinfo $crsPhase name"
739	set entryvar(phasename) [phaseinfo $crsPhase name]
740	# cell parameters & flags
741	foreach ent {a b c alpha beta gamma cellref celldamp} {
742	set entrycmd($ent) "phaseinfo $crsPhase $ent"
743	set entryvar($ent) [phaseinfo $crsPhase $ent]
744	}
745
746	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
747	# initialize to diasbled
748	DisplayAtom 0 0
749	DisplayU 0 0
750	DisplayRefFlags 0 0
751	$expgui(EditingAtoms) config -text ""
752
753	DisplayAllAtoms
754
755	# enable traces on entryvar now
756	set entrycmd(trace) 1
757	}
758
759	set expgui(noreenterDisplayAllAtoms) 0
760	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
761	proc DisplayAllAtoms {"mode reset"} {
762	global entryvar entrycmd expmap expgui
763	# if it does not show, dont bother
764	if {$expgui(pagenow) != "phaseFrame"} return
765	if {$expgui(curPhase) == ""} return
766	if $expgui(noreenterDisplayAllAtoms) return
767
768	set expgui(noreenterDisplayAllAtoms) 1
769	if {$mode != "reset"} {
770	# save the scrolled position
771	set pos [lindex [$expgui(atomlistbox) yview] 0]
772	} else {
773	# this is a reset -- clear the selected atoms list
774	set expgui(selectedatomlist) {}
775	}
776	$expgui(atomlistbox) delete 0 end
777	# loop over atoms
778	set maxline I
779	set phase $expgui(curPhase)
780	set atomlist {}
781	set typehead "type "
782	set namehead " name "
783	set multhead "Mult"
784	set coordhead " "
785	set frachead "Occupancy"
786	if {$expgui(asorttype) == "type"} {
787	# sort on atom type
788	set typehead "type* "
789	foreach atom $expmap(atomlist_$phase) {
790	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
791	}
792	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
793	} elseif {$expgui(asorttype) == "number"} {
794	# sort on atom number
795	set namehead "* name "
796	foreach atom $expmap(atomlist_$phase) {
797	lappend atomlist "$atom $atom $phase"
798	}
799	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
800	} elseif {$expgui(asorttype) == "mult"} {
801	# sort on atom number
802	set multhead "Mlt*"
803	foreach atom $expmap(atomlist_$phase) {
804	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
805	}
806	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
807	} elseif {$expgui(asorttype) == "occupancy"} {
808	# sort on atom number
809	set frachead " Occup* "
810	foreach atom $expmap(atomlist_$phase) {
811	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
812	}
813	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
814	} elseif {$expgui(asorttype) == "x"} {
815	# sort on x
816	set coordhead "(x*)"
817	foreach atom $expmap(atomlist_$phase) {
818	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
819	}
820	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
821	} elseif {$expgui(asorttype) == "y"} {
822	# sort on y
823	set coordhead "(y*)"
824	foreach atom $expmap(atomlist_$phase) {
825	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
826	}
827	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
828	} elseif {$expgui(asorttype) == "z"} {
829	# sort on z
830	set coordhead "(z*)"
831	foreach atom $expmap(atomlist_$phase) {
832	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
833	}
834	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
835	} else {
836	error "Bad expgui(asorttype) = $expgui(asorttype)"
837	}
838
839	foreach tuple $expmap(atomlistboxcontents) {
840	set atom [lindex $tuple 0]
841	set phase [lindex $tuple 2]
842	set refflag {}
843	foreach type {x u f} {
844	if {[atominfo $phase $atom ${type}ref]} {
845	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
846	} else {
847	append refflag " [atominfo $phase $atom ${type}damp] "
848	}
849	}
850	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
851	$atom \
852	[atominfo $phase $atom label] \
853	[atominfo $phase $atom type] \
854	$refflag \
855	[atominfo $phase $atom x] \
856	[atominfo $phase $atom y] \
857	[atominfo $phase $atom z] \
858	[atominfo $phase $atom mult] \
859	[atominfo $phase $atom frac]
860	]
861
862	# add temperature factors (iso/anoiso)
863	if {[atominfo $phase $atom temptype] == "A"} {
864	set maxline A
865	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
866	[atominfo $phase $atom U11] \
867	[atominfo $phase $atom U22] \
868	[atominfo $phase $atom U33] \
869	[atominfo $phase $atom U12] \
870	[atominfo $phase $atom U23] \
871	[atominfo $phase $atom U13]
872	]
873	} else {
874	append line [format " %9.5f" \
875	[atominfo $phase $atom Uiso]
876	]
877	}
878	$expgui(atomlistbox) insert end $line
879	}
880	$expgui(atomtitle) delete 0 end
881	if {$maxline == "A"} {
882	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
883	$namehead $typehead "ref/damp " \
884	"fractional coordinates$coordhead" \
885	"$multhead $frachead" \
886	" Uiso/Uij "]
887	} else {
888	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
889	$namehead $typehead "ref/damp " \
890	"fractional coordinates$coordhead" \
891	"$multhead $frachead" \
892	" Uiso"]
893	}
894	if {$mode != "reset"} {
895	# restore the selected items
896	foreach i $expgui(selectedatomlist) {
897	$expgui(atomlistbox) selection set $i
898	}
899	# restore the last scrolled position
900	$expgui(atomlistbox) yview moveto $pos
901	}
902	set expgui(noreenterDisplayAllAtoms) 0
903	}
904
905	# Procedure to select all atoms in response to a right-click
906	proc SelectAllAtoms {} {
907	global expgui
908	$expgui(atomlistbox) selection set 0 end
909	# call editRecord in case trace was called before the selection was made
910	editRecord
911	}
912
913	# Procedure to respond to left mouse release in the atoms Pane
914	proc editRecord { args } {
915	global entrycmd expgui
916	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
917	# disable traces on entryvar for right now
918	set entrycmd(trace) 0
919
920	if {[llength $expgui(selectedatomlist)] == 0} {
921	if $expgui(debug) {error "Attempt display non-existent atoms"}
922	} elseif {[llength $expgui(selectedatomlist)] == 1} {
923	editOneRecord $expgui(selectedatomlist)
924	} else {
925	editMultipleRecords $expgui(selectedatomlist)
926	}
927	# reenable traces on entryvar
928	set entrycmd(trace) 1
929	# repaint the atoms box in case anything was changed
930	# DisplayAllAtoms noreset
931	}
932
933	proc editOneRecord { AtomIndex } {
934	global expmap expgui
935	# get atom number & phase
936	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
937	set atomnum [lindex $tuple 0]
938	set p [lindex $tuple 2]
939	DisplayU $atomnum $p
940	DisplayAtom $atomnum $p
941	DisplayRefFlags $atomnum $p
942	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
943	$expgui(atomxform) config -text "Xform Atom" -state normal
944	}
945
946	# this will not work for a multi-phase list of atoms (yet)
947	proc editMultipleRecords { AtomIndexList } {
948	global expmap expgui
949	set numberList {}
950	# current phase
951	set p $expgui(curPhase)
952	foreach AtomIndex $AtomIndexList {
953	# get atom number & phase
954	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
955	lappend numberList [lindex $tuple 0]
956	# set p [lindex $tuple 2]
957	}
958	# this needs to track by phase
959	$expgui(EditingAtoms) config -text \
960	"Set refinement options: atoms [CompressList $numberList]"
961	DisplayU 0 0
962	DisplayAtom 0 0
963	# this needs to track by phase
964	DisplayRefFlags $numberList $p
965	$expgui(atomxform) config -text "Xform Atoms" -state normal
966	}
967
968	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
969	# becomes "1-4,6,7,13-15,19"
970	proc CompressList {numberList} {
971	# format the number list to save space
972	set lastnum -99
973	set flist {}
974	set count 0
975	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
976	foreach num $sortlist {
977	set next [expr $lastnum+1]
978	if {$num != $next} {
979	if {$count == 0 && $flist != ""} {
980	append flist ",$num"
981	} elseif {$count == 1 && $flist != ""} {
982	append flist ",$lastnum,$num"
983	} elseif {$flist != ""} {
984	append flist "-$lastnum,$num"
985	} else {
986	append flist "$num"
987	}
988	set lastnum $num
989	set count 0
990	} else {
991	incr count
992	incr lastnum
993	}
994	}
995	if {$count == 1 && $flist != ""} {
996	append flist ",$lastnum"
997	} elseif {$flist != "" && $count > 1} {
998	append flist "-$lastnum"
999	}
1000	return $flist
1001	}
1002
1003	# Procedure to display Isotropic or Anisotropic temperature factors
1004	# Changes the display to one entry widget for Isotropic motion OR
1005	# 6 entry widgets for Anisotropic motion in Frame3.
