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source: trunk/expgui @ 181

Last change on this file since 181 was 181, checked in by toby, 13 years ago
# on 2000/06/01 02:48:14, toby did: define default txtview(font)
Property rcs:author set to `toby` Property rcs:date set to `2000/06/01 02:48:14` Property rcs:lines set to `+3 -2` Property rcs:rev set to `1.26` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 116.4 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 181 2009-12-04 23:01:45Z toby $
3	set expgui(Revision) {$Revision: 181 $ $Date: 2009-12-04 23:01:45 +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(debug) 0
47	catch {if $env(DEBUG) {set expgui(debug) 1}}
48	#set expgui(debug) 1
49
50	# default for archive mode = on
51	set expgui(archive) 1
52	# default for autoexec load = off
53	set expgui(autoexpload) 0
54	# save the name of the wish executable
55	set wishshell [info nameofexecutable]
56	# misc constants
57	set txtvw(font) "Courier"
58	set expgui(coordfont) "--courier-bold-r-normal--12-"
59	set expgui(histfont) "--courier-bold-r-normal--12-"
60	set liveplot(hst) 1
61	set liveplot(legend) 1
62	set expgui(filesort) 1
63	set expgui(initstring) {}
64	# use a separate window for DISAGL (default)
65	set expgui(disaglSeparateBox) 1
66	#=============================================================================
67	# Store names of profile terms.
68	array set expgui {
69	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
70	sig-2 rsca s1ec s2ec }
71	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
72	gam-2 switch ptec stec difc difa zero }
73	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
74	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
75	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
76	rstr rsta rsca eta}
77	prof-C-1 {CW-type U V W asym F1 F2 }
78	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
79	L11 L22 L33 L12 L13 L23 }
80	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
81	L11 L22 L33 L12 L13 L23 }
82	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
83	}
84	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
85	#----------------------------------------------------------------
86	# where are we?
87	set expgui(script) [info script]
88	# translate links -- go six levels deep
89	foreach i {1 2 3 4 5 6} {
90	if {[file type $expgui(script)] == "link"} {
91	set link [file readlink $expgui(script)]
92	if { [file pathtype $link] == "absolute" } {
93	set expgui(script) $link
94	} {
95	set expgui(script) [file dirname $expgui(script)]/$link
96	}
97	} else {
98	break
99	}
100	}
101	# fixup relative paths
102	if {[file pathtype $expgui(script)] == "relative"} {
103	set expgui(script) [file join [pwd] $expgui(script)]
104	}
105	set expgui(scriptdir) [file dirname $expgui(script) ]
106	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
107	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
108	#----------------------------------------------------------------
109	lappend auto_path $expgui(scriptdir)
110	set expgui(havetix) 0
111	set expgui(haveBW) 1
112	# for debugging non-BWidget version set environment variable NOBWIDGET
113	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
114	if $expgui(haveBW) {
115	if [catch {package require BWidget}] {set expgui(haveBW) 0}
116	}
117	# get the notebook widget if not using BWidgets
118	if {!$expgui(haveBW)} {source $expgui(scriptdir)/notebook.tcl}
119	#----------------------------------------------------------------
120	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
121	source [file join $expgui(scriptdir) opts.tcl]
122	}
123	# fetch EXP file processing routines
124	source [file join $expgui(scriptdir) readexp.tcl]
125	# commands for running GSAS programs
126	source [file join $expgui(scriptdir) gsascmds.tcl]
127	# contents of GSAS menus
128	source [file join $expgui(scriptdir) gsasmenu.tcl]
129	# commands for adding phases, histograms & atoms
130	source [file join $expgui(scriptdir) addcmds.tcl]
131	# commands for constraints
132	source [file join $expgui(scriptdir) atomcons.tcl]
133	#---------------------------------------------------------------------------
134	# override options with locally defined values
135	if [file exists [file join $expgui(scriptdir) localconfig]] {
136	source [file join $expgui(scriptdir) localconfig]
137	}
138	if [file exists [file join ~ .gsas_config]] {
139	source [file join ~ .gsas_config]
140	}
141	if {$tcl_platform(platform) == "windows"} {
142	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
143	} else {
144	set expgui(exptool) [file join $expgui(gsasexe) exptool]
145	}
146	#---------------------------------------------------------------------------
147	if {$expgui(expfile) != ""} {
148	if ![file exists $expgui(expfile)] {
149	update
150	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
151	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
152	error 0 "Create" "Open other"]
153	if $ans {set expgui(expfile) {}}
154	}
155	}
156	if {$expgui(expfile) == ""} {
157	# center the parent window because the getExpFileName window
158	# will be centered above it.
159	wm withdraw .
160	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
161	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
162	wm geom . +$x+$y
163	wm deiconify .
164	# windows needed this update before when using tk_getOpenFile.
165	# I am not sure it is still needed.
166	update
167	#
168	set expgui(expfile) [getExpFileName old]
169	}
170	if {$expgui(expfile) == ""} exit
171	# you've been warned this .EXP does not exist!
172	if ![file exists $expgui(expfile)] {
173	# create an "empty" exp file
174	createexp $expgui(expfile) \
175	[getstring "title for experiment $expgui(expfile)" 60 0]
176	}
177	catch {cd [string trim [file dirname $expgui(expfile)]]}
178
179	#
180	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
181	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
182	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
183	# load exp file and set up dialogs
184	proc loadexp {expfile} {
185	global expgui expmap entryvar entrycmd tcl_platform
186	set exploadtime [time {set fmt [expload $expfile]}]
187	if $expgui(debug) {puts "expload $exploadtime"}
188	# if the file was not in the correct format, force a rewrite before use
189	if {$fmt < 0} {
190	# read error
191	return
192	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
193	set expgui(changed) 1
194	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
195	set expgui(changed) 1
196	} else {
197	set expgui(changed) 0
198	}
199
200	# force exp files to be upper case, force save if name changes
201	set filetail [file tail $expfile]
202	set filetailcaps [string toupper $filetail]
203	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
204	set expgui(changed) 1
205	}
206	if {[file dirname $expfile] == "."} {
207	set expgui(expfile) $filetailcaps
208	} else {
209	set expgui(expfile) [file join \
210	[file dirname $expfile] $filetailcaps]
211	}
212
213	mapexp
214	set expgui(expModifiedLast) 0
215	catch {
216	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
217	}
218	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
219	# set the window/icon title
220	wm title . $expfile
221	set expgui(titleunchanged) 1
222	wm iconname . [file tail $expfile]
223
224	# set the number of phases on the phase page
225	setphases
226
227	# disable the "global options" that don't make sense based
228	# on the histograms present
229	foreach num {1 2 3 4 5} {
230	set flag($num) 0
231	}
232	foreach h $expmap(powderlist) {
233	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
234	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
235	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
236	[histinfo $h lam2] != 0.0} {set flag(3) 1}
237	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
238	[histinfo $h lam2] == 0.0} {set flag(4) 1}
239	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
240	}
241	foreach num {1 2 3 4 5} \
242	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
243	"Energy Disp Xray"} {
244	if $flag($num) {
245	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
246	} else {
247	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
248	}
249	}
250	# disable traces on entryvar until we are ready
251	set entrycmd(trace) 0
252	trace vdelete entryvar w entvartrace
253
254	# propogate changes on the least squares page
255	set entryvar(cycles) [expinfo cycles]
256	set entrycmd(cycles) "expinfo cycles"
257	# set expgui(globalmode) 0
258	set expgui(printopt) "Print Options ([expinfo print])"
259	set entryvar(title) [expinfo title]
260	global printopts
261	foreach num [array names printopts] {
262	set entrycmd(printopt$num) "printsetting $num"
263	set entryvar(printopt$num) [printsetting $num]
264	}
265	# enable traces on entryvar
266	set entrycmd(trace) 1
267	trace variable entryvar w entvartrace
268
269	# set fo extraction on LS page
270	SetupExtractHist
271
272	# update the histogram list & the page, if shown
273	sethistlist
274
275	# update the atoms display
276	# DisplayAllAtoms noreset
277	SelectOnePhase $expgui(curPhase)
278
279	# start checking for external changes
280	afterawhile
281	}
282
283	# called to reread the .EXP file
284	proc rereadexp {expfile} {
285	global expgui
286	if $expgui(changed) {
287	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
288	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
289	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
290	switch $decision {
291	0 { savearchiveexp }
292	1 { }
293	2 { return }
294	}
295	}
296	loadexp $expgui(expfile)
297	}
298
299	proc SaveAsFile {} {
300	global expgui
301	set newexpfile [getExpFileName new]
302	if {$newexpfile == ""} return
303	expwrite $newexpfile
304	set expgui(expfile) $newexpfile
305	catch {cd [string trim [file dirname $expgui(expfile)]]}
306	set expgui(changed) 0
307	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
308	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
309	# set the window/icon title
310	wm title . $expgui(expfile)
311	set expgui(titleunchanged) 1
312	wm iconname . [file tail $expgui(expfile)]
313	}
314
315	# called to read a different .EXP file
316	proc readnewexp {} {
317	global expgui expmap
318	if $expgui(changed) {
319	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
320	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
321	{} 0 "Save and read" "Read without Save" "Cancel read command"]
322	switch $decision {
323	0 { savearchiveexp }
324	1 { }
325	2 { return }
326	}
327	}
328	set newexpfile [getExpFileName old]
329	if {$newexpfile == ""} return
330
331	# switch to the 1st page
332	RaisePage lsFrame
333
334	if ![file exists $newexpfile] {
335	# you've been warned this .EXP does not exist!
336	# create an "empty" exp file
337	createexp $newexpfile \
338	[getstring "title for experiment $newexpfile" 60 0]
339	}
340	set expgui(expfile) $newexpfile
341	catch {cd [string trim [file dirname $expgui(expfile)]]}
342	set expgui(globalmode) 0
343	loadexp $expgui(expfile)
344
345	# select the 1st phase
346	SelectOnePhase [lindex $expmap(phaselist) 0]
347	# select the first histogram in the list by default (if there are any)
348	if {[llength $expmap(histlistboxcontents)] > 0} {
349	set expgui(curhist) 0
350	} else {
351	set expgui(curhist) {}
352	}
353	if {[CountHistory] > 100} {
354	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
355	}
356	}
357
358	#------------- set up data read/write layer ----------------------
359	# trace routine on entryvar
360	proc entvartrace {array elem action} {
361	global expgui entrycmd entryvar
362	if !$entrycmd(trace) return
363
364	catch {
365	if {$entrycmd($elem) == ""} return
366	incr expgui(changed)
367	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
368	if {$entrycmd($elem) == ""} return
369	if [catch {
370	eval $entrycmd($elem) set [list $entryvar($elem)]
371	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
372	after idle {DisplayAllAtoms noreset}
373	}
374	} errmsg] {puts "entvartrace error: $errmsg"}
375	}
376	}
377
378	# disable traces on entryvar until we are ready
379	set entrycmd(trace) 0
380	trace variable entryvar w entvartrace
381
382	#
383	#
384	#
385	##############################################################################
386	##### #####################################################
387	##### PROCEDURES SECTION #####################################################
388	##### #####################################################
389	##############################################################################
390	# reset routine is used for debugging
391	proc reset {} {
392	global expgui script argv
393	set script $expgui(script)
394	set argv $expgui(expfile)
395	# remove traces
396	global entryvar
397	foreach cmd [trace vinfo entryvar] {
398	eval trace vdelete entryvar $cmd
399	}
400	global expgui
401	foreach cmd [trace vinfo expgui(backterms)] {
402	eval trace vdelete entryvar $cmd
403	}
404	foreach cmd [trace vinfo expgui(backtype)] {
405	eval trace vdelete entryvar $cmd
406	}
407	foreach a {
408	expmap expgui entryvar entrycmd
409	expgui_menulist expgui_cmdlist expgui_helplist
410	} {
411	global $a
412	catch {unset $a}
413	}
414	foreach w [winfo children .] {
415	destroy $w
416	}
417
418	uplevel #0 {source $script}
419	}
420
421	# save some of the global options in ~/.gsas_config
422	proc SaveOptions {} {
423	global expgui env tcl_platform
424	set fp [open [file join ~ .gsas_config] a]
425	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
426	puts $fp "set expgui($item) $expgui($item)"
427	}
428	if {$tcl_platform(platform) != "windows"} {
429	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
430	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
431	}
432	close $fp
433	}
434
435	proc About { } {
436	global expgui expmap
437	tk_dialog .about {About...} \
438	"EXPGUI\n\
439	Jonathan Wasserman and Brian Toby\n\
440	NIST Center for Neutron Research\n\n\
441	1998, Not subject to copyright\n\n\
442	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
443	Generalized Structure Analysis System (GSAS)\n\
444	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
445	" \
446	info 0 OK
447	}
448
449	# wait until idle
450	proc afterawhile {} {
451	# cancel any other instances of this loop
452	after cancel afterawhile
453	after cancel whenidle
454	after cancel whenidle
455	after idle whenidle
456	}
457
458	# This is called every 2 seconds to check for changes to the .EXP file
459	proc whenidle {} {
460	global expgui
461	if $expgui(titleunchanged) {
462	if {$expgui(changed) != 0} {
463	wm title . "$expgui(expfile) (modified)"
464	set expgui(titleunchanged) 0
465	}
466	}
467	if {$expgui(expModifiedLast) == 0} {
468	after 2000 afterawhile
469	return
470	}
471	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
472	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
473	if {$ans == 0} {
474	loadexp $expgui(expfile)
475	} elseif {$ans == 1} {
476	# reset the time to the next version
477	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
478	} elseif {$ans == 2} {
479	savearchiveexp
480	}
481	}
482	after 2000 afterawhile
483	}
484
485	# place a message about changes over the main window
486	proc ReloadExpMsg {file changes} {
487	global expgui tcl_platform
488	set msg "File $file has been modified by another program"
489	if {$changes == 1} {
490	append msg " and you have made a change to this version.\n"
491	} elseif {$changes > 0} {
492	append msg " and you have made $changes changes to this version.\n"
493	} else {
494	append msg ".\n"
495	}
496	append msg "Do you want to load the newer version or lose the modification by editing the current version?"
