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source: trunk/expgui @ 289

Last change on this file since 289 was 289, checked in by toby, 13 years ago
# on 2000/10/02 16:54:10, toby did: remove unneeded raise command in ReloadExpMsg? -- seems to cause a major delay
Property rcs:author set to `toby` Property rcs:date set to `2000/10/02 16:54:10` Property rcs:lines set to `+7 -4` Property rcs:rev set to `1.34` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 117.0 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 289 2009-12-04 23:03:34Z toby $
3	set expgui(Revision) {$Revision: 289 $ $Date: 2009-12-04 23:03:34 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	} else {
43	set expgui(expfile) {}
44	}
45
46	set expgui(curhist) {}
47	set expmap(powderlist) {}
48
49	set expgui(debug) 0
50	catch {if $env(DEBUG) {set expgui(debug) 1}}
51	#set expgui(debug) 1
52
53	# default for archive mode = on
54	set expgui(archive) 1
55	# default for autoexec load = off
56	set expgui(autoexpload) 0
57	# save the name of the wish executable
58	set wishshell [info nameofexecutable]
59	# misc constants
60	set txtvw(font) "Courier"
61	set expgui(coordfont) "--courier-bold-r-normal--12-"
62	set expgui(histfont) "--courier-bold-r-normal--12-"
63	set liveplot(hst) 1
64	set liveplot(legend) 1
65	set expgui(filesort) 1
66	set expgui(initstring) {}
67	# use a separate window for DISAGL (default)
68	set expgui(disaglSeparateBox) 1
69	set expgui(DefaultPeakType) 0
70	# default: keep current atoms when replacing a phase
71	set expgui(DeleteAllAtoms) 0
72	#=============================================================================
73	#----------------------------------------------------------------
74	# where are we?
75	set expgui(script) [info script]
76	# translate links -- go six levels deep
77	foreach i {1 2 3 4 5 6} {
78	if {[file type $expgui(script)] == "link"} {
79	set link [file readlink $expgui(script)]
80	if { [file pathtype $link] == "absolute" } {
81	set expgui(script) $link
82	} {
83	set expgui(script) [file dirname $expgui(script)]/$link
84	}
85	} else {
86	break
87	}
88	}
89	# fixup relative paths
90	if {[file pathtype $expgui(script)] == "relative"} {
91	set expgui(script) [file join [pwd] $expgui(script)]
92	}
93	set expgui(scriptdir) [file dirname $expgui(script) ]
94	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
95	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
96	#----------------------------------------------------------------
97	lappend auto_path $expgui(scriptdir)
98	set expgui(havetix) 0
99	set expgui(haveBW) 1
100	# for debugging non-BWidget version set environment variable NOBWIDGET
101	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
102	if $expgui(haveBW) {
103	if [catch {package require BWidget}] {set expgui(haveBW) 0}
104	}
105	# get the notebook widget if not using BWidgets
106	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
107	#----------------------------------------------------------------
108	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
109	source [file join $expgui(scriptdir) opts.tcl]
110	}
111	# fetch EXP file processing routines
112	source [file join $expgui(scriptdir) readexp.tcl]
113	# commands for running GSAS programs
114	source [file join $expgui(scriptdir) gsascmds.tcl]
115	# contents of GSAS menus
116	source [file join $expgui(scriptdir) gsasmenu.tcl]
117	# commands for adding phases, histograms & atoms
118	source [file join $expgui(scriptdir) addcmds.tcl]
119	# commands for preferred orientation
120	source [file join $expgui(scriptdir) orient.tcl]
121	#---------------------------------------------------------------------------
122	# override options with locally defined values
123	if [file exists [file join $expgui(scriptdir) localconfig]] {
124	source [file join $expgui(scriptdir) localconfig]
125	}
126	if [file exists [file join ~ .gsas_config]] {
127	source [file join ~ .gsas_config]
128	}
129	if {$tcl_platform(platform) == "windows"} {
130	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
131	} else {
132	set expgui(exptool) [file join $expgui(gsasexe) exptool]
133	}
134	#---------------------------------------------------------------------------
135	if {$expgui(expfile) != ""} {
136	if ![file exists $expgui(expfile)] {
137	update
138	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
139	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
140	error 0 "Create" "Open other"]
141	if $ans {set expgui(expfile) {}}
142	}
143	}
144	if {$expgui(expfile) == ""} {
145	# center the parent window because the getExpFileName window
146	# will be centered above it.