1006	# or disables the widet entirly if atom = 0
1007	proc DisplayU { atomnum p} {
1008	global expgui entryvar entrycmd
1009	if {$atomnum == 0} {
1010	set iOrA disable
1011	} else {
1012	set iOrA [atominfo $p $atomnum temptype]
1013	}
1014
1015	set firstbox [lindex $expgui(anisolabels) 0]
1016	if { $iOrA == "A" } {
1017	$firstbox config -text "U11 "
1018	foreach item $expgui(anisolabels) {
1019	$item config -fg black
1020	}
1021	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1022	set entrycmd($var) "atominfo $p $atomnum $var"
1023	set entryvar($var) [eval $entrycmd($var)]
1024	$item config -fg black -state normal -bg white
1025	}
1026	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1027	foreach item $expgui(anisolabels) {
1028	# $item config -fg grey
1029	$item config -fg beige
1030	}
1031	foreach item [lrange $expgui(anisoentry) 1 end] \
1032	var {U22 U33 U12 U13 U23} {
1033	set entrycmd($var) ""
1034	set entryvar($var) ""
1035	$item config -fg beige -bg beige -state disabled
1036	}
1037	if { $iOrA == "disable"} {
1038	set entrycmd($var) ""
1039	set entryvar($var) ""
1040	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1041	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1042	} else {
1043	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1044	set entryvar(U11) [eval $entrycmd(U11)]
1045	$firstbox config -text Uiso -fg black
1046	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1047	}
1048	}
1049	}
1050
1051	# need to think about multiple phases
1052
1053	# Procedure to display refinement flags
1054	proc DisplayRefFlags { atomnum p} {
1055	global expgui entryvar entrycmd
1056	if {$atomnum == 0} {
1057	foreach label $expgui(atomreflbl) {
1058	$label config -fg beige
1059	}
1060	foreach entry $expgui(atomref) {
1061	$entry config -state disabled -fg beige -bg beige
1062	}
1063	return
1064	}
1065	foreach label $expgui(atomreflbl) {
1066	$label config -fg black
1067	}
1068	foreach entry $expgui(atomref) {
1069	$entry config -state normal -fg black -bg beige
1070	}
1071	foreach var {xref uref fref xdamp udamp fdamp} {
1072	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1073	set entryvar($var) [eval $entrycmd($var)]
1074	}
1075	}
1076
1077	# Procedure to display an atom in the atom edit boxes
1078	proc DisplayAtom { atomnum p} {
1079	global expgui entryvar entrycmd
1080	if {$atomnum == 0} {
1081	foreach label $expgui(atomlabels) {
1082	$label config -fg beige
1083	}
1084	foreach entry $expgui(atomentry) {
1085	$entry config -state disabled -fg beige -bg beige
1086	}
1087	return
1088	}
1089	foreach label $expgui(atomlabels) {
1090	$label config -fg black
1091	}
1092	foreach entry $expgui(atomentry) {
1093	$entry config -state normal -fg black -bg white
1094	}
1095	foreach var {x y z label frac } {
1096	set entrycmd($var) "atominfo $p $atomnum $var"
1097	set entryvar($var) [eval $entrycmd($var)]
1098	}
1099	}
1100
1101	# make a histogram box; used in MakeHistPane,
1102	proc MakeHistBox {frm} {
1103	global expgui
1104	grid [label $frm.mode -text "Select a Histogram" \
1105	-bg beige -anchor center] \
1106	-row 0 -column 0 -columnspan 2 -sticky ew
1107	bind $frm.mode <Button-1> {
1108	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1109	set expgui(globalmode) [lindex \
1110	"$expgui(AllowedHistSelectModes) \
1111	$expgui(AllowedHistSelectModes)" [incr i]]
1112	sethistlist
1113	}
1114	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1115	grid [listbox $frm.title -height 1 -relief flat \
1116	-exportselection 0 \
1117	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1118	grid [listbox $frm.lbox -height 10 -width 25 \
1119	-exportselection 0 \
1120	-font $expgui(histfont) \
1121	-xscrollcommand "$frm.x set" \
1122	-yscrollcommand "$frm.y set" \
1123	] -row 2 -column 0 -sticky news
1124	lappend expgui(HistSelectList) $frm
1125	grid [scrollbar $frm.x -orient horizontal \
1126	-command "move2boxes \" $frm.title $frm.lbox \" "
1127	] -row 3 -column 0 -sticky ew
1128	grid [scrollbar $frm.y \
1129	-command "$frm.lbox yview"] \
1130	-row 2 -column 1 -sticky ns
1131	grid columnconfigure $frm 0 -weight 1
1132	grid rowconfigure $frm 2 -weight 1
1133	}
1134
1135	# update the histogram list
1136	# to do: show histogram ref flags?
1137	proc sethistlist {} {
1138	global expgui expmap
1139	array set lbl {
1140	1 "Select 1 or more\nTOF Histograms"
1141	2 "Select 1 or more\nCW Neutron Histograms"
1142	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1143	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1144	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1145	6 "Select 1 or more of\n any type Histograms"
1146	}
1147	foreach lbox $expgui(HistSelectList) {
1148	$lbox.title delete 0 end
1149	$lbox.lbox delete 0 end
1150	if {$expgui(globalmode) != 0} {
1151	$lbox.lbox config -selectmode extended
1152	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1153	} else {
1154	$lbox.lbox config -selectmode browse
1155	$lbox.mode config -text "Select a histogram" -bg beige
1156	}
1157	}
1158	# disable the unallowed pages in all mode
1159	if {$expgui(globalmode) == 6} {
1160	foreach pair $expgui(GlobalModeAllDisable) {
1161	if {$expgui(pagenow) == [lindex $pair 0]} {
1162	RaisePage lsFrame
1163	}
1164	eval [lindex $pair 1] -state disabled
1165	}
1166	} else {
1167	foreach pair $expgui(GlobalModeAllDisable) {
1168	eval [lindex $pair 1] -state normal
1169	}
1170	}
1171	set histlist {}
1172	if {$expgui(hsorttype) == "type"} {
1173	# sort on histogram type
1174	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1175	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1176	}
1177	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1178	} elseif {$expgui(hsorttype) == "number"} {
1179	# sort on histogram number
1180	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1181	lappend histlist "$h $h"
1182	}
1183	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1184	} elseif {$expgui(hsorttype) == "bank"} {
1185	# sort on original bank number
1186	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1187	lappend histlist "$h [histinfo $h bank]"
1188	}
1189	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1190	} elseif {$expgui(hsorttype) == "angle"} {
1191	# sort on wavelength (CW) or angle (E disp.)
1192	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1193	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1194	set det [format %8.2f [histinfo $h tofangle]]
1195	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1196	set det [format %8.5f [histinfo $h lam1]]
1197	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1198	set det [format %8.2f [histinfo $h lam1]]
1199	} else {
1200	set det {}
1201	}
1202	lappend histlist "$h $det"
1203	}
1204	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1205	}
1206
1207	# title field needs to match longest title
1208	foreach lbox $expgui(HistSelectList) {
1209	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1210	"h#" \
1211	type \
1212	bank \
1213	"ang/wave" \
1214	" title" \
1215	]
1216	}
1217	foreach tuple $expmap(histlistboxcontents) {
1218	set h [lindex $tuple 0]
1219
1220	if {$expgui(globalmode) == 1} {
1221	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1222	} elseif {$expgui(globalmode) == 2} {
1223	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1224	} elseif {$expgui(globalmode) == 3} {
1225	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1226	[histinfo $h lam2] == 0.0} continue
1227	} elseif {$expgui(globalmode) == 4} {
1228	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1229	[histinfo $h lam2] != 0.0} continue
1230	} elseif {$expgui(globalmode) == 5} {
1231	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1232	}
1233
1234	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1235	set det [format %8.2f [histinfo $h tofangle]]
1236	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1237	set det [format %8.5f [histinfo $h lam1]]
1238	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1239	set det [format %8.2f [histinfo $h lam1]]
1240	} else {
1241	set det {}
1242	}
1243	foreach lbox $expgui(HistSelectList) {
1244	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1245	$h \
1246	[string range $expmap(htype_$h) 1 2] \
1247	[histinfo $h bank] \
1248	$det \
1249	[string range [histinfo $h title] 0 66] \
1250	]
1251	}
1252	}
1253	UpdateCurrentPage
1254	}
1255
1256	proc UpdateCurrentPage {} {
1257	global expgui
1258	foreach set $expgui(frameactionlist) {
1259	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1260	}
1261	}
1262
1263	#-----------------------------------------------------------------------
1264	# ----------- draw Histogram page
1265	#-----------------------------------------------------------------------
1266	proc DisplayHistogram {} {
1267	global expgui entrycmd entryvar expmap
1268
1269	# trap if more than one histogram is selected unless global mode
1270	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1271	set expgui(curhist) [lindex $expgui(curhist) 0]
1272	}
1273
1274	# display the selected histograms
1275	$expgui(histFrame).hs.lbox selection clear 0 end
1276	foreach h $expgui(curhist) {
1277	$expgui(histFrame).hs.lbox selection set $h
1278	}
1279
1280	# disable traces on entryvar for right now
1281	set entrycmd(trace) 0
1282
1283	# get histogram list
1284	set histlist {}
1285	foreach item $expgui(curhist) {
1286	lappend histlist [lindex $expmap(powderlist) $item]
1287	}
1288	# must have at least one histogram selected here
1289	if {[llength $histlist] == 0} {
1290	set expgui(backtermlbl) ""
1291	set expgui(backtypelbl) ""
1292	foreach var {bref bdamp} {
1293	set entrycmd($var) ""
1294	set entryvar($var) ""
1295	}
1296	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1297	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1298	set expgui(bkglbl) ""
1299	eval destroy [winfo children $expgui(diffBox)]
1300	set entrycmd(trace) 1
1301	return
1302	}
1303
1304	if {$expgui(globalmode) != 0} {
1305	set expgui(backtermlbl) ""
1306	set expgui(backtypelbl) ""
1307	foreach var {bref bdamp} {
1308	set entrycmd($var) "histinfo [list $histlist] $var"
1309	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1310	}
1311	} else {
1312	set hist $histlist
1313	set terms [histinfo $hist backterms]
1314	set expgui(backtermlbl) "($terms terms)"
1315	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1316	foreach var {bref bdamp} {
1317	set entrycmd($var) "histinfo $hist $var"
1318	set entryvar($var) [eval $entrycmd($var)]
1319	}
1320	}
1321	# Top box
1322	if {$expgui(globalmode) != 0} {
1323	if $expgui(haveBW) {
1324	catch {destroy $expgui(histFrame).pflag}
1325	}
1326	$expgui(histFrame).top.txt config \
1327	-text "Selected Histograms: [CompressList $histlist]"
1328	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1329	set expgui(bkglbl) "Globally Edit Background"
1330	} else {
1331	grid forget $expgui(histFrame).top
1332	set expgui(bkglbl) "Edit Background"
1333	if $expgui(haveBW) {
1334	catch {destroy $expgui(histFrame).pflag}
1335	TitleFrame $expgui(histFrame).pflag \
1336	-borderwidth 4 -side left -relief groove \
1337	-text "Phase Flags"
1338	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1339	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1340	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1341	foreach p $expmap(phaselist) {
1342	pack [checkbutton $expgui(pflag).$p \
1343	-command "GetPhaseFlags $hist" \
1344	-variable expgui(pflag$p) -text $p] -side left
1345	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1346	set expgui(pflag$p) 0
1347	} else {
1348	set expgui(pflag$p) 1
1349	}
1350	}
1351	}
1352	}
1353
1354	# diffractometer constants
1355	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1356	wref pref dcref daref ratref ttref zref } {
1357	set entrycmd($var) "histinfo [list $histlist] $var"
1358	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1359	}
1360
1361	eval destroy [winfo children $expgui(diffBox)]
1362	if {$expgui(globalmode) == 0} {
1363	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1364	#------
1365	# TOF \|
1366	#------
1367	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1368	-column 1 -row 1
1369	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1370	-column 2 -row 1
1371	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1372	-column 3 -row 1 -sticky w
1373	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1374	-width 15 ] -column 4 -row 1
1375	#
1376	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1377	-column 1 -row 2
1378	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1379	-column 2 -row 2
1380	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1381	-column 3 -row 2
1382	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1383	-width 15 ] -column 4 -row 2
1384	#
1385	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1386	-column 3 -row 3
1387	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1388	-width 15 ] -column 4 -row 3
1389	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1390	-column 1 -row 3 -sticky w
1391	grid [ checkbutton $expgui(diffBox).rfDCzref \
1392	-variable entryvar(zref) ] -column 2 -row 3
1393	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1394	#---------------
1395	# CW - neutron \|
1396	#---------------
1397	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1398	-column 1 -row 1
1399	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1400	-column 2 -row 1
1401	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1402	-column 3 -row 1 -sticky w
1403	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1404	-width 15 ] -column 4 -row 1
1405	#
1406	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1407	-column 1 -row 3 -sticky w