497	set w .ask
498	catch {destroy $w}
499	toplevel $w -class Dialog
500	wm title $w "Reload?"
501	wm iconname $w "Reload?"
502	wm protocol $w WM_DELETE_WINDOW { }
503	wm transient $w .
504	frame $w.bot
505	pack $w.bot -side bottom
506	frame $w.top
507	pack $w.top -side top -fill both -expand 1
508	label $w.top.msg -justify left \
509	-wraplength 5i -font {Times 18} \
510	-text $msg
511	if {$tcl_platform(platform) == "windows"} {
512	$w.top.msg config -font {Times 14}
513	}
514	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
515	pack [button $w.bot.1 -text "Load new" \
516	-default active -command "set expgui(dialogbutton) 0" \
517	] -side left -expand 1 -padx 3m -pady 2m
518	pack [button $w.bot.2 -text "Continue editing" \
519	-command "set expgui(dialogbutton) 1"] \
520	-side left -expand 1 -padx 3m -pady 2m
521	if {$changes > 0} {
522	pack [button $w.bot.3 -text "Save edited version" \
523	-command "set expgui(dialogbutton) 2"] \
524	-side left -expand 1 -padx 3m -pady 2m
525	}
526	# Create a binding for <Return> on the dialog
527	bind $w <Return> "tkButtonInvoke $w.bot.1"
528	wm withdraw $w
529	update idletasks
530
531	# for windows put the box in the upper left, for
532	# unix center it over the parent (in unix it appears later)
533	#if {$tcl_platform(platform) == "windows"} {
534	#wm geom $w +0+0
535	#} else {
536
537	# for now, always center the message over the main window
538	# center the new window in the middle of the parent
539	set x [expr [winfo x .] + [winfo width .]/2 - \
540	[winfo reqwidth $w]/2 - [winfo vrootx .]]
541	set y [expr [winfo y .] + [winfo height .]/2 - \
542	[winfo reqheight $w]/2 - [winfo vrooty .]]
543	wm geom $w +$x+$y
544	#}
545	wm deiconify $w
546
547	# Grab the focus
548	set oldFocus [focus]
549	set oldGrab [grab current $w]
550	if {[string compare $oldGrab ""]} {
551	set grabStatus [grab status $oldGrab]
552	}
553	grab $w
554	focus $w.bot.1
555	# for windows rearrange window stacking
556	if {$tcl_platform(platform) == "windows"} {
557	lower .
558	raise $w .
559	}
560	update idletasks
561
562	tkwait variable expgui(dialogbutton)
563	catch {focus $oldFocus}
564	destroy $w
565	if {[string compare $oldGrab ""]} {
566	if {![string compare $grabStatus "global"]} {
567	grab -global $oldGrab
568	} else {
569	grab $oldGrab
570	}
571	}
572	raise .
573	return $expgui(dialogbutton)
574	}
575
576	# -------- called to confirm before exiting
577	proc catchQuit {} {
578	if {[confirmBeforeSave] == "Continue"} {
579	destroy .
580	}
581	}
582	# save the .EXP file before exiting?
583	proc confirmBeforeSave {} {
584	global expgui
585	if !$expgui(changed) {
586	return "Continue"
587	}
588	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
589	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
590	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
591	switch $decision {
592	0 { savearchiveexp; return "Continue" }
593	1 { return "Continue" }
594	2 { return "Cancel" }
595	}
596	}
597
598	proc archiveexp {} {
599	global expgui tcl_platform
600	# is there a file to archive
601	if {![file exists $expgui(expfile)]} return
602	catch {
603	set expnam [file rootname $expgui(expfile)]
604	if {$tcl_platform(platform) == "windows"} {
605	set version -1
606	catch {source $expnam.version}
607	incr version
608	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
609	# archive w/o pkzip
610	set file $expnam![format "%3.3d" $version].EXP
611	file copy -force $expnam.EXP $file
612	set fp [open $expnam.lst a]
613	puts $fp "\n--------------------------------------------------------------"
614	puts $fp "Archiving $expnam.EXP as $file"
615	puts $fp "--------------------------------------------------------------\n"
616	close $fp
617	} else {
618	# archive with PKZIP
619	# need to limit expnam to 8 characters
620	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
621	# PKZIP can't handle long dir names either
622	cd [set dir [file dirname $expnam]]
623	set file $sexp.[format "%3.3d" $version]
624	file copy -force $expnam.EXP $file
625	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
626	set fp [open $expnam.lst a]
627	puts $fp "\n--------------------------------------------------------------"
628	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
629	puts $fp "--------------------------------------------------------------\n"
630	close $fp
631	}
632	set fp [open $expnam.version w]
633	puts $fp "set version $version"
634	close $fp
635	} else {
636	set files [glob -nocomplain $expnam.EXP.*]
637	if {$files == ""} {
638	set file $expnam.EXP.000
639	} else {
640	set file [lindex [lsort -decreasing $files] 0]
641	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
642	incr number
643	set file $expnam.EXP.[format "%3.3d" $number]
644	}
645	exec cp $expgui(expfile) $file
646	if [catch {exec gzip $file}] {
647	exec echo "\n----------------------------------------------" >> $expnam.LST
648	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
649	exec echo "----------------------------------------------\n" >> $expnam.LST
650	} else {
651	exec echo "\n----------------------------------------------" >> $expnam.LST
652	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
653	exec echo "----------------------------------------------\n" >> $expnam.LST
654	}
655	}
656	} errmsg
657	if {$errmsg != ""} {
658	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
659	}
660	}
661
662	# save and optionally archive the expfile
663	proc savearchiveexp {} {
664	global expgui expmap
665	if !$expgui(changed) return
666	if $expgui(archive) archiveexp
667	# add a history record
668	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
669	# now save the file
670	expwrite $expgui(expfile)
671	set expgui(changed) 0
672	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
673	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
674	wm title . $expgui(expfile)
675	set expgui(titleunchanged) 1
676	}
677
678	# setup buttons for each phase on the phase page
679	proc setphases {} {
680	global expgui expmap
681	eval destroy [winfo children $expgui(phaseFrame).top.ps]
682	foreach num $expmap(phaselist) type $expmap(phasetype) {
683	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
684	-command "SelectOnePhase $num"] -side left
685	if {$type > 3} {
686	$expgui(phaseFrame).top.ps.$num config -state disabled
687	}
688	}
689	}
690
691	# Procedure to respond to changes the phase.
692	# This loads the "phases" widgets with data corresponding to the selected phase.
693	proc SelectOnePhase {num} {
694	global entryvar entrycmd expmap expgui
695	set crsPhase {}
696	foreach n $expmap(phaselist) type $expmap(phasetype) {
697	if {$n == $num && $type <= 3} {
698	$expgui(phaseFrame).top.ps.$num config -relief sunken
699	set crsPhase $num
700	if {$type == 3} {
701	set expgui(phasetype) "Magnetic\nOnly"
702	} elseif {$type == 2} {
703	set expgui(phasetype) "Magnetic\n& Nuclear"
704	} elseif {$type == 4} {
705	# this is not used at present
706	set expgui(phasetype) "Macromolecular"
707	} else {
708	set expgui(phasetype) ""
709	}
710	} else {
711	$expgui(phaseFrame).top.ps.$n config -relief raised
712	}
713	}
714	# no phase is selected
715	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
716	# disable traces on entryvar
717	set entrycmd(trace) 0
718	set entrycmd(phasename) ""
719	set entryvar(phasename) ""
720	foreach ent {a b c alpha beta gamma cellref celldamp} {
721	set entrycmd($ent) ""
722	set entryvar($ent) ""
723	}
724	set expgui(curPhase) {}
725	# enable traces on entryvar
726	set entrycmd(trace) 1
727	$expgui(EditingAtoms) config -text ""
728	DisplayAtom 0 0
729	DisplayU 0 0
730	DisplayRefFlags 0 0
731	$expgui(atomlistbox) delete 0 end
732	return
733	}
734
735	set expgui(curPhase) $crsPhase
736	# we have a phase
737
738	# disable traces on entryvar for right now
739	set entrycmd(trace) 0
740
741	##########################################################
742	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
743	##########################################################
744	# phase title
745	set entrycmd(phasename) "phaseinfo $crsPhase name"
746	set entryvar(phasename) [phaseinfo $crsPhase name]
747	# cell parameters & flags
748	foreach ent {a b c alpha beta gamma cellref celldamp} {
749	set entrycmd($ent) "phaseinfo $crsPhase $ent"
750	set entryvar($ent) [phaseinfo $crsPhase $ent]
751	}
752
753	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
754	# initialize to diasbled
755	DisplayAtom 0 0
756	DisplayU 0 0
757	DisplayRefFlags 0 0
758	$expgui(EditingAtoms) config -text ""
759
760	DisplayAllAtoms
761
762	# enable traces on entryvar now
763	set entrycmd(trace) 1
764	}
765
766	set expgui(noreenterDisplayAllAtoms) 0
767	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
768	proc DisplayAllAtoms {"mode reset"} {
769	global entryvar entrycmd expmap expgui
770	# if it does not show, dont bother
771	if {$expgui(pagenow) != "phaseFrame"} return
772	if {$expgui(curPhase) == ""} return
773	if $expgui(noreenterDisplayAllAtoms) return
774
775	set expgui(noreenterDisplayAllAtoms) 1
776	if {$mode != "reset"} {
777	# save the scrolled position
778	set pos [lindex [$expgui(atomlistbox) yview] 0]
779	} else {
780	# this is a reset -- clear the selected atoms list
781	set expgui(selectedatomlist) {}
782	}
783	$expgui(atomlistbox) delete 0 end
784	# loop over atoms
785	set maxline I
786	set phase $expgui(curPhase)
787	set atomlist {}
788	if {$expgui(asorttype) == "type"} {
789	# sort on atom type
790	foreach atom $expmap(atomlist_$phase) {
791	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
792	}
793	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
794	} elseif {$expgui(asorttype) == "number"} {
795	# sort on atom number
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) == "x"} {
801	# sort on x
802	foreach atom $expmap(atomlist_$phase) {
803	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
804	}
805	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