147	wm withdraw .
148	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
149	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
150	wm geom . +$x+$y
151	wm deiconify .
152	# windows needed this update before when using tk_getOpenFile.
153	# I am not sure it is still needed.
154	update
155	#
156	set expgui(expfile) [getExpFileName old]
157	}
158	if {$expgui(expfile) == ""} exit
159	# you've been warned this .EXP does not exist!
160	if ![file exists $expgui(expfile)] {
161	# create an "empty" exp file
162	createexp $expgui(expfile) \
163	[getstring "title for experiment $expgui(expfile)" 60 0]
164	}
165	catch {cd [string trim [file dirname $expgui(expfile)]]}
166
167	#
168	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
169	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
170	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
171	# load exp file and set up dialogs
172	proc loadexp {expfile} {
173	global expgui expmap entryvar entrycmd tcl_platform
174	set exploadtime [time {set fmt [expload $expfile]}]
175	if $expgui(debug) {puts "expload $exploadtime"}
176	# if the file was not in the correct format, force a rewrite before use
177	if {$fmt < 0} {
178	# read error
179	return
180	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
181	set expgui(changed) 1
182	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
183	set expgui(changed) 1
184	} else {
185	set expgui(changed) 0
186	}
187
188	# force exp files to be upper case, force save if name changes
189	set filetail [file tail $expfile]
190	set filetailcaps [string toupper $filetail]
191	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
192	set expgui(changed) 1
193	}
194	if {[file dirname $expfile] == "."} {
195	set expgui(expfile) $filetailcaps
196	} else {
197	set expgui(expfile) [file join \
198	[file dirname $expfile] $filetailcaps]
199	}
200
201	mapexp
202	set expgui(expModifiedLast) 0
203	catch {
204	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
205	}
206	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
207	# set the window/icon title
208	wm title . "EXPGUI $expfile"
209	set expgui(titleunchanged) 1
210	wm iconname . [file tail $expfile]
211
212	# set the number of phases on the phase page
213	setphases
214
215	# disable the "global options" that don't make sense based on
216	# which histograms present
217	foreach num {1 2 3 4 5} {
218	set flag($num) 0
219	}
220	# save a list of the allowed modes, too
221	set expgui(AllowedHistSelectModes) {0 6}
222	foreach h $expmap(powderlist) {
223	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
224	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
225	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
226	[histinfo $h lam2] != 0.0} {set flag(3) 1}
227	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
228	[histinfo $h lam2] == 0.0} {set flag(4) 1}
229	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
230	}
231	foreach num {1 2 3 4 5} \
232	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
233	"Energy Disp Xray"} {
234	if $flag($num) {
235	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
236	lappend expgui(AllowedHistSelectModes) $num
237	} else {
238	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
239	}
240	}
241	# disable traces on entryvar until we are ready
242	set entrycmd(trace) 0
243	trace vdelete entryvar w entvartrace
244
245	# propogate changes on the least squares page
246	set entryvar(cycles) [expinfo cycles]
247	set entrycmd(cycles) "expinfo cycles"
248	# set expgui(globalmode) 0
249	set expgui(printopt) "Print Options ([expinfo print])"
250	set entryvar(title) [expinfo title]
251	global printopts
252	foreach num [array names printopts] {
253	set entrycmd(printopt$num) "printsetting $num"
254	set entryvar(printopt$num) [printsetting $num]
255	}
256	# enable traces on entryvar
257	set entrycmd(trace) 1
258	trace variable entryvar w entvartrace
259
260	# set fo extraction on LS page
261	SetupExtractHist
262
263	# update the histogram list & update the page
264	sethistlist
265
266	# start checking for external changes
267	afterawhile
268	}
269
270	# called to reread the .EXP file