1408	grid [ checkbutton $expgui(diffBox).rfDCzref \
1409	-variable entryvar(zref) ] -column 2 -row 3
1410	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1411	-column 3 -row 3
1412	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1413	-width 15 ] -column 4 -row 3
1414	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1415	[histinfo $hist lam2] == 0.0} {
1416	#--------------------------
1417	# CW - x-ray 1 wavelength \|
1418	#--------------------------
1419	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1420	-column 1 -row 1
1421	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1422	-column 2 -row 1
1423	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1424	-column 3 -row 1 -sticky w
1425	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1426	-width 15 ] -column 4 -row 1
1427	#
1428	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1429	-column 1 -row 3 -sticky w
1430	grid [ checkbutton $expgui(diffBox).rfDCzref \
1431	-variable entryvar(zref) ] -column 2 -row 3
1432	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1433	-column 3 -row 3
1434	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1435	-width 15 ] -column 4 -row 3
1436	#
1437	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1438	-column 1 -row 4 -sticky w
1439	grid [ checkbutton $expgui(diffBox).rfDCpref \
1440	-variable entryvar(pref) ] -column 2 -row 4
1441	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1442	-column 3 -row 4
1443	grid [ entry $expgui(diffBox).eDCpola \
1444	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1445	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1446	-column 5 -row 4
1447	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1448	-textvariable entryvar(ipola)] -column 6 -row 4
1449	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1450	#---------------------------
1451	# CW - x-ray 2 wavelengths \|
1452	#---------------------------
1453	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1454	-column 3 -row 1 -sticky w
1455	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1456	-width 15 ] -column 4 -row 1
1457	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1458	-width 15 ] -column 5 -row 1
1459	#
1460	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1461	-column 1 -row 2 -sticky w
1462	grid [ checkbutton $expgui(diffBox).rfDCrref \
1463	-variable entryvar(ratref) ] -column 2 -row 2
1464	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1465	-column 3 -row 2
1466	grid [ entry $expgui(diffBox).eDCkratio \
1467	-textvariable entryvar(kratio) \
1468	-width 15 ] -column 4 -row 2
1469	#
1470	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1471	-column 3 -row 3
1472	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1473	-width 15 ] -column 4 -row 3
1474	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1475	-column 1 -row 3 -sticky w
1476	grid [ checkbutton $expgui(diffBox).rfDCzref \
1477	-variable entryvar(zref) ] -column 2 -row 3
1478	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1479	-column 1 -row 4 -sticky w
1480	grid [ checkbutton $expgui(diffBox).rfDCpref \
1481	-variable entryvar(pref) ] -column 2 -row 4
1482	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1483	-column 3 -row 4
1484	grid [ entry $expgui(diffBox).eDCpola \
1485	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1486	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1487	-column 5 -row 4
1488	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1489	-textvariable entryvar(ipola)] -column 6 -row 4
1490	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1491	#-------------
1492	# ED - x-ray \|
1493	#-------------
1494	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1495	-column 1 -row 1
1496	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1497	-column 2 -row 1
1498	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1499	-column 3 -row 1 -sticky w
1500	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1501	-width 15 ] -column 4 -row 1
1502	#
1503	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1504	-column 1 -row 4 -sticky w
1505	grid [ checkbutton $expgui(diffBox).rfDCpref \
1506	-variable entryvar(pref) ] -column 2 -row 4
1507	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1508	-column 3 -row 4
1509	grid [ entry $expgui(diffBox).eDCpola \
1510	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1511	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1512	-column 5 -row 4
1513	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1514	-textvariable entryvar(ipola)] -column 6 -row 4
1515	}
1516	} elseif {$expgui(globalmode) == 1} {
1517	#-------------
1518	# Global TOF \|
1519	#-------------
1520	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1521	-column 1 -row 1
1522	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1523	-column 2 -row 1
1524	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1525	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1526	#
1527	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1528	-column 1 -row 2
1529	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1530	-column 2 -row 2
1531	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1532	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1533	#
1534	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1535	-column 1 -row 3 -sticky w
1536	grid [ checkbutton $expgui(diffBox).rfDCzref \
1537	-variable entryvar(zref) ] -column 2 -row 3
1538	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1539	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1540	} elseif {$expgui(globalmode) == 2} {
1541	#--------------------
1542	# Global CW neutron \|
1543	#--------------------
1544	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1545	-column 1 -row 1
1546	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1547	-column 2 -row 1
1548	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1549	-command "editglobalparm histinfo lam1 Wavelength"] \
1550	-column 3 -row 1
1551	#
1552	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1553	-column 1 -row 3 -sticky w
1554	grid [ checkbutton $expgui(diffBox).rfDCzref \
1555	-variable entryvar(zref) ] -column 2 -row 3
1556	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1557	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1558	} elseif {$expgui(globalmode) == 4} {
1559	#----------------------
1560	# Global CW mono xray \|
1561	#----------------------
1562	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1563	-column 1 -row 1
1564	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1565	-column 2 -row 1
1566	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1567	-command "editglobalparm histinfo lam1 Wavelength"] \
1568	-column 3 -row 1
1569	#
1570	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1571	-column 1 -row 3 -sticky w
1572	grid [ checkbutton $expgui(diffBox).rfDCzref \
1573	-variable entryvar(zref) ] -column 2 -row 3
1574	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1575	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1576	#
1577	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1578	-column 1 -row 4 -sticky w
1579	grid [ checkbutton $expgui(diffBox).rfDCpref \
1580	-variable entryvar(pref) ] -column 2 -row 4
1581	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1582	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1583	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1584	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1585	} elseif {$expgui(globalmode) == 3} {
1586	#------------------------
1587	# Global alpha 1,2 xray \|
1588	#------------------------
1589	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1590	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1591	-column 3 -row 1
1592	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1593	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1594	-column 4 -row 1
1595	#
1596	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1597	-column 1 -row 3 -sticky w
1598	grid [ checkbutton $expgui(diffBox).rfDCratref \
1599	-variable entryvar(ratref) ] -column 2 -row 3
1600	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1601	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1602	-column 3 -row 3
1603	#
1604	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1605	-column 1 -row 3 -sticky w
1606	grid [ checkbutton $expgui(diffBox).rfDCzref \
1607	-variable entryvar(zref) ] -column 2 -row 3
1608	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1609	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1610	#
1611	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1612	-column 1 -row 4 -sticky w
1613	grid [ checkbutton $expgui(diffBox).rfDCpref \
1614	-variable entryvar(pref) ] -column 2 -row 4
1615	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1616	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1617	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1618	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1619	} elseif {$expgui(globalmode) == 5} {
1620	#-----------------
1621	# Global ED xray \|
1622	#-----------------
1623	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1624	-column 1 -row 1
1625	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1626	-column 2 -row 1
1627	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1628	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1629	-column 3 -row 1
1630	#
1631	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1632	-column 1 -row 4 -sticky w
1633	grid [ checkbutton $expgui(diffBox).rfDCpref \
1634	-variable entryvar(pref) ] -column 2 -row 4
1635	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1636	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1637	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1638	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1639	}
1640	if {$expgui(globalmode) == 0} {
1641	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1642	-columnspan 2 -sticky e
1643	} else {
1644	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1645	-columnspan 2 -sticky e
1646	}
1647	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1648	-column 1 -row 1
1649	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1650	grid $expgui(diffBox).d.om -column 2 -row 1
1651	grid columnconfigure $expgui(diffBox) 9 -weight 1
1652	grid columnconfigure $expgui(diffBox) 0 -weight 1
1653	update idletasks
1654	# enable traces on entryvar now
1655	set entrycmd(trace) 1
1656	}
1657
1658	# this gets the phase flags as set in the expgui(pflag*) elements
1659	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1660	# accordingly using SetPhaseFlag
1661	proc GetPhaseFlags {hist} {
1662	global expmap expgui
1663	set plist {}
1664	foreach p $expmap(phaselist) {
1665	if {$expgui(pflag$p)} {lappend plist $p}
1666	}
1667	SetPhaseFlag $hist $plist
1668	incr expgui(changed)
1669	mapexp
1670	}
1671
1672	#-----------------------------------------------------------------------
1673	# populate the Scaling page
1674	#-----------------------------------------------------------------------
1675	proc DisplayFrac {} {
1676	global expgui entrycmd entryvar expmap
1677
1678	# trap if more than one histogram is selected unless global mode
1679	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1680	set expgui(curhist) [lindex $expgui(curhist) 0]
1681	}
1682
1683	# display the selected histograms
1684	$expgui(fracFrame).hs.lbox selection clear 0 end
1685	foreach h $expgui(curhist) {
1686	$expgui(fracFrame).hs.lbox selection set $h
1687	}
1688
1689	# disable traces on entryvar
1690	set entrycmd(trace) 0
1691
1692	# get histogram list
1693	set histlist {}
1694	foreach item $expgui(curhist) {
1695	lappend histlist [lindex $expmap(powderlist) $item]
1696	}
1697
1698	# must have at least one histogram selected here
1699	if {[llength $histlist] == 0} {
1700	foreach var {scale sref sdamp} {
1701	set entrycmd($var) ""
1702	set entryvar($var) ""
1703	}
1704	set parm [grid info $expgui(scaleBox).but1]
1705	if {$parm != ""} {
1706	grid forget $expgui(scaleBox).but1
1707	eval grid $expgui(scaleBox).ent1 $parm
1708	}
1709	# destroy the contents of the frame
1710	set phaseFractf1 $expgui(FracBox).f
1711	eval destroy [winfo children $phaseFractf1]
1712	# reenable traces on entryvar
1713	set entrycmd(trace) 1
1714	return
1715	}
1716
1717	#--------------
1718	# Scale factor
1719	#--------------
1720	if {$expgui(globalmode) != 0} {
1721	foreach var {scale sref sdamp} {
1722	set entrycmd($var) "histinfo [list $histlist] $var"
1723	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1724	}
1725	set parm [grid info $expgui(scaleBox).ent1]
1726	if {$parm != ""} {
1727	grid forget $expgui(scaleBox).ent1
1728	eval grid $expgui(scaleBox).but1 $parm
1729	}
1730	} else {
1731	set hist $histlist
1732	foreach var {scale sref sdamp} {
1733	set entrycmd($var) "histinfo $hist $var"
1734	set entryvar($var) [eval $entrycmd($var)]
1735	}
1736	set parm [grid info $expgui(scaleBox).but1]
1737	if {$parm != ""} {
1738	grid forget $expgui(scaleBox).but1
1739	eval grid $expgui(scaleBox).ent1 $parm
1740	}
1741	}
1742
1743	#----------------
1744	# Phase Fractions
1745	#----------------
1746	set phaseFractf1 $expgui(FracBox).f
1747	# destroy the contents of the frame
1748	eval destroy [winfo children $phaseFractf1]
1749	if {$expgui(globalmode) != 0} {
1750	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1751	} else {
1752	set txt "Phase Fractions"
1753	}
1754	if $expgui(haveBW) {
1755	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1756	} else {
1757	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1758	-column 0 -row 0 -sticky news
1759	}
1760	# Create the frame inside the canvas, One frame for each Phase.