806	} elseif {$expgui(asorttype) == "y"} {
807	# sort on y
808	foreach atom $expmap(atomlist_$phase) {
809	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
810	}
811	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
812	} elseif {$expgui(asorttype) == "z"} {
813	# sort on z
814	foreach atom $expmap(atomlist_$phase) {
815	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
816	}
817	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
818	} else {
819	error "Bad expgui(asorttype = $expgui(asorttype)"
820	}
821
822	foreach tuple $expmap(atomlistboxcontents) {
823	set atom [lindex $tuple 0]
824	set phase [lindex $tuple 2]
825	set refflag {}
826	foreach type {x u f} {
827	if {[atominfo $phase $atom ${type}ref]} {
828	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
829	} else {
830	append refflag " [atominfo $phase $atom ${type}damp] "
831	}
832	}
833	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
834	$atom \
835	[atominfo $phase $atom label] \
836	[atominfo $phase $atom type] \
837	$refflag \
838	[atominfo $phase $atom x] \
839	[atominfo $phase $atom y] \
840	[atominfo $phase $atom z] \
841	[atominfo $phase $atom frac]
842	]
843	# add temperature factors (iso/anoiso)
844	if {[atominfo $phase $atom temptype] == "A"} {
845	set maxline A
846	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
847	[atominfo $phase $atom U11] \
848	[atominfo $phase $atom U22] \
849	[atominfo $phase $atom U33] \
850	[atominfo $phase $atom U12] \
851	[atominfo $phase $atom U23] \
852	[atominfo $phase $atom U13]
853	]
854	} else {
855	append line [format " %9.5f" \
856	[atominfo $phase $atom Uiso]
857	]
858	}
859	$expgui(atomlistbox) insert end $line
860	}
861	$expgui(atomtitle) delete 0 end
862	if {$maxline == "A"} {
863	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
864	" name " "type " "ref/damp " "fractional coordinates " \
865	" Occupancy" \
866	"Uiso/Uij "]
867	} else {
868	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
869	" name " "type " "ref/damp " "fractional coordinates " \
870	" Occupancy" \
871	"Uiso"]
872	}
873	if {$mode != "reset"} {
874	# restore the selected items
875	foreach i $expgui(selectedatomlist) {
876	$expgui(atomlistbox) selection set $i
877	}
878	# restore the last scrolled position
879	$expgui(atomlistbox) yview moveto $pos
880	}
881	set expgui(noreenterDisplayAllAtoms) 0
882	}
883
884	# Procedure to select all atoms in response to a right-click
885	proc SelectAllAtoms {} {
886	global expgui
887	$expgui(atomlistbox) selection set 0 end
888	# call editRecord in case trace was called before the selection was made
889	editRecord
890	}
891
892	# Procedure to respond to left mouse release in the atoms Pane
893	proc editRecord { args } {
894	global entrycmd expgui
895	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
896	# disable traces on entryvar for right now
897	set entrycmd(trace) 0
898
899	if {[llength $expgui(selectedatomlist)] == 0} {
900	puts "How did this happen: [$expgui(atomlistbox) curselection]"
901	} elseif {[llength $expgui(selectedatomlist)] == 1} {
902	editOneRecord $expgui(selectedatomlist)
903	} else {
904	editMultipleRecords $expgui(selectedatomlist)
905	}
906	# reenable traces on entryvar
907	set entrycmd(trace) 1
908	# repaint the atoms box in case anything was changed
909	# DisplayAllAtoms noreset
910	}
911
912	proc editOneRecord { AtomIndex } {
913	global expmap expgui
914	# get atom number & phase
915	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
916	set atomnum [lindex $tuple 0]
917	set p [lindex $tuple 2]
918	DisplayU $atomnum $p
919	DisplayAtom $atomnum $p
920	DisplayRefFlags $atomnum $p
921	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
922	}
923
924	# this will not work for a multi-phase list of atoms (yet)
925	proc editMultipleRecords { AtomIndexList } {
926	global expmap expgui
927	set numberList {}
928	# current phase
929	set p $expgui(curPhase)
930	foreach AtomIndex $AtomIndexList {
931	# get atom number & phase
932	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
933	lappend numberList [lindex $tuple 0]
934	# set p [lindex $tuple 2]
935	}
936	# this needs to track by phase
937	$expgui(EditingAtoms) config -text \
938	"Set refinement options: atoms [CompressList $numberList]"
939	DisplayU 0 0
940	DisplayAtom 0 0
941	# this needs to track by phase
942	DisplayRefFlags $numberList $p
943	}
944
945	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
946	# becomes "1-4,6,7,13-15,19"
947	proc CompressList {numberList} {
948	# format the number list to save space
949	set lastnum -99
950	set flist {}
951	set count 0
952	foreach num [lsort -integer $numberList] {
953	set next [expr $lastnum+1]
954	if {$num != $next} {
955	if {$count == 0 && $flist != ""} {
956	append flist ",$num"
957	} elseif {$count == 1 && $flist != ""} {
958	append flist ",$lastnum,$num"
959	} elseif {$flist != ""} {
960	append flist "-$lastnum,$num"
961	} else {
962	append flist "$num"
963	}
964	set lastnum $num
965	set count 0
966	} else {
967	incr count
968	incr lastnum
969	}
970	}
971	if {$count == 1 && $flist != ""} {
972	append flist ",$lastnum"
973	} elseif {$flist != "" && $count > 1} {
974	append flist "-$lastnum"
975	}
976	return $flist
977	}
978
979	# Procedure to display Isotropic or Anisotropic temperature factors
980	# Changes the display to one entry widget for Isotropic motion OR
981	# 6 entry widgets for Anisotropic motion in Frame3.
982	# or disables the widet entirly if atom = 0
983	proc DisplayU { atomnum p} {
984	global expgui entryvar entrycmd
985	if {$atomnum == 0} {
986	set iOrA disable
987	} else {
988	set iOrA [atominfo $p $atomnum temptype]
989	}
990
991	set firstbox [lindex $expgui(anisolabels) 0]
992	if { $iOrA == "A" } {
993	$firstbox config -text "U11 "
994	foreach item $expgui(anisolabels) {
995	$item config -fg black
996	}
997	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
998	set entrycmd($var) "atominfo $p $atomnum $var"
999	set entryvar($var) [eval $entrycmd($var)]
1000	$item config -fg black -state normal -bg white
1001	}
1002	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1003	foreach item $expgui(anisolabels) {
1004	# $item config -fg grey
1005	$item config -fg beige
1006	}
1007	foreach item [lrange $expgui(anisoentry) 1 end] \
1008	var {U22 U33 U12 U13 U23} {
1009	set entrycmd($var) ""
1010	set entryvar($var) ""
1011	$item config -fg beige -bg beige -state disabled
1012	}
1013	if { $iOrA == "disable"} {
1014	set entrycmd($var) ""
1015	set entryvar($var) ""
1016	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1017	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1018	} else {
1019	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1020	set entryvar(U11) [eval $entrycmd(U11)]
1021	$firstbox config -text Uiso -fg black
1022	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1023	}
1024	}
1025	}
1026
1027	# need to think about multiple phases
1028
1029	# Procedure to display refinement flags
1030	proc DisplayRefFlags { atomnum p} {
1031	global expgui entryvar entrycmd
1032	if {$atomnum == 0} {
1033	foreach label $expgui(atomreflbl) {
1034	$label config -fg beige
1035	}
1036	foreach entry $expgui(atomref) {
1037	$entry config -state disabled -fg beige -bg beige
1038	}
1039	return
1040	}
1041	foreach label $expgui(atomreflbl) {
1042	$label config -fg black
1043	}
1044	foreach entry $expgui(atomref) {
1045	$entry config -state normal -fg black -bg beige
1046	}
1047	foreach var {xref uref fref xdamp udamp fdamp} {
1048	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1049	set entryvar($var) [eval $entrycmd($var)]
1050	}
1051	}
1052
1053	# Procedure to display an atom in the atom edit boxes
1054	proc DisplayAtom { atomnum p} {
1055	global expgui entryvar entrycmd
1056	if {$atomnum == 0} {
1057	foreach label $expgui(atomlabels) {
1058	$label config -fg beige
1059	}
1060	foreach entry $expgui(atomentry) {
1061	$entry config -state disabled -fg beige -bg beige
1062	}
1063	return
1064	}
1065	foreach label $expgui(atomlabels) {
1066	$label config -fg black
1067	}
1068	foreach entry $expgui(atomentry) {
1069	$entry config -state normal -fg black -bg white
1070	}
1071	foreach var {x y z label frac } {
1072	set entrycmd($var) "atominfo $p $atomnum $var"
1073	set entryvar($var) [eval $entrycmd($var)]
1074	}
1075	}
1076
1077	# update the histogram list
1078	# to do: show histogram ref flags?
1079	proc sethistlist {} {
1080	global expgui expmap
1081	foreach lbox $expgui(HistSelectList) {
1082	$lbox.title delete 0 end
1083	$lbox.lbox delete 0 end
1084	if {$expgui(globalmode) != 0} {
1085	$lbox.lbox config -selectmode extended
1086	} else {
1087	$lbox.lbox config -selectmode browse
1088	}
1089	}
1090	# disable the unallowed pages in all mode
1091	if {$expgui(globalmode) == 6} {
1092	foreach pair $expgui(GlobalModeAllDisable) {
1093	if {$expgui(pagenow) == [lindex $pair 0]} {
1094	RaisePage lsFrame
1095	}
1096	eval [lindex $pair 1] -state disabled
1097	}
1098	} else {
1099	foreach pair $expgui(GlobalModeAllDisable) {
1100	eval [lindex $pair 1] -state normal
1101	}
1102	}
1103	set histlist {}
1104	if {$expgui(hsorttype) == "type"} {
1105	# sort on histogram type
1106	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1107	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1108	}
1109	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1110	} elseif {$expgui(hsorttype) == "number"} {
1111	# sort on histogram number
1112	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1113	lappend histlist "$h $h"
1114	}
1115	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1116	} elseif {$expgui(hsorttype) == "bank"} {
1117	# sort on original bank number
1118	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1119	lappend histlist "$h [histinfo $h bank]"
1120	}
1121	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1122	} elseif {$expgui(hsorttype) == "angle"} {
1123	# sort on wavelength (CW) or angle (E disp.)