1761	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1762	foreach hist $histlist {
1763	foreach i $expmap(phaselist_$hist) {
1764	lappend phasehistlist($i) $hist
1765	}
1766	}
1767	foreach i {1 2 3 4 5 6 7 8 9} {
1768	if {[llength $phasehistlist($i)] == 0} continue
1769	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1770	grid $framePF -column 0 -row $i -sticky ew
1771	# Label Heading for each phase.
1772	if {$expgui(globalmode) != 0} {
1773	grid [label $framePF.l1 \
1774	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1775	-column 0 -row 0 -sticky nws
1776	grid [button $framePF.but1 -text "Set Globally" \
1777	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1778	[list $phasehistlist($i)] $i" \
1779	] -column 1 -row 0
1780	} else {
1781	grid [label $framePF.l1 -text "Phase $i"] \
1782	-column 0 -row 0 -sticky nws
1783	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1784	-column 1 -row 0
1785	}
1786	set entrycmd(frac$i) "hapinfo $hist $i frac"
1787	set entryvar(frac$i) [hapinfo $hist $i frac]
1788	grid [label $framePF.l2 -text " Refine"] \
1789	-column 2 -row 0 -sticky nws
1790	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1791	-column 3 -row 0 -sticky nws
1792	set entrycmd(frref$i) "hapinfo $hist $i frref"
1793	set entryvar(frref$i) [hapinfo $hist $i frref]
1794	grid [label $framePF.l3 -text " Damping"] \
1795	-column 4 -row 0 -sticky nws
1796	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1797	0 1 2 3 4 5 6 7 8 9
1798	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1799	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1800	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1801	}
1802	# resize the scroll window to match the actual
1803	update idletasks
1804	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1805	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1806	update idletasks
1807	# enable traces on entryvar now
1808	set entrycmd(trace) 1
1809	}
1810
1811	#-----------------------------------------------------------------------
1812	# display the profile page
1813	#-----------------------------------------------------------------------
1814	proc DisplayProfile {} {
1815	global expgui entrycmd entryvar expmap
1816
1817	# trap if more than one histogram is selected unless global mode
1818	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1819	set expgui(curhist) [lindex $expgui(curhist) 0]
1820	}
1821	# display the selected histograms
1822	$expgui(profFrame).hs.lbox selection clear 0 end
1823	foreach h $expgui(curhist) {
1824	$expgui(profFrame).hs.lbox selection set $h
1825	}
1826
1827	# destroy the contents of the frame
1828	eval destroy [winfo children $expgui(ProfileBox).f]
1829
1830	if {$expgui(globalmode) == 0} {
1831	# must have at least one histogram selected here
1832	if {[llength $expgui(curhist)] == 0} return
1833	# disable traces on entryvar for right now
1834	set entrycmd(trace) 0
1835	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1836	# no defined histograms?
1837	if {$hist == ""} return
1838	# Create one frame for each Phase.
1839	set ind -1
1840	set htype [string range $expmap(htype_$hist) 2 2]
1841	foreach i $expmap(phaselist_$hist) {
1842	incr ind
1843	# Label Heading for each phase.
1844	set ptype [string trim [hapinfo $hist $i proftype]]
1845	if {$expgui(haveBW)} {
1846	grid [TitleFrame $expgui(ProfileBox).f.$i \
1847	-text "Hist $hist -- Phase $i (type $ptype)" \
1848	-relief groove -bd 2] \
1849	-column 0 -row $ind -sticky ew
1850	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1851	grid [frame $ProfileFrame.1] \
1852	-column 0 -row 0 -columnspan 10
1853	pack [label $ProfileFrame.1.l \
1854	-text Damping]\
1855	-side left
1856	} else {
1857	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1858	-column 0 -row $ind -sticky ew
1859	set ProfileFrame $expgui(ProfileBox).f.$i
1860	grid [frame $ProfileFrame.1] \
1861	-column 0 -row 0 -columnspan 10 -sticky ew
1862	pack [label $ProfileFrame.1.l \
1863	-text "Phase $i (type $ptype) Damping"]\
1864	-side left
1865	}
1866	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1867	0 1 2 3 4 5 6 7 8 9
1868	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1869	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1870	pack $ProfileFrame.1.tkOptDamp -side left
1871	pack [label $ProfileFrame.1.l1 \
1872	-text " Peak cutoff"]\
1873	-side left
1874	pack [entry $ProfileFrame.1.e1 \
1875	-width 10 -textvariable entryvar(pcut_$i)]\
1876	-side left
1877	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1878	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1879
1880	pack [button $ProfileFrame.1.b1 \
1881	-text "Change Type" \
1882	-command "ChangeProfileType $hist $i"]\
1883	-side left
1884
1885	set col -1
1886	set row 1
1887	set nterms [hapinfo $hist $i profterms]
1888	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1889	for { set num 1 } { $num <= $nterms } { incr num } {
1890	set term {}
1891	catch {set term [lindex $lbls $num]}
1892	if {$term == ""} {set term $num}
1893	incr col
1894	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1895	-row $row -column $col
1896	incr col
1897	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1898	-variable entryvar(pref${num}_$i)] -row $row -column $col
1899	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1900	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1901	incr col
1902	grid [entry $ProfileFrame.ent${num}_${i} \
1903	-textvariable entryvar(pterm${num}_$i)\
1904	-width 12] -row $row -column $col
1905	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1906	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1907	if {$col > 6} {set col -1; incr row}
1908	}
1909	}
1910	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1911	} else {
1912	# get histogram list
1913	set histlist {}
1914	foreach item $expgui(curhist) {
1915	lappend histlist [lindex $expmap(powderlist) $item]
1916	}
1917	# must have at least one histogram selected here
1918	if {[llength $histlist] == 0} return
1919	# disable traces on entryvar for right now
1920	set entrycmd(trace) 0
1921	# loop through histograms & phases, set up an array by phase & profile type
1922	catch {unset prtyparray histarray phasearray}
1923	foreach hist $histlist {
1924	foreach phase $expmap(phaselist_$hist) {
1925	set prtyp [string trim [hapinfo $hist $phase proftype]]
1926	set key ${prtyp}_$phase
1927	lappend prtyparray($key) $hist
1928	lappend histarray($key) $hist
1929	lappend phasearray($key) $phase
1930	}
1931	}
1932
1933	set ptype ""
1934	set i -1
1935	# loop over all combined phases and profile types, sorted 1st by profile number
1936	foreach key [lsort [array names prtyparray]] {
1937	# split key
1938	scan $key %d_%d prftyp p
1939
1940	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1941	set ptype $prftyp
1942	set curhistlist $histarray($key)
1943	set curphaslist $phasearray($key)
1944
1945	set hist1 [lindex $curhistlist 0]
1946	set phase1 [lindex $curphaslist 0]
1947	set nterms [hapinfo $hist1 $phase1 profterms]
1948	set htype [string range $expmap(htype_$hist1) 2 2]
1949	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1950	# Create a frame for this type
1951	incr i
1952	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1953	if {$expgui(haveBW)} {
1954	grid [TitleFrame $expgui(ProfileBox).f.$i \
1955	-text "(type $ptype)" \
1956	-relief groove -bd 2] \
1957	-column 0 -row $i -sticky ew
1958	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1959	grid [frame $ProfileFrame.0] \
1960	-column 0 -row 0 -columnspan 20 -sticky ew
1961	} else {
1962	grid [frame $expgui(ProfileBox).f.$i \
1963	-relief groove -bd 4] \
1964	-column 0 -row $i -sticky ew
1965	set ProfileFrame $expgui(ProfileBox).f.$i
1966	grid [frame $ProfileFrame.0] \
1967	-column 0 -row 0 -columnspan 20 -sticky ew
1968	grid [label $ProfileFrame.0.0 \
1969	-text "Profile Type $ptype "] -row 0 -column 0
1970	}
1971	grid [label $ProfileFrame.0.1 \
1972	-anchor w] -row 0 -column 1
1973	grid [frame $ProfileFrame.1] \
1974	-column 0 -row 1 -columnspan 20 -sticky ew
1975	grid [label $ProfileFrame.1.2 \
1976	-text "Damping"] -row 0 -column 2
1977	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1978	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1979	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1980	grid [button $ProfileFrame.1.edit \
1981	-text "Global Edit"] -row 0 -column 4 -sticky w
1982	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1983	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
1984	-row 0 -column 5 -sticky w
1985	set col -1
1986	set row 2
1987	for { set num 1 } { $num <= $nterms } { incr num } {
1988	set term {}
1989	catch {set term [lindex $lbls $num]}
1990	if {$term == ""} {set term $num}
1991	incr col
1992	grid [label $ProfileFrame.l${num}_${i} \
1993	-text "$term"] -row $row -column $col
1994	incr col
1995	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1996	-variable entryvar(pref${num}_$i)] \
1997	-row $row -column $col
1998	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1999	if {$col > 10} {set col -1; incr row}
2000	}
2001	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2002	} else {
2003	# add to the current entry
2004	eval lappend curhistlist $histarray($key)
2005	eval lappend curphaslist $phasearray($key)
2006	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2007	}
2008	$ProfileFrame.0.1 config -text $boxtitle
2009	$ProfileFrame.1.edit config -command "\
2010	EditProfile \"\n$boxtitle\" \
2011	[list $curhistlist] \
2012	[list $curphaslist]"
2013	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2014	[list $curhistlist] [list $curphaslist]"
2015	set entrycmd(pdamp_$i) "hapinfo \
2016	[list $curhistlist] \
2017	[list $curphaslist] pdamp"
2018	for { set num 1 } { $num <= $nterms } { incr num } {
2019	set entrycmd(pref${num}_$i) "hapinfo \
2020	[list $curhistlist] \
2021	[list $curphaslist] pref$num"
2022	}
2023	}
2024	}
2025
2026	# resize the scroll window to match the actual
2027	update idletasks
2028	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2029	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2030	update idletasks
2031	ResizeNotebook
2032	# enable traces on entryvar now
2033	set entrycmd(trace) 1
2034	}
2035
2036	# process the bit settings in the print options
2037	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2038	proc printsetting {bitnum "action get" "value {}"} {
2039	global entryvar expgui
2040	if {$action == "get"} {
2041	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2042	} elseif $value {
2043	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2044	} else {
2045	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2046	}
2047	expinfo print set $newval
2048	set expgui(printopt) "Print Options ([expinfo print])"
2049	}
2050
2051	# need to respond to mouse presses -- control variable associated with extract Fobs
2052	# and set the LeBail extraction flags
2053	proc SetupExtractHist {} {
2054	global expgui entrycmd entryvar expmap
2055
2056	# display the selected histograms
2057	$expgui(lsFrame).hs.lbox selection clear 0 end
2058	foreach h $expgui(curhist) {
2059	$expgui(lsFrame).hs.lbox selection set $h
2060	}
2061
2062	# get histogram list
2063	set histlist {}
2064	foreach item $expgui(curhist) {
2065	set hist [lindex $expmap(powderlist) $item]
2066	if {$hist != ""} {lappend histlist $hist}
2067	}
2068	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2069	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2070	foreach phase {1 2 3 4 5 6 7 8 9} {
2071	$expgui(FobsExtractFrame).l$phase config -fg grey
2072	set expgui(Fextract$phase) {}
2073	foreach item $expgui(ExtractSettingsRadiobuttons) {
2074	${item}$phase config -state disabled -bd 1
2075	}
2076	}
2077	} elseif {[llength $histlist] == 1} {
2078	# disable traces on entryvar
2079	set entrycmd(trace) 0
2080	set entryvar(fobsextract) [histinfo $histlist foextract]
2081	foreach phase {1 2 3 4 5 6 7 8 9} {
2082	# is the phase present?
2083	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2084	$expgui(FobsExtractFrame).l$phase config -fg grey
2085	set expgui(Fextract$phase) {}
2086	foreach item $expgui(ExtractSettingsRadiobuttons) {
2087	${item}$phase config -state disabled -bd 1
2088	}
2089	} else {
2090	$expgui(FobsExtractFrame).l$phase config -fg black
2091	foreach item $expgui(ExtractSettingsRadiobuttons) {
2092	${item}$phase config -state normal -bd 2
2093	}
2094	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2095	}
2096	}
2097	} elseif {[llength $histlist] > 1} {
2098	# disable traces on entryvar
2099	set entrycmd(trace) 0
2100	# multiple histograms need phases in any histogram
2101	foreach phase {1 2 3 4 5 6 7 8 9} {
2102	set gotphase($phase) 0
2103	}
2104	foreach hist $histlist {
2105	foreach phase $expmap(phaselist_$hist) {
2106	set gotphase($phase) 1
2107	}
2108	}
2109	foreach phase {1 2 3 4 5 6 7 8 9} {
2110	set expgui(Fextract$phase) {}
2111	if $gotphase($phase) {
2112	$expgui(FobsExtractFrame).l$phase config -fg black
2113	foreach item $expgui(ExtractSettingsRadiobuttons) {
2114	${item}$phase config -state normal -bd 2
2115	}
2116	} else {
2117	$expgui(FobsExtractFrame).l$phase config -fg grey
2118	foreach item $expgui(ExtractSettingsRadiobuttons) {
2119	${item}$phase config -state disabled -bd 1
2120	}
2121	}
2122	}
2123	}
2124	# reenable traces
2125	set entrycmd(trace) 1
2126	}
2127	# respond to a change in the fobs extraction method for a phase
2128	# force the main extraction flag on, if fobs extraction is selected for any phase
2129	proc HistExtractSet {phase} {
2130	global expgui entryvar expmap
2131	foreach item $expgui(curhist) {
2132	lappend histlist [lindex $expmap(powderlist) $item]
2133	}
2134	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2135	incr expgui(changed)
2136	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2137	}
2138	#---------------------------- Global Edit Functions ------------------------
2139	proc editbackground {} {
2140	global expgui expmap entrycmd
2141	set histlist {}
2142	foreach n $expgui(curhist) {
2143	lappend histlist [lindex $expmap(powderlist) $n]
2144	}
2145	if {[llength $histlist] == 0} return
2146
2147	set w .back
2148	catch {destroy $w}
2149	toplevel $w -bg beige
2150	if {$expgui(globalmode) != 0} {
2151	wm title $w "Global Edit Background"
2152	} else {
2153	wm title $w "Edit Background"
2154	}
2155
2156	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2157	] -side top -expand yes -fill both
2158	if {[llength $histlist] > 1} {
2159	grid [label $w.0.a \
2160	-text "Setting background terms for histograms [CompressList $histlist]" \
2161	-bg beige] -row 0 -column 0 -columnspan 10
2162	} else {
2163	grid [label $w.0.a \
2164	-text "Setting background terms for histogram $histlist" \
2165	-bg beige] -row 0 -column 0 -columnspan 10
2166	}
2167	set hist [lindex $histlist 0]
2168	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2169
2170	# disable traces on expgui(backtype) & expgui(backterms) now
2171	set entrycmd(trace) 0
2172
2173	# number of terms
2174	set expgui(backtype) [histinfo $hist backtype]
2175	set expgui(orig_backtype) $expgui(backtype)
2176	set expgui(prev_backtype) $expgui(backtype)
2177	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2178	$typemenu delete 0 end
2179	foreach item {
2180	"1 - Shifted Chebyshev"
2181	"2 - Cosine Fourier series"
2182	"3 - Radial distribution peaks"
2183	"4 - Power series in Q**2n/n!"
2184	"5 - Power series in n!/Q**2n"
2185	"6 - Power series in Q2n/n! and n!/Q2n"
2186	"7 - Linear interpolation function"
2187	"8 - Reciprocal interpolation function"
2188	} {
2189	set val [lindex $item 0]
2190	$typemenu insert end radiobutton -variable expgui(backtype) \
2191	-label $item -value $val
2192	}
2193
2194	grid $w.0.type -row 1 -column 1
2195	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2196
2197	# function type
2198	set expgui(backterms) [histinfo $hist backterms]
2199	set expgui(orig_backterms) $expgui(backterms)
2200	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2201	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2202	grid $w.0.terms -row 1 -column 3
2203	# enable traces on expgui(backtype) & expgui(backterms) now
2204	set entrycmd(trace) 1
2205
2206	#set background terms
2207	for {set num 1 } { $num <= 36 } { incr num } {
2208	set var "bterm$num"
2209	set expgui($var) {}
2210	set expgui(orig_$var) {}
2211	}
2212	if {[llength $histlist] == 1} {
2213	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2214	set var "bterm$num"
2215	set expgui($var) [histinfo $histlist $var]
2216	set expgui(orig_$var) $expgui($var)
2217	}
2218	}
2219
2220	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2221	-expand yes -fill both
2222	ShowBackTerms $w.1
2223
2224	set expgui(temp) {}
2225	pack [frame $w.b] -side top
2226	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2227	pack [button $w.b.3 -text Quit \
2228	-command "QuitEditBackground $w"] -side left
2229	bind $w <Return> "destroy $w"
2230
2231	# force the window to stay on top
2232	putontop $w
2233
2234	focus $w.b.2
2235	tkwait window $w
2236	afterputontop
2237
2238	if {$expgui(temp) != ""} return
2239
2240	if {$expgui(orig_backtype) != $expgui(backtype)} {
2241	histinfo $histlist backtype set $expgui(backtype)
2242	incr expgui(changed)
2243	}
2244	if {$expgui(orig_backterms) != $expgui(backterms)} {
2245	histinfo $histlist backterms set $expgui(backterms)
2246	incr expgui(changed)
2247	}
2248	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2249	set var "bterm$num"
2250	if {$expgui(orig_$var) != $expgui($var)} {
2251	histinfo $histlist $var set $expgui($var)
2252	incr expgui(changed)
2253	}
2254	}
2255
2256	if {$expgui(globalmode) == 0} {
2257	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2258	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2259	}
2260	}
2261
2262	trace variable expgui(backterms) w ChangeBackTerms
2263	proc ChangeBackTerms {a b c} {
2264	global entrycmd expgui
2265	if !$entrycmd(trace) return
2266	ShowBackTerms .back.1
2267	}
2268
2269	trace variable expgui(backtype) w ChangeBackType
2270	# reset the terms to 1, 0, 0... when the number of terms increase
2271	proc ChangeBackType {a b c} {
2272	global entrycmd expgui
2273	if !$entrycmd(trace) return
2274	if {$expgui(prev_backtype) == $expgui(backtype)} return
2275	set expgui(prev_backtype) $expgui(backtype)
2276	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2277	set var "bterm$num"
2278	if {$num == 1} {
2279	set expgui($var) 1.0
2280	} else {
2281	set expgui($var) 0.0
2282	}
2283	}
2284	}
2285
2286	proc ShowBackTerms {w } {
2287	global expgui expmap
2288	# destroy the contents of the frame
2289	eval destroy [winfo children $w]
2290	set histlist {}
2291	foreach n $expgui(curhist) {
2292	lappend histlist [lindex $expmap(powderlist) $n]
2293	}
2294	set widgetsPerRow 4
2295	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2296	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2297	set var "bterm$num"
2298	grid [label $w.l$num -text $num -bg beige] \
2299	-row $rows -column $cols -sticky nes
2300	incr cols
2301	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2302	] -row $rows -column $cols -sticky news
2303	incr cols
2304	}
2305	}
2306	}
2307
2308	proc QuitEditBackground {w} {
2309	global expgui
2310	# lets find out if anything changed
2311	set changed 0
2312	if {$expgui(orig_backtype) != $expgui(backtype)} {
2313	set changed 1
2314	}
2315	if {$expgui(orig_backterms) != $expgui(backterms)} {
2316	set changed 1
2317	}
2318	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2319	set var "bterm$num"