1124	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1125	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1126	set det [format %8.2f [histinfo $h tofangle]]
1127	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1128	set det [format %8.5f [histinfo $h lam1]]
1129	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1130	set det [format %8.2f [histinfo $h lam1]]
1131	} else {
1132	set det {}
1133	}
1134	lappend histlist "$h $det"
1135	}
1136	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1137	}
1138
1139	# title field needs to match longest title
1140	foreach lbox $expgui(HistSelectList) {
1141	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1142	"h#" \
1143	type \
1144	bank \
1145	"ang/wave" \
1146	" title" \
1147	]
1148	}
1149	foreach tuple $expmap(histlistboxcontents) {
1150	set h [lindex $tuple 0]
1151
1152	if {$expgui(globalmode) == 1} {
1153	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1154	} elseif {$expgui(globalmode) == 2} {
1155	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1156	} elseif {$expgui(globalmode) == 3} {
1157	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1158	[histinfo $h lam2] == 0.0} continue
1159	} elseif {$expgui(globalmode) == 4} {
1160	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1161	[histinfo $h lam2] != 0.0} continue
1162	} elseif {$expgui(globalmode) == 5} {
1163	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1164	}
1165
1166	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1167	set det [format %8.2f [histinfo $h tofangle]]
1168	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1169	set det [format %8.5f [histinfo $h lam1]]
1170	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1171	set det [format %8.2f [histinfo $h lam1]]
1172	} else {
1173	set det {}
1174	}
1175	foreach lbox $expgui(HistSelectList) {
1176	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1177	$h \
1178	[string range $expmap(htype_$h) 1 2] \
1179	[histinfo $h bank] \
1180	$det \
1181	[string range [histinfo $h title] 0 66] \
1182	]
1183	}
1184	}
1185	foreach set $expgui(frameactionlist) {
1186	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1187	}
1188	}
1189
1190	#-----------------------------------------------------------------------
1191	# ----------- draw Histogram page
1192	#-----------------------------------------------------------------------
1193	proc DisplayHistogram {} {
1194	global expgui entrycmd entryvar expmap
1195
1196	# trap if more than one histogram is selected unless global mode
1197	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1198	set expgui(curhist) [lindex $expgui(curhist) 0]
1199	}
1200
1201	# display the selected histograms
1202	$expgui(histFrame).hs.lbox selection clear 0 end
1203	foreach h $expgui(curhist) {
1204	$expgui(histFrame).hs.lbox selection set $h
1205	}
1206
1207	# disable traces on entryvar for right now
1208	set entrycmd(trace) 0
1209
1210	# get histogram list
1211	set histlist {}
1212	foreach item $expgui(curhist) {
1213	lappend histlist [lindex $expmap(powderlist) $item]
1214	}
1215	# must have at least one histogram selected here
1216	if {[llength $histlist] == 0} {
1217	set expgui(backtermlbl) ""
1218	set expgui(backtypelbl) ""
1219	foreach var {bref bdamp} {
1220	set entrycmd($var) ""
1221	set entryvar($var) ""
1222	}
1223	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1224	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1225	set expgui(bkglbl) ""
1226	eval destroy [winfo children $expgui(diffBox)]
1227	set entrycmd(trace) 1
1228	return
1229	}
1230
1231	if {$expgui(globalmode) != 0} {
1232	set expgui(backtermlbl) ""
1233	set expgui(backtypelbl) ""
1234	foreach var {bref bdamp} {
1235	set entrycmd($var) "histinfo [list $histlist] $var"
1236	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1237	}
1238	} else {
1239	set hist $histlist
1240	set terms [histinfo $hist backterms]
1241	set expgui(backtermlbl) "($terms terms)"
1242	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1243	foreach var {bref bdamp} {
1244	set entrycmd($var) "histinfo $hist $var"
1245	set entryvar($var) [eval $entrycmd($var)]
1246	}
1247	}
1248	# Top box
1249	if {$expgui(globalmode) != 0} {
1250	$expgui(histFrame).top.txt config \
1251	-text "Selected Histograms: [CompressList $histlist]"
1252	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1253	set expgui(bkglbl) "Globally Edit Background"
1254	} else {
1255	grid forget $expgui(histFrame).top
1256	set expgui(bkglbl) "Edit Background"
1257	}
1258
1259	# diffractometer constants
1260	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1261	wref pref dcref daref ratref ttref zref } {
1262	set entrycmd($var) "histinfo [list $histlist] $var"
1263	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1264	}
1265
1266	eval destroy [winfo children $expgui(diffBox)]
1267	if {$expgui(globalmode) == 0} {
1268	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1269	#------
1270	# TOF \|
1271	#------
1272	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1273	-column 1 -row 1
1274	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1275	-column 2 -row 1
1276	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1277	-column 3 -row 1 -sticky w
1278	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1279	-width 15 ] -column 4 -row 1
1280	#
1281	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1282	-column 1 -row 2
1283	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1284	-column 2 -row 2
1285	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1286	-column 3 -row 2
1287	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1288	-width 15 ] -column 4 -row 2
1289	#
1290	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1291	-column 3 -row 3
1292	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1293	-width 15 ] -column 4 -row 3
1294	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1295	-column 1 -row 3 -sticky w
1296	grid [ checkbutton $expgui(diffBox).rfDCzref \
1297	-variable entryvar(zref) ] -column 2 -row 3
1298	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1299	#---------------
1300	# CW - neutron \|
1301	#---------------
1302	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1303	-column 1 -row 1
1304	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1305	-column 2 -row 1
1306	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1307	-column 3 -row 1 -sticky w
1308	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1309	-width 15 ] -column 4 -row 1
1310	#
1311	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1312	-column 1 -row 3 -sticky w
1313	grid [ checkbutton $expgui(diffBox).rfDCzref \
1314	-variable entryvar(zref) ] -column 2 -row 3
1315	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1316	-column 3 -row 3
1317	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1318	-width 15 ] -column 4 -row 3
1319	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1320	[histinfo $hist lam2] == 0.0} {
1321	#--------------------------
1322	# CW - x-ray 1 wavelength \|
1323	#--------------------------
1324	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1325	-column 1 -row 1
1326	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1327	-column 2 -row 1
1328	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1329	-column 3 -row 1 -sticky w
1330	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1331	-width 15 ] -column 4 -row 1
1332	#
1333	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1334	-column 1 -row 3 -sticky w
1335	grid [ checkbutton $expgui(diffBox).rfDCzref \
1336	-variable entryvar(zref) ] -column 2 -row 3
1337	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1338	-column 3 -row 3
1339	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1340	-width 15 ] -column 4 -row 3
1341	#
1342	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1343	-column 1 -row 4 -sticky w
1344	grid [ checkbutton $expgui(diffBox).rfDCpref \
1345	-variable entryvar(pref) ] -column 2 -row 4
1346	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1347	-column 3 -row 4
1348	grid [ entry $expgui(diffBox).eDCpola \
1349	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1350	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1351	-column 5 -row 4
1352	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1353	-textvariable entryvar(ipola)] -column 6 -row 4
1354	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1355	#---------------------------
1356	# CW - x-ray 2 wavelengths \|
1357	#---------------------------
1358	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1359	-column 3 -row 1 -sticky w
1360	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1361	-width 15 ] -column 4 -row 1
1362	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1363	-width 15 ] -column 5 -row 1
1364	#
1365	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1366	-column 1 -row 2 -sticky w
1367	grid [ checkbutton $expgui(diffBox).rfDCrref \
1368	-variable entryvar(ratref) ] -column 2 -row 2
1369	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1370	-column 3 -row 2
1371	grid [ entry $expgui(diffBox).eDCkratio \
1372	-textvariable entryvar(kratio) \
1373	-width 15 ] -column 4 -row 2
1374	#
1375	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1376	-column 3 -row 3
1377	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1378	-width 15 ] -column 4 -row 3
1379	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1380	-column 1 -row 3 -sticky w
1381	grid [ checkbutton $expgui(diffBox).rfDCzref \
1382	-variable entryvar(zref) ] -column 2 -row 3
1383	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1384	-column 1 -row 4 -sticky w
1385	grid [ checkbutton $expgui(diffBox).rfDCpref \
1386	-variable entryvar(pref) ] -column 2 -row 4
1387	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1388	-column 3 -row 4
1389	grid [ entry $expgui(diffBox).eDCpola \
1390	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1391	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1392	-column 5 -row 4
1393	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1394	-textvariable entryvar(ipola)] -column 6 -row 4
1395	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1396	#-------------
1397	# ED - x-ray \|
1398	#-------------
1399	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1400	-column 1 -row 1
1401	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1402	-column 2 -row 1
1403	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1404	-column 3 -row 1 -sticky w
1405	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1406	-width 15 ] -column 4 -row 1
1407	#
1408	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1409	-column 1 -row 4 -sticky w
1410	grid [ checkbutton $expgui(diffBox).rfDCpref \
1411	-variable entryvar(pref) ] -column 2 -row 4
1412	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1413	-column 3 -row 4
1414	grid [ entry $expgui(diffBox).eDCpola \
1415	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1416	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1417	-column 5 -row 4
1418	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1419	-textvariable entryvar(ipola)] -column 6 -row 4
1420	}
1421	} elseif {$expgui(globalmode) == 1} {
1422	#-------------
1423	# Global TOF \|
1424	#-------------
1425	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1426	-column 1 -row 1
1427	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1428	-column 2 -row 1
1429	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1430	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1431	#
1432	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1433	-column 1 -row 2
1434	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1435	-column 2 -row 2
1436	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1437	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1438	#
1439	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1440	-column 1 -row 3 -sticky w
1441	grid [ checkbutton $expgui(diffBox).rfDCzref \
1442	-variable entryvar(zref) ] -column 2 -row 3
1443	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1444	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1445	} elseif {$expgui(globalmode) == 2} {
1446	#--------------------
1447	# Global CW neutron \|
1448	#--------------------
1449	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1450	-column 1 -row 1
1451	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1452	-column 2 -row 1
1453	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1454	-command "editglobalparm histinfo lam1 Wavelength"] \
1455	-column 3 -row 1
1456	#
1457	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1458	-column 1 -row 3 -sticky w
1459	grid [ checkbutton $expgui(diffBox).rfDCzref \
1460	-variable entryvar(zref) ] -column 2 -row 3
1461	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1462	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1463	} elseif {$expgui(globalmode) == 4} {
1464	#----------------------
1465	# Global CW mono xray \|
1466	#----------------------
1467	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1468	-column 1 -row 1
1469	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1470	-column 2 -row 1
1471	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1472	-command "editglobalparm histinfo lam1 Wavelength"] \
1473	-column 3 -row 1
1474	#
1475	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1476	-column 1 -row 3 -sticky w
1477	grid [ checkbutton $expgui(diffBox).rfDCzref \
1478	-variable entryvar(zref) ] -column 2 -row 3
1479	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1480	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1481	#
1482	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1483	-column 1 -row 4 -sticky w
1484	grid [ checkbutton $expgui(diffBox).rfDCpref \
1485	-variable entryvar(pref) ] -column 2 -row 4
1486	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1487	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1488	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1489	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1490	} elseif {$expgui(globalmode) == 3} {
1491	#------------------------
1492	# Global alpha 1,2 xray \|
1493	#------------------------
1494	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1495	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1496	-column 3 -row 1
1497	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1498	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1499	-column 4 -row 1
1500	#
1501	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1502	-column 1 -row 3 -sticky w
1503	grid [ checkbutton $expgui(diffBox).rfDCratref \
1504	-variable entryvar(ratref) ] -column 2 -row 3
1505	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1506	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1507	-column 3 -row 3
1508	#
1509	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1510	-column 1 -row 3 -sticky w
1511	grid [ checkbutton $expgui(diffBox).rfDCzref \
1512	-variable entryvar(zref) ] -column 2 -row 3
1513	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1514	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1515	#
1516	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1517	-column 1 -row 4 -sticky w
1518	grid [ checkbutton $expgui(diffBox).rfDCpref \
1519	-variable entryvar(pref) ] -column 2 -row 4
1520	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1521	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1522	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1523	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1524	} elseif {$expgui(globalmode) == 5} {
1525	#-----------------
1526	# Global ED xray \|
1527	#-----------------
1528	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1529	-column 1 -row 1
1530	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1531	-column 2 -row 1
1532	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1533	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1534	-column 3 -row 1
1535	#
1536	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1537	-column 1 -row 4 -sticky w
1538	grid [ checkbutton $expgui(diffBox).rfDCpref \
1539	-variable entryvar(pref) ] -column 2 -row 4
1540	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1541	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1542	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1543	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1544	}
1545	if {$expgui(globalmode) == 0} {
1546	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1547	-columnspan 2 -sticky e
1548	} else {
1549	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1550	-columnspan 2 -sticky e
1551	}
1552	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1553	-column 1 -row 1
1554	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1555	grid $expgui(diffBox).d.om -column 2 -row 1
1556	grid columnconfigure $expgui(diffBox) 9 -weight 1
1557	grid columnconfigure $expgui(diffBox) 0 -weight 1
1558	update idletasks
1559	# enable traces on entryvar now
1560	set entrycmd(trace) 1
1561	}
1562
1563	#-----------------------------------------------------------------------
1564	# populate the Scaling page
1565	#-----------------------------------------------------------------------
1566	proc DisplayFrac {} {
1567	global expgui entrycmd entryvar expmap
1568
1569	# trap if more than one histogram is selected unless global mode
1570	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1571	set expgui(curhist) [lindex $expgui(curhist) 0]
1572	}
1573
1574	# display the selected histograms
1575	$expgui(fracFrame).hs.lbox selection clear 0 end
1576	foreach h $expgui(curhist) {
1577	$expgui(fracFrame).hs.lbox selection set $h
1578	}
1579
1580	# disable traces on entryvar
1581	set entrycmd(trace) 0
1582
1583	# get histogram list
1584	set histlist {}
1585	foreach item $expgui(curhist) {
1586	lappend histlist [lindex $expmap(powderlist) $item]
1587	}
1588
1589	# must have at least one histogram selected here
1590	if {[llength $histlist] == 0} {
1591	foreach var {scale sref sdamp} {
1592	set entrycmd($var) ""
1593	set entryvar($var) ""
1594	}
1595	set parm [grid info $expgui(scaleBox).but1]
1596	if {$parm != ""} {
1597	grid forget $expgui(scaleBox).but1
1598	eval grid $expgui(scaleBox).ent1 $parm
1599	}
1600	# destroy the contents of the frame
1601	set phaseFractf1 $expgui(FracBox).f
1602	eval destroy [winfo children $phaseFractf1]
1603	# reenable traces on entryvar
1604	set entrycmd(trace) 1
1605	return
1606	}
1607
1608	#--------------
1609	# Scale factor
1610	#--------------
1611	if {$expgui(globalmode) != 0} {
1612	foreach var {scale sref sdamp} {
1613	set entrycmd($var) "histinfo [list $histlist] $var"
1614	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1615	}
1616	set parm [grid info $expgui(scaleBox).ent1]
1617	if {$parm != ""} {
1618	grid forget $expgui(scaleBox).ent1
1619	eval grid $expgui(scaleBox).but1 $parm
1620	}
1621	} else {
1622	set hist $histlist
1623	foreach var {scale sref sdamp} {
1624	set entrycmd($var) "histinfo $hist $var"
1625	set entryvar($var) [eval $entrycmd($var)]
1626	}
1627	set parm [grid info $expgui(scaleBox).but1]
1628	if {$parm != ""} {
1629	grid forget $expgui(scaleBox).but1
1630	eval grid $expgui(scaleBox).ent1 $parm
1631	}
1632	}
1633
1634	#----------------
1635	# Phase Fractions
1636	#----------------
1637	set phaseFractf1 $expgui(FracBox).f
1638	# destroy the contents of the frame
1639	eval destroy [winfo children $phaseFractf1]
1640	if {$expgui(globalmode) != 0} {
1641	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1642	} else {
1643	set txt "Phase Fractions"
1644	}
1645	if $expgui(haveBW) {
1646	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1647	} else {
1648	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1649	-column 0 -row 0 -sticky news
1650	}
1651	# Create the frame inside the canvas, One frame for each Phase.