2320	if {$expgui(orig_$var) != $expgui($var)} {
2321	set changed 1
2322	break
2323	}
2324	}
2325	if $changed {
2326	set decision [tk_dialog .changes "Abandon Changes" \
2327	"You have made changes to the background. Ok to abandon changes?" \
2328	warning 0 Abandon Keep]
2329	if !$decision {
2330	set expgui(temp) "Quit"
2331	destroy $w
2332	}
2333	} else {
2334	set expgui(temp) "Quit"
2335	destroy $w
2336	}
2337	}
2338
2339	# this probably needs work
2340	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2341	global expgui expmap
2342	set w .global
2343	catch {destroy $w}
2344	toplevel $w -bg beige
2345	wm title $w "Edit Global Parameter"
2346	set expgui(temp) {}
2347	if {[llength $histlist] == 0} {
2348	set hist {}
2349	foreach n $expgui(curhist) {
2350	lappend hist [lindex $expmap(powderlist) $n]
2351	}
2352	} else {
2353	set hist $histlist
2354	}
2355	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2356	-side top -expand yes -fill both
2357	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2358	-bg beige] \
2359	-row 0 -column 0 -columnspan 10
2360	grid [entry $w.0.b -textvariable expgui(temp)] \
2361	-row 1 -column 0
2362
2363
2364	pack [frame $w.b] -side top
2365	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2366	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2367	bind $w <Return> "destroy $w"
2368
2369	# force the window to stay on top
2370	putontop $w
2371	focus $w.b.2
2372	tkwait window $w
2373	afterputontop
2374
2375	if {$expgui(temp) != ""} {
2376	foreach h $hist {
2377	if {$cmd == "histinfo"} {
2378	histinfo $h $variable set $expgui(temp)
2379	incr expgui(changed)
2380	if $expgui(debug) {
2381	puts "histinfo $h $variable set $expgui(temp)"
2382	}
2383	} elseif {$cmd == "hapinfo"} {
2384	hapinfo $h $phase $variable set $expgui(temp)
2385	incr expgui(changed)
2386	if $expgui(debug) {
2387	puts "hapinfo $phase $h $variable set $expgui(temp)"
2388	}
2389	} else {
2390	error "$cmd unimplemented"
2391	}
2392	}
2393	}
2394	}
2395
2396	proc EditProfile {title histlist phaselist} {
2397	global expgui expmap entrycmd
2398	set w .back
2399	catch {destroy $w}
2400	toplevel $w -bg beige
2401	wm title $w "Global Edit Profile"
2402	set hist [lindex $histlist 0]
2403	set phase [lindex $phaselist 0]
2404	set ptype [string trim [hapinfo $hist $phase proftype]]
2405	set htype [string range $expmap(htype_$hist) 2 2]
2406	set nterms [hapinfo $hist $phase profterms]
2407
2408	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2409	] -side top -expand yes -fill both
2410	grid [label $w.0.a \
2411	-text "Setting profile terms: $title" \
2412	-bg beige] -row 0 -column 0 -columnspan 10
2413	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2414	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2415	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2416	set entrylist {}
2417	lappend entrylist "pcut $w.0.d"
2418
2419	set col -1
2420	set row 1
2421	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2422	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2423	] -side top -expand yes -fill both
2424	for { set num 1 } { $num <= $nterms } { incr num } {
2425	set term {}
2426	catch {set term [lindex $lbls $num]}
2427	if {$term == ""} {set term $num}
2428	incr col
2429	grid [label $w.1.l${num} -text "$term" -bg beige] \
2430	-row $row -column $col
2431	incr col
2432	grid [entry $w.1.ent${num} \
2433	-width 14] -row $row -column $col
2434	lappend entrylist "pterm$num $w.1.ent${num}"
2435	if {$col > 6} {set col -1; incr row}
2436	}
2437	pack [frame $w.b] -side top
2438	pack [button $w.b.2 -text Set \
2439	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2440	[list $histlist] $w"] -side left
2441	pack [button $w.b.3 -text Quit \
2442	-command "QuitEditProfile $w [list $entrylist]"] -side left
2443	bind $w <Return> "destroy $w"
2444
2445	# force the window to stay on top
2446	putontop $w
2447	focus $w.b.2
2448	tkwait window $w
2449	afterputontop
2450	}
2451
2452	proc SetEditProfile {entrylist phaselist histlist w} {
2453	global expgui
2454	foreach item $entrylist {
2455	set value [ [lindex $item 1] get ]
2456	if {$value != ""} {
2457	hapinfo $histlist $phaselist [lindex $item 0] set $value
2458	incr expgui(changed)
2459	if $expgui(debug) {
2460	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2461	}
2462	}
2463	}
2464	destroy $w
2465	}
2466
2467	proc QuitEditProfile {w entrylist} {
2468	global expgui
2469	# lets find out if anything changed
2470	set changed 0
2471	foreach item $entrylist {
2472	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2473	}
2474	if $changed {
2475	set decision [tk_dialog .changes "Abandon Changes" \
2476	"You have made changes to the Profile. Ok to abandon changes?" \
2477	warning 0 Abandon Keep]
2478	if !$decision {destroy $w}
2479	} else {
2480	destroy $w
2481	}
2482	}
2483
2484	##############################################################################
2485	## #############################################
2486	## END OF THE PROCEDURES SECTION #############################################
2487	## #############################################
2488	##############################################################################
2489
2490	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2491	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2492	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2493	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2494	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2495	# A frame for menu items at top of display
2496	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2497	# Pack the menu frame.
2498	pack $expgui(fm) -fill x -side top -anchor n
2499
2500	# create a button bar
2501	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2502
2503	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2504	# & LS controls
2505	# 0 name,
2506	# 1 title
2507	# 2 create command
2508	# 3 raise command
2509	# 4 disable page in global mode (0/1)
2510
2511	if $expgui(haveBW) {
2512	pack [NoteBook .n -bd 2] -expand yes -fill both
2513	# create an array element describing each notebook page
2514	# element 0 -- pane name
2515	# 1 -- Label on frame
2516	# 2 -- initialization command
2517	# 3 -- update command
2518	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2519	# are selected in global mode, 0 otherwise
2520	set expgui(notebookpagelist) {
2521	{lsFrame "LS Controls" \
2522	"" \
2523	SetupExtractHist \
2524	0}
2525	{phaseFrame Phase \
2526	"" \
2527	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2528	0}
2529	{histFrame Histogram \
2530	MakeHistPane \
2531	DisplayHistogram \
2532	1}
2533	{fracFrame Scaling \
2534	MakeScalingPane \
2535	DisplayFrac \
2536	0}
2537	{profFrame Profile \
2538	MakeProfilePane \
2539	DisplayProfile \
2540	1}
2541	{consFrame Constraints \
2542	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2543	DisplayConstraintsPane \
2544	0}
2545	{orientFrame "MD Pref Orient" \
2546	MakeOrientPane \
2547	DisplayOrient \
2548	0}
2549	{odfFrame "SH Pref Orient" \
2550	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2551	DisplayODFPane \
2552	0}
2553	}
2554	foreach item $expgui(notebookpagelist) {
2555	set frm [lindex $item 0]
2556	set expgui($frm) [\
2557	.n insert end $frm -text [lindex $item 1] \
2558	-createcmd [lindex $item 2] \
2559	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2560
2561	# at this time expgui(frameactionlist) is generated
2562	# from expgui(notebookpagelist), but in the future it might
2563	# make sense to use expgui(notebookpagelist) directly
2564	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2565
2566	# panes to disable in global "all" mode
2567	if {[lindex $item 4]} {
2568	lappend expgui(GlobalModeAllDisable) \
2569	"$frm \{.n itemconfigure $frm\}"
2570	}
2571	}
2572	} else {
2573	Notebook:create .n \
2574	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2575	pack .n -anchor w -fill both -expand yes
2576	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2577	orientFrame} \
2578	page {"LS Controls" Phase Histogram Scaling Profile \
2579	"MD Pref Orient"} {
2580	set expgui($item) [Notebook:frame .n $item]
2581	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2582	}
2583	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2584	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2585	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2586	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2587	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2588	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2589	set expgui(GlobalModeAllDisable) {}
2590	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2591	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2592	}
2593
2594	# this is used to bring up the selected frame
2595	proc RaisePage {nextpage} {
2596	global expgui
2597	if $expgui(haveBW) {
2598	.n see $nextpage
2599	.n raise $nextpage
2600	set expgui(pagenow) $nextpage
2601	} else {
2602	Notebook:raise .n $nextpage
2603	InitPage $nextpage
2604	}
2605	}
2606	# this is only called when BWidget is not in use
2607	proc InitPage {nextpage} {
2608	global expgui
2609	set expgui(pagenow) $nextpage
2610	UpdateCurrentPage
2611	}
2612	# resize the notebook to fit all the tabs and the largest page
2613	proc ResizeNotebook {} {
2614	global expgui
2615	if {$expgui(haveBW)} {
2616	.n compute_size
2617	} else {
2618	Notebook:resize .n
2619	}
2620	}
2621
2622	#----------------------------------------------------------------------------
2623	proc MakePhasePane {} {
2624	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2625	global expgui
2626	frame $expgui(phaseFrame).top
2627	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2628	# This is a big frame in the Phase notebook pane to hold atomic data.
2629	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2630	-relief raised -borderwidth 4 -bg beige]
2631	# This is a frame just below the big frame: for edits
2632	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2633	-relief raised -borderwidth 4 -bg beige]
2634
2635	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2636	grid $frameLatt -sticky news -row 2 -column 0
2637	grid $fbig -sticky news -row 3 -column 0
2638	# give extra space to the atoms box
2639	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2640	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2641	grid $frame3 -sticky news -row 4 -column 0
2642	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2643	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2644	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2645	# this is where the buttons will go
2646	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2647
2648	grid [label $expgui(phaseFrame).top.lA -text title: \
2649	-fg blue ] -column 1 -row 0 -sticky e
2650	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2651	-fg blue -width 45] -column 2 -row 0 -sticky e
2652	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2653	# ------------- Lattice Parameter Box ------------------
2654	set row 0
2655	foreach col {2 4 6} var {a b c} lbl {a b c} {
2656	grid [label $frameLatt.l$var -text $lbl] \
2657	-column $col -row $row -padx 5 -sticky e
2658	incr col
2659	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2660	-column $col -row $row -padx 5
2661	}
2662	incr row
2663	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2664	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2665	-column $col -row $row -padx 5 -sticky e
2666	incr col
2667	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2668	-column $col -row $row -padx 5
2669	}
2670
2671	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2672	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2673	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2674	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2675	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2676	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2677	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2678	-column 1 -row 0 -rowspan 2
2679	if [file executable $expgui(exptool)] {
2680	button $frameLatt.newp -text Replace\nPhase \
2681	-command MakeReplacePhaseBox -state disabled
2682	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2683	}
2684	grid columnconfig $frameLatt 1 -weight 1
2685	grid columnconfig $frameLatt 0 -weight 1
2686	#-------------- Begin Atom Coordinates Box ------------------------------
2687	grid [listbox $fbig.title -height 1 -relief flat \
2688	-exportselection 0 -bg lightgrey -fg black \
2689	-selectforeground black -selectbackground lightgrey] \
2690	-row 0 -column 0 -sticky ew
2691	set expgui(atomtitle) $fbig.title
2692	bind $expgui(atomtitle) <Button-1> {
2693	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2694	incr i
2695	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2696	DisplayAllAtoms
2697	}
2698	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2699
2700	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2701	grid [listbox $fbig.lbox -height 10 \
2702	-exportselection 0 \
2703	-xscrollcommand " $fbig.bscr set"\
2704	-yscrollcommand " $fbig.rscr set"\
2705	] -row 1 -column 0 -sticky news
2706	set expgui(atomlistbox) $fbig.lbox
2707	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2708	grid [scrollbar $fbig.bscr -orient horizontal \
2709	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2710	] -row 2 -column 0 -sticky ew
2711	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2712	] -row 1 -column 1 -sticky ns
2713	# give extra space to the atoms box
2714	grid columnconfigure $fbig 0 -weight 1
2715	grid rowconfigure $fbig 1 -weight 1
2716
2717	# BIND mouse in editbox
2718	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2719	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2720
2721	#-------------- End Atoms Section ---------------------------------
2722
2723	# --------------------------- Begin Edit Box ------------------------
2724	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2725	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2726	if [file executable $expgui(exptool)] {
2727	button $frame3.newa -text "Add New Atom" \
2728	-command {MakeAddAtomsBox $expgui(curPhase)}
2729	grid $frame3.newa -column 11 -row 0
2730	}
2731	button [set expgui(atomxform) $frame3.xa] \
2732	-command {MakeXformAtomsBox $expgui(curPhase)}
2733	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2734
2735	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2736	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2737
2738	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2739	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2740	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2741	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2742	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2743	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2744
2745	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2746	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2747
2748	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2749	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2750	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2751	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2752	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2753	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2754	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2755	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2756	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2757
2758	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2759	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2760
2761	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2762	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2763
2764	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2765	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2766	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2767	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2768	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2769	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2770	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2771	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2772	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2773	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2774
2775	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2776	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2777	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2778	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2779	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2780	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2781	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2782	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2783
2784	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2785	grid $f3f31 -column 0 -row 7 -columnspan 12
2786	set expgui(anisolabels) {}
2787	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2788	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2789	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2790	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2791	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2792	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2793
2794	set expgui(anisoentry) {}
2795	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2796	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2797	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2798	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2799	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2800	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2801
2802	set col 0
2803	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2804	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2805	incr col
2806	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2807	incr col
2808	}
2809	# --------------------------- End Edit Box -------------------------
2810
2811	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2812	# resize in case the pane needs more space
2813	ResizeNotebook
2814	}
2815
2816	proc move2boxes {boxlist args} {
2817	foreach listbox $boxlist {
2818	eval $listbox xview $args
2819	}
2820	}
2821	#-----------------------------------------------------------------------------
2822	proc MakeHistPane {} {
2823	#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
2824	global expgui
2825
2826	grid columnconfigure $expgui(histFrame) 0 -weight 1
2827	grid rowconfigure $expgui(histFrame) 1 -weight 1
2828	grid rowconfigure $expgui(histFrame) 2 -weight 1
2829	grid rowconfigure $expgui(histFrame) 3 -weight 1
2830
2831	grid [frame $expgui(histFrame).hs] \
2832	-column 0 -row 0 -rowspan 10 -sticky nsew
2833	MakeHistBox $expgui(histFrame).hs
2834	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2835	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2836	DisplayHistogram
2837	}
2838	bind $expgui(histFrame).hs.lbox <Button-3> {
2839	if $expgui(globalmode) {
2840	$expgui(histFrame).hs.lbox selection set 0 end
2841	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2842	DisplayHistogram
2843	}
2844	}
2845
2846	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2847	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2848	if $expgui(haveBW) {
2849	foreach item {backBox diffBox} num {2 3} \
2850	title {Background "Diffractometer Constants"} {
2851	TitleFrame $expgui(histFrame).$item \
2852	-borderwidth 4 -side left -relief groove -text $title
2853	set expgui($item) [$expgui(histFrame).$item getframe]
2854	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2855	grid rowconfigure $expgui(histFrame) $num -minsize 100
2856	}
2857	} else {
2858	foreach item {backBox diffBox} num {1 2} \
2859	title {Background "Diffractometer Constants"} {
2860	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2861	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2862	set expgui($item) $expgui(histFrame).$item
2863	grid [label $expgui(histFrame).$item.title -text $title] \
2864	-row 0 -column 0 -columnspan 10 -sticky nw
2865	}
2866	}
2867	if [file executable $expgui(exptool)] {
2868	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2869	grid $expgui(histFrame).newh -column 1 -row 6
2870	}
2871
2872	# BACKGROUND information.
2873	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2874	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2875	grid [label $expgui(backBox).frm1.lBGType \
2876	-textvariable expgui(backtypelbl)] \
2877	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2878	grid [label $expgui(backBox).frm1.lBGTerms \
2879	-textvariable expgui(backtermlbl)] \
2880	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2881	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2882	-command editbackground] \
2883	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2884	grid [frame $expgui(backBox).frm2 ] \
2885	-row 1 -column 0 -columnspan 11 -sticky e
2886	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2887	-row 2 -column 1 -sticky news -padx 4 -pady 3
2888	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2889	-variable entryvar(bref) ] \
2890	-row 2 -column 2 -sticky news -padx 4 -pady 3
2891	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2892	-row 2 -column 3 -sticky w -padx 2 -pady 3
2893	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2894	grid $expgui(backBox).frm2.om \
2895	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2896	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2897	# insert the histograms & resize in case the pane needs more space
2898	sethistlist
2899	ResizeNotebook
2900	}
2901	###############################################################################
2902	proc MakeScalingPane {} {
2903	#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
2904	global expgui
2905
2906	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2907	MakeHistBox $expgui(fracFrame).hs
2908	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2909	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2910	DisplayFrac
2911	}
2912	bind $expgui(fracFrame).hs.lbox <Button-3> {
2913	if $expgui(globalmode) {
2914	$expgui(fracFrame).hs.lbox selection set 0 end
2915	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2916	DisplayFrac
2917	}
2918	}
2919
2920	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2921	# Create a large canvas area containing a frame for each phase in the data set.
2922	# The canvas and vertical scrollbar are inside a frame called f1
2923	if $expgui(haveBW) {
2924	TitleFrame $expgui(fracFrame).f1.scaleBox \
2925	-borderwidth 4 -text "Scale Factor"
2926	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2927	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2928	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2929	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2930	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2931	} else {
2932	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2933	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2934	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2935	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2936	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2937	}
2938	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2939	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2940	button $expgui(scaleBox).but1 -text "Set Globally" \
2941	-command "editglobalparm histinfo scale {Scale Factor}"
2942
2943	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2944	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2945	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2946	-row 1 -column 3 -sticky news -padx 4 -pady 3
2947	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2948	-row 1 -column 4 -sticky w -padx 2 -pady 3
2949	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2950	grid $expgui(scaleBox).om \
2951	-row 1 -column 5 -sticky news -padx 4 -pady 3
2952	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2953
2954	if $expgui(haveBW) {
2955	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2956	-text "Phase Fractions" -relief groove] \
2957	-sticky news -row 1 -column 0 -columnspan 2
2958	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2959	} else {
2960	set PhaseFractBox $expgui(fracFrame).f1
2961	}
2962	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2963	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2964
2965	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2966	-scrollregion {0 0 5000 500} \
2967	-yscrollcommand "$PhaseFractBox.yscroll set" \
2968	-width 500 -height 350 -bg lightgrey]] \
2969	-sticky news -row 1 -column 0
2970	grid [scrollbar $PhaseFractBox.yscroll \
2971	-command "$expgui(FracBox) yview" \
2972	-orient vertical] \
2973	-sticky ns -row 1 -column 1
2974	frame $expgui(FracBox).f -bd 0
2975	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2976
2977	# the rest of the page is created in DisplayFrac
2978
2979	# insert the histograms & resize in case the pane needs more space
2980	sethistlist
2981	ResizeNotebook
2982	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2983	}
2984	###############################################################################
2985	proc MakeProfilePane {} {
2986	global expgui
2987	# 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
2988	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2989	MakeHistBox $expgui(profFrame).hs
2990	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2991	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2992	DisplayProfile
2993	}
2994	bind $expgui(profFrame).hs.lbox <Button-3> {
2995	if $expgui(globalmode) {
2996	$expgui(profFrame).hs.lbox selection set 0 end
2997	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2998	DisplayProfile
2999	}
3000	}
3001
3002	# Create a large canvas area containing a frame for each phase in the data set.