1652	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1653	foreach hist $histlist {
1654	foreach i $expmap(phaselist_$hist) {
1655	lappend phasehistlist($i) $hist
1656	}
1657	}
1658	foreach i {1 2 3 4 5 6 7 8 9} {
1659	if {[llength $phasehistlist($i)] == 0} continue
1660	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1661	grid $framePF -column 0 -row $i -sticky ew
1662	# Label Heading for each phase.
1663	if {$expgui(globalmode) != 0} {
1664	grid [label $framePF.l1 \
1665	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1666	-column 0 -row 0 -sticky nws
1667	grid [button $framePF.but1 -text "Set Globally" \
1668	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1669	[list $phasehistlist($i)] $i" \
1670	] -column 1 -row 0
1671	} else {
1672	grid [label $framePF.l1 -text "Phase $i"] \
1673	-column 0 -row 0 -sticky nws
1674	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1675	-column 1 -row 0
1676	}
1677	set entrycmd(frac$i) "hapinfo $hist $i frac"
1678	set entryvar(frac$i) [hapinfo $hist $i frac]
1679	grid [label $framePF.l2 -text " Refine"] \
1680	-column 2 -row 0 -sticky nws
1681	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1682	-column 3 -row 0 -sticky nws
1683	set entrycmd(frref$i) "hapinfo $hist $i frref"
1684	set entryvar(frref$i) [hapinfo $hist $i frref]
1685	grid [label $framePF.l3 -text " Damping"] \
1686	-column 4 -row 0 -sticky nws
1687	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1688	0 1 2 3 4 5 6 7 8 9
1689	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1690	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1691	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1692	}
1693	# resize the scroll window to match the actual
1694	update idletasks
1695	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1696	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1697	update idletasks
1698	# enable traces on entryvar now
1699	set entrycmd(trace) 1
1700	}
1701
1702	#-----------------------------------------------------------------------
1703	# display the profile page
1704	#-----------------------------------------------------------------------
1705	proc DisplayProfile {} {
1706	global expgui entrycmd entryvar expmap
1707
1708	# trap if more than one histogram is selected unless global mode
1709	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1710	set expgui(curhist) [lindex $expgui(curhist) 0]
1711	}
1712	# display the selected histograms
1713	$expgui(profFrame).hs.lbox selection clear 0 end
1714	foreach h $expgui(curhist) {
1715	$expgui(profFrame).hs.lbox selection set $h
1716	}
1717
1718	# destroy the contents of the frame
1719	eval destroy [winfo children $expgui(ProfileBox).f]
1720
1721	if {$expgui(globalmode) == 0} {
1722	# must have at least one histogram selected here
1723	if {[llength $expgui(curhist)] == 0} return
1724	# disable traces on entryvar for right now
1725	set entrycmd(trace) 0
1726	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1727	# no defined histograms?
1728	if {$hist == ""} return
1729	# Create one frame for each Phase.
1730	set ind -1
1731	set htype [string range $expmap(htype_$hist) 2 2]
1732	foreach i $expmap(phaselist_$hist) {
1733	incr ind
1734	# Label Heading for each phase.
1735	set ptype [string trim [hapinfo $hist $i proftype]]
1736	if {$expgui(haveBW)} {
1737	grid [TitleFrame $expgui(ProfileBox).f.$i \
1738	-text "Hist $hist -- Phase $i (type $ptype)" \
1739	-relief groove -bd 2] \
1740	-column 0 -row $ind -sticky ew
1741	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1742	grid [frame $ProfileFrame.1] \
1743	-column 0 -row 0 -columnspan 10
1744	pack [label $ProfileFrame.1.l \
1745	-text Damping]\
1746	-side left
1747	} else {
1748	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1749	-column 0 -row $ind -sticky ew
1750	set ProfileFrame $expgui(ProfileBox).f.$i
1751	grid [frame $ProfileFrame.1] \
1752	-column 0 -row 0 -columnspan 10 -sticky ew
1753	pack [label $ProfileFrame.1.l \
1754	-text "Phase $i (type $ptype) Damping"]\
1755	-side left
1756	}
1757	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1758	0 1 2 3 4 5 6 7 8 9
1759	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1760	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1761	pack $ProfileFrame.1.tkOptDamp -side left
1762	pack [label $ProfileFrame.1.l1 \
1763	-text " Peak cutoff"]\
1764	-side left
1765	pack [entry $ProfileFrame.1.e1 \
1766	-width 10 -textvariable entryvar(pcut_$i)]\
1767	-side left
1768	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1769	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1770
1771	set col -1
1772	set row 1
1773	set nterms [hapinfo $hist $i profterms]
1774	set lbls {}
1775	catch {set lbls $expgui(prof-$htype-$ptype)}
1776	# for type 4, add extra terms depending on the cell type
1777	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1778	for { set num 1 } { $num <= $nterms } { incr num } {
1779	set term {}
1780	catch {set term [lindex $lbls $num]}
1781	if {$term == ""} {set term $num}
1782	incr col
1783	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1784	-row $row -column $col
1785	incr col
1786	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1787	-variable entryvar(pref${num}_$i)] -row $row -column $col
1788	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1789	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1790	incr col
1791	grid [entry $ProfileFrame.ent${num}_${i} \
1792	-textvariable entryvar(pterm${num}_$i)\
1793	-width 12] -row $row -column $col
1794	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1795	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1796	if {$col > 6} {set col -1; incr row}
1797	}
1798	}
1799	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1800	} else {
1801	# get histogram list
1802	set histlist {}
1803	foreach item $expgui(curhist) {
1804	lappend histlist [lindex $expmap(powderlist) $item]
1805	}
1806	# must have at least one histogram selected here
1807	if {[llength $histlist] == 0} return
1808	# disable traces on entryvar for right now
1809	set entrycmd(trace) 0
1810	# loop through histograms & phases, set up an array by phase & profile type
1811	catch {unset prtyparray histarray phasearray}
1812	foreach hist $histlist {
1813	foreach phase $expmap(phaselist_$hist) {
1814	set prtyp [string trim [hapinfo $hist $phase proftype]]
1815	set key ${prtyp}_$phase
1816	lappend prtyparray($key) $hist
1817	lappend histarray($key) $hist
1818	lappend phasearray($key) $phase
1819	}
1820	}
1821
1822	set ptype ""
1823	set i -1
1824	# loop over all combined phases and profile types, sorted 1st by profile number
1825	foreach key [lsort [array names prtyparray]] {
1826	# split key
1827	scan $key %d_%d prftyp p
1828
1829	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1830	set ptype $prftyp
1831	set curhistlist $histarray($key)
1832	set curphaslist $phasearray($key)
1833
1834	set hist1 [lindex $curhistlist 0]
1835	set phase1 [lindex $curphaslist 0]
1836	set nterms [hapinfo $hist1 $phase1 profterms]
1837	set htype [string range $expmap(htype_$hist1) 2 2]
1838	set lbls $expgui(prof-$htype-$ptype)
1839	# for type 4, add extra terms depending on the cell type
1840	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1841	# Create a frame for this type
1842	incr i
1843	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1844	if {$expgui(haveBW)} {
1845	grid [TitleFrame $expgui(ProfileBox).f.$i \
1846	-text "Histogram [CompressList $histarray($key)] (type $ptype)" \
1847	-relief groove -bd 2] \
1848	-column 0 -row $i -sticky ew
1849	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1850	grid [frame $ProfileFrame.0] \
1851	-column 0 -row 0 -columnspan 20 -sticky ew
1852	} else {
1853	grid [frame $expgui(ProfileBox).f.$i \
1854	-relief groove -bd 4] \
1855	-column 0 -row $i -sticky ew
1856	set ProfileFrame $expgui(ProfileBox).f.$i
1857	grid [frame $ProfileFrame.0] \
1858	-column 0 -row 0 -columnspan 20 -sticky ew
1859	grid [label $ProfileFrame.0.0 \
1860	-text "Profile Type $ptype "] -row 0 -column 0
1861	}
1862	grid [label $ProfileFrame.0.1 \
1863	-anchor w] -row 0 -column 1
1864	grid [frame $ProfileFrame.1] \
1865	-column 0 -row 1 -columnspan 20 -sticky ew
1866	grid [label $ProfileFrame.1.2 \
1867	-text "Damping"] -row 0 -column 2
1868	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1869	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1870	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1871	grid [button $ProfileFrame.1.edit \
1872	-text "Global Edit"] -row 0 -column 4 -sticky w
1873	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1874	set col -1
1875	set row 2
1876	for { set num 1 } { $num <= $nterms } { incr num } {
1877	set term {}
1878	catch {set term [lindex $lbls $num]}
1879	if {$term == ""} {set term $num}
1880	incr col
1881	grid [label $ProfileFrame.l${num}_${i} \
1882	-text "$term"] -row $row -column $col
1883	incr col
1884	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1885	-variable entryvar(pref${num}_$i)] \
1886	-row $row -column $col
1887	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1888	if {$col > 10} {set col -1; incr row}
1889	}
1890	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1891	} else {
1892	# add to the current entry
1893	eval lappend curhistlist $histarray($key)
1894	eval lappend curphaslist $phasearray($key)
1895	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1896	}
1897	$ProfileFrame.0.1 config -text $boxtitle
1898	$ProfileFrame.1.edit config -command "\
1899	EditProfile \"\n$boxtitle\" \
1900	[list $curhistlist] \
1901	[list $curphaslist]"
1902	set entrycmd(pdamp_$i) "hapinfo \
1903	[list $curhistlist] \
1904	[list $curphaslist] pdamp"
1905	for { set num 1 } { $num <= $nterms } { incr num } {
1906	set entrycmd(pref${num}_$i) "hapinfo \
1907	[list $curhistlist] \
1908	[list $curphaslist] pref$num"
1909	}
1910	}
1911	}
1912
1913	# resize the scroll window to match the actual
1914	update idletasks
1915	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1916	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1917	update idletasks
1918	ResizeNotebook
1919	# enable traces on entryvar now
1920	set entrycmd(trace) 1
1921	}
1922
1923	# profile labels for type 4 profile
1924	proc type4lbls {lbls nterms phase} {
1925	if {$nterms == 14} {
1926	# cubic
1927	lappend lbls S400 S220
1928	} elseif {$nterms == 15} {
1929	# hexagonal
1930	lappend lbls S400 S004 S202
1931	} elseif {$nterms == 16} {
1932	# tetragonal or rhombohedral
1933	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1934	# rhombohedral
1935	lappend lbls S400 S220 S310 S211
1936	} else {
1937	lappend lbls S400 S004 S220 S202
1938	}
1939	} elseif {$nterms == 18} {
1940	# orthorhombic
1941	lappend lbls S400 S040 S004 S220 S202 S022
1942	} elseif {$nterms == 21} {
1943	# monoclinic
1944	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1945	} elseif {$nterms == 25} {
1946	# triclinic
1947	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1948	S130 S301 S013 S211 S121 S112
1949	}
1950	return $lbls
1951	}
1952
1953	# process the bit settings in the print options
1954	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1955	proc printsetting {bitnum "action get" "value {}"} {
1956	global entryvar expgui
1957	if {$action == "get"} {
1958	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1959	} elseif $value {
1960	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1961	} else {
1962	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1963	}
1964	expinfo print set $newval
1965	set expgui(printopt) "Print Options ([expinfo print])"
1966	}
1967
1968	# need to respond to mouse presses -- control variable associated with extract Fobs
1969	# and set the LeBail extraction flags
1970	proc SetupExtractHist {} {
1971	global expgui entrycmd entryvar expmap
1972
1973	# display the selected histograms
1974	$expgui(lsFrame).hs.lbox selection clear 0 end
1975	foreach h $expgui(curhist) {
1976	$expgui(lsFrame).hs.lbox selection set $h
1977	}
1978
1979	# get histogram list
1980	set histlist {}
1981	foreach item $expgui(curhist) {
1982	set hist [lindex $expmap(powderlist) $item]
1983	if {$hist != ""} {lappend histlist $hist}
1984	}
1985	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1986	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1987	foreach phase {1 2 3 4 5 6 7 8 9} {
1988	$expgui(FobsExtractFrame).l$phase config -fg grey
1989	set expgui(Fextract$phase) {}
1990	foreach item $expgui(ExtractSettingsRadiobuttons) {
1991	${item}$phase config -state disabled -bd 1
1992	}
1993	}
1994	} elseif {[llength $histlist] == 1} {
1995	# disable traces on entryvar
1996	set entrycmd(trace) 0
1997	set entryvar(fobsextract) [histinfo $histlist foextract]
1998	foreach phase {1 2 3 4 5 6 7 8 9} {
1999	# is the phase present?