3003	# The canvas and vertical scrollbar are inside a frame called f1
3004	pack [frame $expgui(profFrame).f1] -fill both -expand true
3005	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3006	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3007	-sticky news -row 0 -column 0
3008	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3009	-sticky ns -row 0 -column 1
3010
3011	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3012	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3013
3014	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3015	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3016	frame $expgui(ProfileBox).f -bd 0
3017	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3018
3019	# insert the histograms & resize in case the pane needs more space
3020	sethistlist
3021	ResizeNotebook
3022	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3023	}
3024
3025	##############################################################################
3026	# 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
3027	array set printopts {
3028	0 "Print the reciprocal metric tensor changes"
3029	1 "Print the correlation matrix"
3030	2 "Print the Least-Squares matrices and vectors"
3031	4 "Print the linear constraint matrices"
3032	5 "Print the applied shifts and shift factors"
3033	6 "Print the reciprocal metric tensor Var-Covar terms"
3034	7 "Print all parameters for each cycle"
3035	8 "Print summary shift/esd data after last cycle"
3036	9 "Print zero/unit pole figure constraint terms"
3037	}
3038	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3039	MakeHistBox $expgui(lsFrame).hs
3040	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3041	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3042	SetupExtractHist
3043	}
3044	bind $expgui(lsFrame).hs.lbox <Button-3> {
3045	if $expgui(globalmode) {
3046	$expgui(lsFrame).hs.lbox selection set 0 end
3047	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3048	SetupExtractHist
3049	}
3050	}
3051
3052	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3053	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3054	set row 0
3055	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3056	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3057	-textvariable expgui(last_History)] \
3058	-row $row -column 1 -columnspan 5 -sticky w
3059	incr row
3060	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3061	grid [entry $expgui(lsFrame).f1.tit2 \
3062	-textvariable entryvar(title) -width 48] \
3063	-row $row -column 1 -columnspan 5 -sticky w
3064	set entrycmd(title) "expinfo title"
3065
3066	incr row
3067	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3068	-row $row -column 0 -columnspan 2 -pady 3
3069	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3070	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3071	-textvariable entryvar(cycles)] -row 0 -column 1
3072	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3073	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3074	] -row $row -column 2
3075	menu $expgui(lsFrame).f1.lprint.menu
3076	foreach num [lsort [array names printopts]] {
3077	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3078	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3079	-variable entryvar(printopt$num)
3080	}
3081	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3082	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3083	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3084	incr row
3085	if {$expgui(haveBW)} {
3086	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3087	-text "Reflection Intensity Extraction" \
3088	] -row $row -column 0 -columnspan 6
3089	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3090	} else {
3091	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3092	] -row $row -column 0 -columnspan 6
3093	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3094	}
3095	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3096	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3097	-row 0 -column 8 -columnspan 3 -sticky e
3098	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3099	-row 0 -column 2
3100	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3101	-variable entryvar(fobsextract)] -row 0 -column 3
3102	foreach num {1 2 3 4 5 6 7 8 9} {
3103	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3104	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3105	-command "HistExtractSet $num" \
3106	-variable expgui(Fextract$num) -value 0] \
3107	-row 2 -column $num
3108	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3109	-command "HistExtractSet $num" \
3110	-variable expgui(Fextract$num) -value 1] \
3111	-row 3 -column $num
3112	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3113	-command "HistExtractSet $num" \
3114	-variable expgui(Fextract$num) -value 2] \
3115	-row 4 -column $num
3116	}
3117	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3118	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3119	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3120
3121	grid [label $expgui(FobsExtractFrame).t \
3122	-text "Extraction\nMethod" -anchor c] \
3123	-column 0 -row 0 -rowspan 2 -sticky s
3124	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3125	-column 1 -row 0 -columnspan 7 -sticky sw
3126	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3127	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3128	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3129	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3130	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3131	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3132	#-------------------------------------------------------------------------
3133	#-------------------------------------------------------------------------
3134	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3135
3136	#---- file menu button
3137	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3138	menu $expgui(fm).file.menu
3139	if $expgui(debug) {
3140	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3141	}
3142	if {$tcl_platform(platform) != "macintosh"} {
3143	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3144	}
3145	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3146	-command savearchiveexp
3147	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3148	$expgui(fm).file.menu add command -label "Save As" \
3149	-command "SaveAsFile"
3150	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3151	-command {rereadexp $expgui(expfile)}
3152
3153	#---- help menu button
3154	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3155	menu $expgui(fm).help.menu
3156	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3157	-label "Help on Command"
3158	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3159	$expgui(fm).help.menu add command -label "About..." -command About
3160
3161	#---- options menu button
3162	menubutton $expgui(fm).option -text Options \
3163	-menu $expgui(fm).option.menu
3164	menu $expgui(fm).option.menu
3165
3166	if {$tcl_platform(platform) != "macintosh"} {
3167	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3168	-variable expgui(archive)
3169	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3170	-variable expgui(disaglSeparateBox)
3171	}
3172	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3173	-label "Sort atoms by"
3174
3175	set expgui(asorttype) number
3176	menu $expgui(fm).option.menu.asort
3177	foreach opt {number type mult x y z occupancy} {
3178	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3179	-label $opt -value $opt -variable expgui(asorttype)
3180	}
3181
3182	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3183	-label "Sort histograms by"
3184
3185	set expgui(hsorttype) number
3186	menu $expgui(fm).option.menu.hsort
3187	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3188	-label number -value number -variable expgui(hsorttype)
3189	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3190	-label "Histogram type" -value type -variable expgui(hsorttype)
3191	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3192	-label "Bank #" -value bank -variable expgui(hsorttype)
3193	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3194	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3195
3196	#---- Global mode menu button
3197	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3198	-label "Multiple hist. selection"
3199	menu $expgui(fm).option.menu.editmode
3200	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3201	-variable expgui(globalmode) -value 0 \
3202	-command sethistlist
3203	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3204	-variable expgui(globalmode) -value 6 \
3205	-command sethistlist
3206	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3207	-variable expgui(globalmode) -value 1 \
3208	-command sethistlist
3209	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3210	-variable expgui(globalmode) -value 2 \
3211	-command sethistlist
3212	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3213	-variable expgui(globalmode) -value 3 \
3214	-command sethistlist
3215	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3216	-variable expgui(globalmode) -value 4 \
3217	-command sethistlist
3218	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3219	-variable expgui(globalmode) -value 5 \
3220	-command sethistlist
3221	$expgui(fm).option.menu.editmode add separator
3222	$expgui(fm).option.menu.editmode add checkbutton \
3223	-label "Group phases together" \
3224	-variable expgui(globalphasemode) \
3225	-command sethistlist
3226
3227	set expgui(globalmode) 0
3228	set expgui(globalphasemode) 1
3229
3230	if {$tcl_platform(platform) == "unix"} {
3231	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3232	-variable env(GSASBACKSPACE)
3233	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3234	-variable expgui(autoexpload)
3235	}
3236
3237	$expgui(fm).option.menu add command -label "Save Options" \
3238	-command "SaveOptions"
3239
3240	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3241
3242	if {$tcl_platform(platform) != "macintosh"} {
3243	foreach menu $expgui(menunames) {
3244	set m [string tolower $menu]
3245	pack [menubutton $expgui(fm).$m -text $menu \
3246	-menu $expgui(fm).$m.menu] -side left
3247	menu $expgui(fm).$m.menu
3248	}
3249	}
3250	pack $expgui(fm).help -side right -in $expgui(fm)
3251
3252	if {$tcl_platform(platform) != "macintosh"} {
3253	# add the commands in expgui_menulist
3254	foreach menu [array names expgui_menulist ] {
3255	foreach cmd $expgui_menulist($menu) {
3256	set action {}
3257	set opt {}
3258	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3259	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3260	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3261	if {$action != "" && $action != "-"} {
3262	eval $expgui(fm).$menu.menu add command \
3263	-label $cmd $opt -command [list [subst $action]]
3264	if {[lindex $opt 0] == "-underline"} {
3265	catch {
3266	set num [lindex $opt 1]
3267	set key [string range $cmd $num $num]
3268	bind . <Alt-[string tolower $key]> [subst $action]
3269	bind . <Alt-[string toupper $key]> [subst $action]
3270	}
3271	}
3272	}
3273	}
3274	}
3275	}
3276	# setup command help
3277	foreach cmd [array names expgui_cmdlist] {
3278	set help {}
3279	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3280	if {$help == ""} {
3281	if {$expgui(debug)} {puts "no help for $cmd"}
3282	} else {
3283	# remove
3284	regsub -all \x09 $help " " help
3285	# preserve blank lines
3286	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3287	regsub -all \x0A $help " " help
3288	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3289	regsub -all " +" $help " " help
3290	set expgui_helplist($cmd) [string trim $help]
3291	}
3292	}
3293	if {$tcl_platform(platform) != "macintosh"} {
3294	# set up button bar
3295	foreach cmd $expgui(buttonlist) {
3296	set action {}
3297	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3298	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3299	if {$action != ""} {
3300	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3301	-text $cmd -command [list [subst $action]]] -side left
3302	}
3303	}
3304	}
3305
3306	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3307	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3308	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3309
3310	# make the phase pane
3311	MakePhasePane
3312	# and the rest of the windows w/o BWidget
3313	if !$expgui(haveBW) {
3314	MakeHistPane
3315	MakeScalingPane
3316	MakeProfilePane
3317	}
3318
3319	# handle indirect exits
3320	wm protocol . WM_DELETE_WINDOW catchQuit
3321	bind . <Control-c> catchQuit
3322
3323	set expgui(curPhase) ""
3324	set expgui(pagenow) ""
3325	set expgui(curhist) {}
3326	set expgui(selectedatomlist) {}
3327
3328	loadexp $expgui(expfile)
3329
3330	# select the 1st phase
3331	SelectOnePhase [lindex $expmap(phaselist) 0]
3332	# select the first histogram in the list by default (if there are any)
3333	if {[llength $expmap(histlistboxcontents)] > 0} {
3334	set expgui(curhist) 0
3335	} else {
3336	set expgui(curhist) {}
3337	}
3338
3339	# execute any local commands for final initialization
3340	eval $expgui(initstring)
3341
3342	# resize the notebook to fit all the tabs and the largest page
3343	ResizeNotebook
3344
3345	RaisePage lsFrame
3346	if {[CountHistory] > 100} {
3347	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3348	}

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