2000	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2001	$expgui(FobsExtractFrame).l$phase config -fg grey
2002	set expgui(Fextract$phase) {}
2003	foreach item $expgui(ExtractSettingsRadiobuttons) {
2004	${item}$phase config -state disabled -bd 1
2005	}
2006	} else {
2007	$expgui(FobsExtractFrame).l$phase config -fg black
2008	foreach item $expgui(ExtractSettingsRadiobuttons) {
2009	${item}$phase config -state normal -bd 2
2010	}
2011	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2012	}
2013	}
2014	} elseif {[llength $histlist] > 1} {
2015	# disable traces on entryvar
2016	set entrycmd(trace) 0
2017	# multiple histograms need phases in any histogram
2018	foreach phase {1 2 3 4 5 6 7 8 9} {
2019	set gotphase($phase) 0
2020	}
2021	foreach hist $histlist {
2022	foreach phase $expmap(phaselist_$hist) {
2023	set gotphase($phase) 1
2024	}
2025	}
2026	foreach phase {1 2 3 4 5 6 7 8 9} {
2027	set expgui(Fextract$phase) {}
2028	if $gotphase($phase) {
2029	$expgui(FobsExtractFrame).l$phase config -fg black
2030	foreach item $expgui(ExtractSettingsRadiobuttons) {
2031	${item}$phase config -state normal -bd 2
2032	}
2033	} else {
2034	$expgui(FobsExtractFrame).l$phase config -fg grey
2035	foreach item $expgui(ExtractSettingsRadiobuttons) {
2036	${item}$phase config -state disabled -bd 1
2037	}
2038	}
2039	}
2040	}
2041	# reenable traces
2042	set entrycmd(trace) 1
2043	}
2044	# respond to a change in the fobs extraction method for a phase
2045	# force the main extraction flag on, if fobs extraction is selected for any phase
2046	proc HistExtractSet {phase} {
2047	global expgui entryvar expmap
2048	foreach item $expgui(curhist) {
2049	lappend histlist [lindex $expmap(powderlist) $item]
2050	}
2051	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2052	incr expgui(changed)
2053	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2054	}
2055	#---------------------------- Global Edit Functions ------------------------
2056	proc editbackground {} {
2057	global expgui expmap entrycmd
2058	set histlist {}
2059	foreach n $expgui(curhist) {
2060	lappend histlist [lindex $expmap(powderlist) $n]
2061	}
2062	if {[llength $histlist] == 0} return
2063
2064	set w .back
2065	catch {destroy $w}
2066	toplevel $w -bg beige
2067	if {$expgui(globalmode) != 0} {
2068	wm title $w "Edit Background"
2069	} else {
2070	wm title $w "Global Edit Background"
2071	}
2072
2073	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2074	] -side top -expand yes -fill both
2075	if {[llength $histlist] > 1} {
2076	grid [label $w.0.a \
2077	-text "Setting background terms for histograms [CompressList $histlist]" \
2078	-bg beige] -row 0 -column 0 -columnspan 10
2079	} else {
2080	grid [label $w.0.a \
2081	-text "Setting background terms for histogram $histlist" \
2082	-bg beige] -row 0 -column 0 -columnspan 10
2083	}
2084	set hist [lindex $histlist 0]
2085	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2086
2087	# disable traces on expgui(backtype) & expgui(backterms) now
2088	set entrycmd(trace) 0
2089
2090	# number of terms
2091	set expgui(backtype) [histinfo $hist backtype]
2092	set expgui(orig_backtype) $expgui(backtype)
2093	set expgui(prev_backtype) $expgui(backtype)
2094	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2095	grid $w.0.type -row 1 -column 1
2096	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2097
2098	# function type
2099	set expgui(backterms) [histinfo $hist backterms]
2100	set expgui(orig_backterms) $expgui(backterms)
2101	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2102	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2103	grid $w.0.terms -row 1 -column 3
2104	# enable traces on expgui(backtype) & expgui(backterms) now
2105	set entrycmd(trace) 1
2106
2107	#set background terms
2108	for {set num 1 } { $num <= 36 } { incr num } {
2109	set var "bterm$num"
2110	set expgui($var) {}
2111	set expgui(orig_$var) {}
2112	}
2113	if {[llength $histlist] == 1} {
2114	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2115	set var "bterm$num"
2116	set expgui($var) [histinfo $histlist $var]
2117	set expgui(orig_$var) $expgui($var)
2118	}
2119	}
2120
2121	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2122	-expand yes -fill both
2123	ShowBackTerms $w.1
2124
2125	set expgui(temp) {}
2126	pack [frame $w.b] -side top
2127	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2128	pack [button $w.b.3 -text Quit \
2129	-command "QuitEditBackground $w"] -side left
2130	bind $w <Return> "destroy $w"
2131
2132	# force the window to stay on top
2133	putontop $w
2134
2135	focus $w.b.2
2136	tkwait window $w
2137	afterputontop
2138
2139	if {$expgui(temp) != ""} return
2140
2141	if {$expgui(orig_backtype) != $expgui(backtype)} {
2142	histinfo $histlist backtype set $expgui(backtype)
2143	incr expgui(changed)
2144	}
2145	if {$expgui(orig_backterms) != $expgui(backterms)} {
2146	histinfo $histlist backterms set $expgui(backterms)
2147	incr expgui(changed)
2148	}
2149	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2150	set var "bterm$num"
2151	if {$expgui(orig_$var) != $expgui($var)} {
2152	histinfo $histlist $var set $expgui($var)
2153	incr expgui(changed)
2154	}
2155	}
2156
2157	if {$expgui(globalmode) == 0} {
2158	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2159	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2160	}
2161	}
2162
2163	trace variable expgui(backterms) w ChangeBackTerms
2164	proc ChangeBackTerms {a b c} {
2165	global entrycmd expgui
2166	if !$entrycmd(trace) return
2167	ShowBackTerms .back.1
2168	}
2169
2170	trace variable expgui(backtype) w ChangeBackType
2171	# reset the terms to 1, 0, 0... when the number of terms increase
2172	proc ChangeBackType {a b c} {
2173	global entrycmd expgui
2174	if !$entrycmd(trace) return
2175	if {$expgui(prev_backtype) == $expgui(backtype)} return
2176	set expgui(prev_backtype) $expgui(backtype)
2177	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2178	set var "bterm$num"
2179	if {$num == 1} {
2180	set expgui($var) 1.0
2181	} else {
2182	set expgui($var) 0.0
2183	}
2184	}
2185	}
2186
2187	proc ShowBackTerms {w } {
2188	global expgui expmap
2189	# destroy the contents of the frame
2190	eval destroy [winfo children $w]
2191	set histlist {}
2192	foreach n $expgui(curhist) {
2193	lappend histlist [lindex $expmap(powderlist) $n]
2194	}
2195	set widgetsPerRow 4
2196	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2197	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2198	set var "bterm$num"
2199	grid [label $w.l$num -text $num -bg beige] \
2200	-row $rows -column $cols -sticky nes
2201	incr cols
2202	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2203	] -row $rows -column $cols -sticky news
2204	incr cols
2205	}
2206	}
2207	}
2208
2209	proc QuitEditBackground {w} {
2210	global expgui
2211	# lets find out if anything changed
2212	set changed 0
2213	if {$expgui(orig_backtype) != $expgui(backtype)} {
2214	set changed 1
2215	}
2216	if {$expgui(orig_backterms) != $expgui(backterms)} {
2217	set changed 1
2218	}
2219	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2220	set var "bterm$num"
2221	if {$expgui(orig_$var) != $expgui($var)} {
2222	set changed 1
2223	break
2224	}
2225	}
2226	if $changed {
2227	set decision [tk_dialog .changes "Abandon Changes" \
2228	"You have made changes to the background. Ok to abandon changes?" \
2229	warning 0 Abandon Keep]
2230	if !$decision {
2231	set expgui(temp) "Quit"
2232	destroy $w
2233	}
2234	} else {
2235	set expgui(temp) "Quit"
2236	destroy $w
2237	}
2238	}
2239
2240	# this probably needs work
2241	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2242	global expgui expmap
2243	set w .global
2244	catch {destroy $w}
2245	toplevel $w -bg beige
2246	wm title $w "Edit Global Parameter"
2247	set expgui(temp) {}
2248	if {[llength $histlist] == 0} {
2249	set hist {}
2250	foreach n $expgui(curhist) {
2251	lappend hist [lindex $expmap(powderlist) $n]
2252	}
2253	} else {
2254	set hist $histlist
2255	}
2256	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2257	-side top -expand yes -fill both
2258	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2259	-bg beige] \
2260	-row 0 -column 0 -columnspan 10
2261	grid [entry $w.0.b -textvariable expgui(temp)] \
2262	-row 1 -column 0
2263
2264
2265	pack [frame $w.b] -side top
2266	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2267	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2268	bind $w <Return> "destroy $w"
2269
2270	# force the window to stay on top
2271	putontop $w
2272	focus $w.b.2
2273	tkwait window $w
2274	afterputontop
2275
2276	if {$expgui(temp) != ""} {
2277	foreach h $hist {
2278	if {$cmd == "histinfo"} {
2279	histinfo $h $variable set $expgui(temp)
2280	incr expgui(changed)
2281	if $expgui(debug) {
2282	puts "histinfo $h $variable set $expgui(temp)"
2283	}
2284	} elseif {$cmd == "hapinfo"} {
2285	hapinfo $h $phase $variable set $expgui(temp)
2286	incr expgui(changed)
2287	if $expgui(debug) {
2288	puts "hapinfo $phase $h $variable set $expgui(temp)"
2289	}
2290	} else {
2291	error "$cmd unimplemented"
2292	}
2293	}
2294	}
2295	}
2296
2297	proc EditProfile {title histlist phaselist} {
2298	global expgui expmap entrycmd
2299	set w .back
2300	catch {destroy $w}
2301	toplevel $w -bg beige
2302	wm title $w "Global Edit Profile"
2303	set hist [lindex $histlist 0]
2304	set phase [lindex $phaselist 0]
2305	set ptype [string trim [hapinfo $hist $phase proftype]]
2306	set htype [string range $expmap(htype_$hist) 2 2]
2307	set nterms [hapinfo $hist $phase profterms]
2308
2309	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2310	] -side top -expand yes -fill both
2311	grid [label $w.0.a \
2312	-text "Setting profile terms: $title" \
2313	-bg beige] -row 0 -column 0 -columnspan 10
2314	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2315
2316	# number of terms
2317	# set expgui(backtype) [histinfo $hist backtype]
2318	# set expgui(orig_backtype) $expgui(backtype)
2319	# set expgui(prev_backtype) $expgui(backtype)
2320	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2321	# grid $w.0.type -row 1 -column 1
2322
2323	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2324	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2325	set entrylist {}
2326	lappend entrylist "pcut $w.0.d"
2327
2328	set col -1
2329	set row 1
2330	set lbls $expgui(prof-$htype-$ptype)
2331	# for type 4, add extra terms depending on the cell type
2332	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2333	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2334	] -side top -expand yes -fill both
2335	for { set num 1 } { $num <= $nterms } { incr num } {
2336	set term {}
2337	catch {set term [lindex $lbls $num]}
2338	if {$term == ""} {set term $num}
2339	incr col
2340	grid [label $w.1.l${num} -text "$term" -bg beige] \
2341	-row $row -column $col
2342	incr col
2343	grid [entry $w.1.ent${num} \
2344	-width 14] -row $row -column $col
2345	lappend entrylist "pterm$num $w.1.ent${num}"
2346	if {$col > 6} {set col -1; incr row}
2347	}
2348	pack [frame $w.b] -side top
2349	pack [button $w.b.2 -text Set \
2350	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2351	[list $histlist] $w"] -side left
2352	pack [button $w.b.3 -text Quit \
2353	-command "QuitEditProfile $w [list $entrylist]"] -side left
2354	bind $w <Return> "destroy $w"
2355
2356	# force the window to stay on top
2357	putontop $w
2358	focus $w.b.2
2359	tkwait window $w
2360	afterputontop
2361	}
2362
2363	proc SetEditProfile {entrylist phaselist histlist w} {
2364	global expgui
2365	foreach item $entrylist {
2366	set value [ [lindex $item 1] get ]
2367	if {$value != ""} {
2368	hapinfo $histlist $phaselist [lindex $item 0] set $value
2369	incr expgui(changed)
2370	if $expgui(debug) {
2371	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2372	}
2373	}
2374	}
2375	destroy $w
2376	}
2377
2378	proc QuitEditProfile {w entrylist} {
2379	global expgui
2380	# lets find out if anything changed
2381	set changed 0
2382	foreach item $entrylist {
2383	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2384	}
2385	if $changed {
2386	set decision [tk_dialog .changes "Abandon Changes" \
2387	"You have made changes to the Profile. Ok to abandon changes?" \
2388	warning 0 Abandon Keep]
2389	if !$decision {destroy $w}
2390	} else {
2391	destroy $w
2392	}
2393	}
2394
2395	##############################################################################
2396	## #############################################
2397	## END OF THE PROCEDURES SECTION #############################################
2398	## #############################################
2399	##############################################################################
2400
2401	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2402	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2403	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2404	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2405	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2406	# A frame for menu items at top of display
2407	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2408	# Pack the menu frame.
2409	pack $expgui(fm) -fill x -side top -anchor n
2410
2411	# create a button bar
2412	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2413
2414	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2415	# & LS controls
2416	if $expgui(haveBW) {
2417	pack [NoteBook .n -bd 2] -expand yes -fill both
2418	set expgui(lsFrame) [\
2419	.n insert end lsFrame -text "LS Controls" \
2420	-raisecmd "set expgui(pagenow) lsFrame; SetupExtractHist"]
2421	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2422	set expgui(phaseFrame) [\
2423	.n insert end phasePane -text "Phase" \
2424	-raisecmd "set expgui(pagenow) phaseFrame; \
2425	DisplayAllAtoms noreset"]
2426	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2427	set expgui(histFrame) [\
2428	.n insert end histPane -text "Histogram" \
2429	-raisecmd "set expgui(pagenow) histFrame; DisplayHistogram" \
2430	-createcmd MakeHistPane]
2431	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2432	lappend expgui(GlobalModeAllDisable) "histFrame {.n itemconfigure histPane}"
2433	set expgui(fracFrame) [\
2434	.n insert end fracPane -text "Scaling" \
2435	-raisecmd "set expgui(pagenow) fracFrame; DisplayFrac" \
2436	-createcmd MakeScalingPane]
2437	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2438	set expgui(profFrame) [\
2439	.n insert end profPane -text Profile \
2440	-raisecmd "set expgui(pagenow) profFrame; DisplayProfile"\
2441	-createcmd MakeProfilePane]
2442	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2443	lappend expgui(GlobalModeAllDisable) "profFrame {.n itemconfigure profPane}"
2444	set expgui(consFrame) [\
2445	.n insert end consPane -text Constraints \
2446	-raisecmd "set expgui(pagenow) consFrame; DisplayConstraintsPane"\
2447	-createcmd MakeConstraintsPane]
2448	lappend expgui(frameactionlist) "consFrame DisplayConstraintsPane"
2449	} else {
2450	Notebook:create .n -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2451	pack .n -anchor w -fill both -expand yes
2452	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2453	page {"LS Controls" Phase Histogram Scaling Profile } {
2454	set expgui($item) [Notebook:frame .n $item]
2455	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2456	}
2457	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2458	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2459	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2460	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2461	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2462	set expgui(GlobalModeAllDisable) {}
2463	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2464	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2465	}
2466
2467	# this is used to bring up the selected frame
2468	proc RaisePage {nextpage} {
2469	global expgui
2470	if $expgui(haveBW) {
2471	.n see $nextpage
2472	.n raise $nextpage
2473	set expgui(pagenow) $nextpage
2474	} else {
2475	Notebook:raise .n $nextpage
2476	InitPage $nextpage
2477	}
2478	}
2479	# this is only called when BWidget is not in use
2480	proc InitPage {nextpage} {
2481	global expgui
2482	set expgui(pagenow) $nextpage
2483	foreach set $expgui(frameactionlist) {
2484	# don't worry about errors
2485	catch {
2486	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2487	}
2488	}
2489	}
2490	# resize the notebook to fit all the tabs and the largest page
2491	proc ResizeNotebook {} {
2492	global expgui
2493	if {$expgui(haveBW)} {
2494	.n compute_size
2495	} else {
2496	Notebook:resize .n
2497	}
2498	}
2499
2500	#----------------------------------------------------------------------------
2501	proc MakePhasePane {} {
2502	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2503	global expgui
2504	frame $expgui(phaseFrame).top
2505	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2506	# This is a big frame in the Phase notebook pane to hold atomic data.
2507	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2508	-relief raised -borderwidth 4 -bg beige]
2509	# This is a frame just below the big frame: for edits
2510	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2511	-relief raised -borderwidth 4 -bg beige]
2512
2513	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2514	grid $frameLatt -sticky news -row 2 -column 0
2515	grid $fbig -sticky news -row 3 -column 0
2516	# give extra space to the atoms box
2517	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2518	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2519	grid $frame3 -sticky news -row 4 -column 0
2520	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2521	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2522	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2523	# this is where the buttons will go
2524	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2525
2526	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2527	-fg blue ] -column 1 -row 0 -sticky e
2528	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2529	-fg blue -width 45] -column 2 -row 0 -sticky e
2530	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2531	# ------------- Lattice Parameter Box ------------------
2532	set row 0
2533	foreach col {2 4 6} var {a b c} lbl {a b c} {
2534	grid [label $frameLatt.l$var -text $lbl] \
2535	-column $col -row $row -padx 5 -sticky e
2536	incr col
2537	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2538	-column $col -row $row -padx 5
2539	}
2540	incr row
2541	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2542	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2543	-column $col -row $row -padx 5 -sticky e
2544	incr col
2545	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2546	-column $col -row $row -padx 5
2547	}
2548
2549	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2550	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2551	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2552	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2553	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2554	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2555	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2556	-column 1 -row 0 -rowspan 2
2557	if [file executable $expgui(exptool)] {
2558	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2559	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2560	}
2561	grid columnconfig $frameLatt 1 -weight 1
2562	grid columnconfig $frameLatt 0 -weight 1
2563	#-------------- Begin Atom Coordinates Box ------------------------------
2564	grid [listbox $fbig.title -height 1 -relief flat] \
2565	-row 0 -column 0 -sticky ew
2566	set expgui(atomtitle) $fbig.title
2567	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2568	grid [listbox $fbig.lbox -height 10 \
2569	-xscrollcommand " $fbig.bscr set"\
2570	-yscrollcommand " $fbig.rscr set"\
2571	] -row 1 -column 0 -sticky news
2572	set expgui(atomlistbox) $fbig.lbox
2573	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2574	grid [scrollbar $fbig.bscr -orient horizontal \
2575	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2576	] -row 2 -column 0 -sticky ew
2577	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2578	] -row 1 -column 1 -sticky ns
2579	# give extra space to the atoms box
2580	grid columnconfigure $fbig 0 -weight 1
2581	grid rowconfigure $fbig 1 -weight 1
2582
2583	# BIND mouse in editbox
2584	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2585	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2586
2587	#-------------- End Atoms Section ---------------------------------
2588
2589	# --------------------------- Begin Edit Box ------------------------
2590	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2591	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2592	if [file executable $expgui(exptool)] {
2593	button $frame3.newa -text "Add New Atom" \
2594	-command {MakeAddAtomsBox $expgui(curPhase)}
2595	grid $frame3.newa -column 11 -row 0
2596	}
2597
2598	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2599	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2600
2601	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2602	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2603	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2604	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2605	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2606	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2607
2608	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2609	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2610
2611	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2612	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2613	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2614	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2615	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2616	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2617	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2618	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2619	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2620
2621	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2622	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2623
2624	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2625	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2626
2627	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2628	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2629	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2630	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2631	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2632	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2633	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2634	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2635	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2636	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2637
2638	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2639	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2640	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2641	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2642	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2643	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2644	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2645	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2646
2647	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2648	grid $f3f31 -column 0 -row 7 -columnspan 12
2649	set expgui(anisolabels) {}
2650	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2651	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2652	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2653	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2654	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2655	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2656
2657	set expgui(anisoentry) {}
2658	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2659	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2660	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2661	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2662	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2663	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2664
2665	set col 0
2666	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2667	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2668	incr col
2669	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2670	incr col
2671	}
2672	# --------------------------- End Edit Box -------------------------
2673
2674	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2675	# resize in case the pane needs more space
2676	ResizeNotebook
2677	}
2678
2679	proc move2boxes {boxlist args} {
2680	foreach listbox $boxlist {
2681	eval $listbox xview $args
2682	}
2683	}
2684	# make the phase pane
2685	MakePhasePane
2686	#-----------------------------------------------------------------------------
2687	proc MakeHistPane {} {
2688	#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
2689	global expgui
2690	grid [frame $expgui(histFrame).hs] \
2691	-column 0 -row 0 -rowspan 10 -sticky nsew
2692	grid columnconfigure $expgui(histFrame) 0 -weight 1
2693	grid rowconfigure $expgui(histFrame) 1 -weight 1
2694	grid rowconfigure $expgui(histFrame) 2 -weight 1
2695	grid rowconfigure $expgui(histFrame) 3 -weight 1
2696	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2697	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2698	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2699	-font $expgui(histfont) \
2700	-xscrollcommand "$expgui(histFrame).hs.x set" \
2701	-yscrollcommand "$expgui(histFrame).hs.y set" \
2702	] -row 1 -column 0 -sticky news
2703	lappend expgui(HistSelectList) $expgui(histFrame).hs
2704	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2705	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2706	] -row 2 -column 0 -sticky ew
2707	grid [scrollbar $expgui(histFrame).hs.y \
2708	-command "$expgui(histFrame).hs.lbox yview"] \
2709	-row 1 -column 1 -sticky ns
2710	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2711	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2712	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2713	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2714	DisplayHistogram
2715	}
2716	bind $expgui(histFrame).hs.lbox <Button-3> {
2717	if $expgui(globalmode) {
2718	$expgui(histFrame).hs.lbox selection set 0 end
2719	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2720	DisplayHistogram
2721	}
2722	}
2723
2724	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2725	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2726	if $expgui(haveBW) {
2727	foreach item {backBox diffBox} num {2 3} \
2728	title {Background "Diffractometer Constants"} {
2729	TitleFrame $expgui(histFrame).$item \
2730	-borderwidth 4 -side left -relief groove -text $title
2731	set expgui($item) [$expgui(histFrame).$item getframe]
2732	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2733	grid rowconfigure $expgui(histFrame) $num -minsize 100
2734	}
2735	} else {
2736	foreach item {backBox diffBox} num {1 2} \
2737	title {Background "Diffractometer Constants"} {
2738	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2739	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2740	set expgui($item) $expgui(histFrame).$item
2741	grid [label $expgui(histFrame).$item.title -text $title] \
2742	-row 0 -column 0 -columnspan 10 -sticky nw
2743	}
2744	}
2745	if [file executable $expgui(exptool)] {
2746	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2747	grid $expgui(histFrame).newh -column 1 -row 6
2748	}
2749
2750	# BACKGROUND information.
2751	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2752	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2753	grid [label $expgui(backBox).frm1.lBGType \
2754	-textvariable expgui(backtypelbl)] \
2755	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2756	grid [label $expgui(backBox).frm1.lBGTerms \
2757	-textvariable expgui(backtermlbl)] \
2758	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2759	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2760	-command editbackground] \
2761	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2762	grid [frame $expgui(backBox).frm2 ] \
2763	-row 1 -column 0 -columnspan 11 -sticky e
2764	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2765	-row 2 -column 1 -sticky news -padx 4 -pady 3
2766	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2767	-variable entryvar(bref) ] \
2768	-row 2 -column 2 -sticky news -padx 4 -pady 3
2769	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2770	-row 2 -column 3 -sticky w -padx 2 -pady 3
2771	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2772	grid $expgui(backBox).frm2.om \
2773	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2774	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2775	# insert the histograms & resize in case the pane needs more space
2776	sethistlist
2777	ResizeNotebook
2778	}
2779	###############################################################################
2780	proc MakeScalingPane {} {
2781	#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
2782	global expgui
2783	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2784	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2785	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2786	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2787	-font $expgui(histfont) \
2788	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2789	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2790	] -row 1 -column 0 -sticky news
2791	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2792	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2793	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2794	] -row 2 -column 0 -sticky ew
2795	grid [scrollbar $expgui(fracFrame).hs.y \
2796	-command "$expgui(fracFrame).hs.lbox yview"] \
2797	-row 1 -column 1 -sticky ns
2798	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2799	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2800	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2801	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2802	DisplayFrac
2803	}
2804	bind $expgui(fracFrame).hs.lbox <Button-3> {
2805	if $expgui(globalmode) {
2806	$expgui(fracFrame).hs.lbox selection set 0 end
2807	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2808	DisplayFrac
2809	}
2810	}
2811	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2812	# Create a large canvas area containing a frame for each phase in the data set.
2813	# The canvas and vertical scrollbar are inside a frame called f1
2814	if $expgui(haveBW) {
2815	TitleFrame $expgui(fracFrame).f1.scaleBox \
2816	-borderwidth 4 -text "Scale Factor"
2817	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2818	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2819	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2820	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2821	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2822	} else {
2823	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2824	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2825	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2826	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2827	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2828	}
2829	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2830	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2831	button $expgui(scaleBox).but1 -text "Set Globally" \
2832	-command "editglobalparm histinfo scale {Scale Factor}"
2833
2834	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2835	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2836	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2837	-row 1 -column 3 -sticky news -padx 4 -pady 3
2838	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2839	-row 1 -column 4 -sticky w -padx 2 -pady 3
2840	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2841	grid $expgui(scaleBox).om \
2842	-row 1 -column 5 -sticky news -padx 4 -pady 3
2843	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2844
2845	if $expgui(haveBW) {
2846	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2847	-text "Phase Fractions" -relief groove] \
2848	-sticky news -row 1 -column 0 -columnspan 2
2849	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2850	} else {
2851	set PhaseFractBox $expgui(fracFrame).f1
2852	}
2853	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2854	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2855
2856	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2857	-scrollregion {0 0 5000 500} \
2858	-yscrollcommand "$PhaseFractBox.yscroll set" \
2859	-width 500 -height 350 -bg lightgrey]] \
2860	-sticky news -row 1 -column 0
2861	grid [scrollbar $PhaseFractBox.yscroll \
2862	-command "$expgui(FracBox) yview" \
2863	-orient vertical] \
2864	-sticky ns -row 1 -column 1
2865	frame $expgui(FracBox).f -bd 0
2866	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2867
2868	# the rest of the page is created in DisplayFrac
2869
2870	# insert the histograms & resize in case the pane needs more space
2871	sethistlist
2872	ResizeNotebook
2873	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2874	}
2875	###############################################################################
2876	proc MakeProfilePane {} {
2877	global expgui
2878	# 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
2879	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2880	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2881	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2882	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2883	-font $expgui(histfont) \
2884	-xscrollcommand "$expgui(profFrame).hs.x set" \
2885	-yscrollcommand "$expgui(profFrame).hs.y set" \
2886	] -row 1 -column 0 -sticky news
2887	lappend expgui(HistSelectList) $expgui(profFrame).hs
2888	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2889	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2890	] -row 2 -column 0 -sticky ew
2891	grid [scrollbar $expgui(profFrame).hs.y \
2892	-command "$expgui(profFrame).hs.lbox yview"] \
2893	-row 1 -column 1 -sticky ns
2894	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2895	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2896	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2897	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2898	DisplayProfile
2899	}
2900	bind $expgui(profFrame).hs.lbox <Button-3> {
2901	if $expgui(globalmode) {
2902	$expgui(profFrame).hs.lbox selection set 0 end
2903	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2904	DisplayProfile
2905	}
2906	}
2907
2908	# Create a large canvas area containing a frame for each phase in the data set.
2909	# The canvas and vertical scrollbar are inside a frame called f1
2910	pack [frame $expgui(profFrame).f1] -fill both -expand true
2911	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2912	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2913	-sticky news -row 0 -column 0
2914	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2915	-sticky ns -row 0 -column 1
2916
2917	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2918	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2919
2920	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2921	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2922	frame $expgui(ProfileBox).f -bd 0
2923	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2924
2925	# insert the histograms & resize in case the pane needs more space
2926	sethistlist
2927	ResizeNotebook
2928	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2929	}
2930
2931	##############################################################################
2932	# 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
2933	array set printopts {
2934	0 "Print the reciprocal metric tensor changes"
2935	1 "Print the correlation matrix"
2936	2 "Print the Least-Squares matrices and vectors"
2937	4 "Print the linear constraint matrices"
2938	5 "Print the applied shifts and shift factors"
2939	6 "Print the reciprocal metric tensor Var-Covar terms"
2940	7 "Print all parameters for each cycle"
2941	8 "Print summary shift/esd data after last cycle"
2942	9 "Print zero/unit pole figure constraint terms"
2943	}
2944	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2945	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2946	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2947	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2948	-font $expgui(histfont) \
2949	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2950	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2951	] -row 1 -column 0 -sticky news
2952	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2953	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2954	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2955	] -row 2 -column 0 -sticky ew
2956	grid [scrollbar $expgui(lsFrame).hs.y \
2957	-command "$expgui(lsFrame).hs.lbox yview"] \
2958	-row 1 -column 1 -sticky ns
2959	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2960	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2961	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2962	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2963	SetupExtractHist
2964	}
2965	bind $expgui(lsFrame).hs.lbox <Button-3> {
2966	if $expgui(globalmode) {
2967	$expgui(lsFrame).hs.lbox selection set 0 end
2968	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2969	SetupExtractHist
2970	}
2971	}
2972
2973	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2974	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2975	set row 0
2976	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2977	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
2978	-textvariable expgui(last_History)] \
2979	-row $row -column 1 -columnspan 5 -sticky w
2980	incr row
2981	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2982	grid [entry $expgui(lsFrame).f1.tit2 \
2983	-textvariable entryvar(title) -width 48] \
2984	-row $row -column 1 -columnspan 5 -sticky w
2985	set entrycmd(title) "expinfo title"
2986
2987	incr row
2988	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2989	-row $row -column 0 -columnspan 2 -pady 3
2990	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2991	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2992	-textvariable entryvar(cycles)] -row 0 -column 1
2993	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2994	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2995	] -row $row -column 2
2996	menu $expgui(lsFrame).f1.lprint.menu
2997	foreach num [lsort [array names printopts]] {
2998	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2999	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3000	-variable entryvar(printopt$num)
3001	}
3002	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3003	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3004	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3005	incr row
3006	if {$expgui(haveBW)} {
3007	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3008	-text "Reflection Intensity Extraction" \
3009	] -row $row -column 0 -columnspan 6
3010	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3011	} else {
3012	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3013	] -row $row -column 0 -columnspan 6
3014	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3015	}
3016	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3017	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3018	-row 0 -column 8 -columnspan 3 -sticky e
3019	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3020	-row 0 -column 2
3021	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3022	-variable entryvar(fobsextract)] -row 0 -column 3
3023	foreach num {1 2 3 4 5 6 7 8 9} {
3024	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3025	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3026	-command "HistExtractSet $num" \
3027	-variable expgui(Fextract$num) -value 0] \
3028	-row 2 -column $num
3029	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3030	-command "HistExtractSet $num" \
3031	-variable expgui(Fextract$num) -value 1] \
3032	-row 3 -column $num
3033	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3034	-command "HistExtractSet $num" \
3035	-variable expgui(Fextract$num) -value 2] \
3036	-row 4 -column $num
3037	}
3038	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3039	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3040	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3041
3042	grid [label $expgui(FobsExtractFrame).t \
3043	-text "Extraction\nMethod" -anchor c] \
3044	-column 0 -row 0 -rowspan 2 -sticky s
3045	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3046	-column 1 -row 0 -columnspan 7 -sticky sw
3047	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3048	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3049	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3050	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3051	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3052	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3053	#-------------------------------------------------------------------------
3054	#-------------------------------------------------------------------------
3055	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3056
3057	#---- file menu button
3058	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3059	menu $expgui(fm).file.menu
3060	if $expgui(debug) {
3061	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3062	}
3063	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3064	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3065	-command savearchiveexp
3066	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3067	$expgui(fm).file.menu add command -label "Save As" \
3068	-command "SaveAsFile"
3069	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3070	-command {rereadexp $expgui(expfile)}
3071
3072	#---- help menu button
3073	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3074	menu $expgui(fm).help.menu
3075	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3076	-label "Help on Command"
3077	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3078	$expgui(fm).help.menu add command -label "About..." -command About
3079
3080	#---- options menu button
3081	menubutton $expgui(fm).option -text Options \
3082	-menu $expgui(fm).option.menu
3083	menu $expgui(fm).option.menu
3084
3085	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3086	-variable expgui(archive)
3087	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3088	-variable expgui(disaglSeparateBox)
3089
3090	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3091	-label "Sort atoms by"
3092
3093	set expgui(asorttype) number
3094	menu $expgui(fm).option.menu.asort
3095	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3096	-label number -value number -variable expgui(asorttype)
3097	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3098	-label type -value type -variable expgui(asorttype)
3099	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3100	-label x -value x -variable expgui(asorttype)
3101	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3102	-label y -value y -variable expgui(asorttype)
3103	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3104	-label z -value z -variable expgui(asorttype)
3105
3106
3107	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3108	-label "Sort histograms by"
3109
3110	set expgui(hsorttype) number
3111	menu $expgui(fm).option.menu.hsort
3112	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3113	-label number -value number -variable expgui(hsorttype)
3114	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3115	-label "Histogram type" -value type -variable expgui(hsorttype)
3116	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3117	-label "Bank #" -value bank -variable expgui(hsorttype)
3118	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3119	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3120
3121	#---- Global mode menu button
3122	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3123	-label "Multiple hist. selection"
3124	menu $expgui(fm).option.menu.editmode
3125	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3126	-variable expgui(globalmode) -value 0 \
3127	-command sethistlist
3128	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3129	-variable expgui(globalmode) -value 6 \
3130	-command sethistlist
3131	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3132	-variable expgui(globalmode) -value 1 \
3133	-command sethistlist
3134	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3135	-variable expgui(globalmode) -value 2 \
3136	-command sethistlist
3137	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3138	-variable expgui(globalmode) -value 3 \
3139	-command sethistlist
3140	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3141	-variable expgui(globalmode) -value 4 \
3142	-command sethistlist
3143	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3144	-variable expgui(globalmode) -value 5 \
3145	-command sethistlist
3146	$expgui(fm).option.menu.editmode add separator
3147	$expgui(fm).option.menu.editmode add checkbutton \
3148	-label "Group phases together" \
3149	-variable expgui(globalphasemode) \
3150	-command sethistlist
3151
3152	set expgui(globalmode) 0
3153	set expgui(globalphasemode) 1
3154
3155	if {$tcl_platform(platform) != "windows"} {
3156	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3157	-variable env(GSASBACKSPACE)
3158	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3159	-variable expgui(autoexpload)
3160	}
3161
3162	$expgui(fm).option.menu add command -label "Save Options" \
3163	-command "SaveOptions"
3164
3165	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3166
3167	foreach menu $expgui(menunames) {
3168	set m [string tolower $menu]
3169	pack [menubutton $expgui(fm).$m -text $menu \
3170	-menu $expgui(fm).$m.menu] -side left
3171	menu $expgui(fm).$m.menu
3172	}
3173	pack $expgui(fm).help -side right -in $expgui(fm)
3174
3175	# add the commands in expgui_menulist
3176	foreach menu [array names expgui_menulist ] {
3177	foreach cmd $expgui_menulist($menu) {
3178	set action {}
3179	set opt {}
3180	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3181	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3182	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3183	if {$action != "" && $action != "-"} {
3184	eval $expgui(fm).$menu.menu add command \
3185	-label $cmd $opt -command [list [subst $action]]
3186	if {[lindex $opt 0] == "-underline"} {
3187	catch {
3188	set num [lindex $opt 1]
3189	set key [string range $cmd $num $num]
3190	bind . <Alt-[string tolower $key]> [subst $action]
3191	bind . <Alt-[string toupper $key]> [subst $action]
3192	}
3193	}
3194	}
3195	}
3196	}
3197	# setup command help
3198	foreach cmd [array names expgui_cmdlist] {
3199	set help {}
3200	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3201	if {$help == ""} {
3202	if {$expgui(debug)} {puts "no help for $cmd"}
3203	} else {
3204	# remove
3205	regsub -all \x09 $help " " help
3206	# preserve blank lines
3207	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3208	regsub -all \x0A $help " " help
3209	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3210	regsub -all " +" $help " " help
3211	set expgui_helplist($cmd) [string trim $help]
3212	}
3213	}
3214	# set up button bar
3215	foreach cmd $expgui(buttonlist) {
3216	set action {}
3217	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3218	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3219	if {$action != ""} {
3220	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3221	-text $cmd -command [list [subst $action]]] -side left
3222	}
3223	}
3224
3225	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3226	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3227	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3228
3229
3230	# handle indirect exits
3231	wm protocol . WM_DELETE_WINDOW catchQuit
3232	bind . <Control-c> catchQuit
3233
3234	set expgui(curPhase) ""
3235	set expgui(pagenow) ""
3236	set expgui(curhist) {}
3237	set expgui(selectedatomlist) {}
3238
3239	loadexp $expgui(expfile)
3240
3241	# select the 1st phase
3242	SelectOnePhase [lindex $expmap(phaselist) 0]
3243	# select the first histogram in the list by default (if there are any)
3244	if {[llength $expmap(histlistboxcontents)] > 0} {
3245	set expgui(curhist) 0
3246	} else {
3247	set expgui(curhist) {}
3248	}
3249
3250	# execute any local commands for final initialization
3251	eval $expgui(initstring)
3252
3253	# resize the notebook to fit all the tabs and the largest page
3254	ResizeNotebook
3255
3256	RaisePage lsFrame
3257	if {[CountHistory] > 100} {
3258	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3259	}

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