271	proc rereadexp {expfile} {
272	global expgui
273	if $expgui(changed) {
274	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
275	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
276	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
277	switch $decision {
278	0 { savearchiveexp }
279	1 { }
280	2 { return }
281	}
282	}
283	loadexp $expgui(expfile)
284	}
285
286	proc SaveAsFile {} {
287	global expgui
288	set newexpfile [getExpFileName new]
289	if {$newexpfile == ""} return
290	expwrite $newexpfile
291	set expgui(expfile) $newexpfile
292	catch {cd [string trim [file dirname $expgui(expfile)]]}
293	set expgui(changed) 0
294	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
295	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
296	# set the window/icon title
297	wm title . $expgui(expfile)
298	set expgui(titleunchanged) 1
299	wm iconname . [file tail $expgui(expfile)]
300	}
301
302	# called to read a different .EXP file
303	proc readnewexp {} {
304	global expgui expmap
305	if $expgui(changed) {
306	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
307	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
308	{} 0 "Save and read" "Read without Save" "Cancel read command"]
309	switch $decision {
310	0 { savearchiveexp }
311	1 { }
312	2 { return }
313	}
314	}
315	set newexpfile [getExpFileName old]
316	if {$newexpfile == ""} return
317
318	# switch to the 1st page
319	RaisePage lsFrame
320
321	if ![file exists $newexpfile] {
322	# you've been warned this .EXP does not exist!
323	# create an "empty" exp file
324	createexp $newexpfile \
325	[getstring "title for experiment $newexpfile" 60 0]
326	}
327	set expgui(expfile) $newexpfile
328	catch {cd [string trim [file dirname $expgui(expfile)]]}
329	set expgui(globalmode) 0
330	loadexp $expgui(expfile)
331
332	# select the 1st phase
333	SelectOnePhase [lindex $expmap(phaselist) 0]
334	# select the first histogram in the list by default (if there are any)
335	if {[llength $expmap(histlistboxcontents)] > 0} {
336	set expgui(curhist) 0
337	} else {
338	set expgui(curhist) {}
339	}
340	if {[CountHistory] > 100} {
341	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
342	}
343	}
344
345	#------------- set up data read/write layer ----------------------
346	# trace routine on entryvar
347	proc entvartrace {array elem action} {
348	global expgui entrycmd entryvar
349	if !$entrycmd(trace) return
350
351	catch {
352	if {$entrycmd($elem) == ""} return
353	incr expgui(changed)
354	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
355	if {$entrycmd($elem) == ""} return
356	if [catch {
357	eval $entrycmd($elem) set [list $entryvar($elem)]
358	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
359	after idle {DisplayAllAtoms noreset}
360	}
361	} errmsg] {error $errmsg}
362	}
363	}
364
365	# disable traces on entryvar until we are ready
366	set entrycmd(trace) 0
367	trace variable entryvar w entvartrace
368
369	#
370	#
371	#
372	##############################################################################
373	##### #####################################################
374	##### PROCEDURES SECTION #####################################################
375	##### #####################################################
376	##############################################################################
377	# reset routine is used for debugging
378	proc reset {} {
379	global expgui script argv
380	set script $expgui(script)
381	set argv $expgui(expfile)
382	# remove traces
383	global entryvar
384	foreach cmd [trace vinfo entryvar] {
385	eval trace vdelete entryvar $cmd
386	}
387	global expgui
388	foreach cmd [trace vinfo expgui(backterms)] {
389	eval trace vdelete entryvar $cmd
390	}
391	foreach cmd [trace vinfo expgui(backtype)] {
392	eval trace vdelete entryvar $cmd
393	}
394	foreach a {
395	expmap expgui entryvar entrycmd
396	expgui_menulist expgui_cmdlist expgui_helplist
397	} {
398	global $a
399	catch {unset $a}
400	}
401	foreach w [winfo children .] {
402	destroy $w
403	}
404
405	uplevel #0 {source $script}
406	}
407
408	# save some of the global options in ~/.gsas_config
409	proc SaveOptions {} {
410	global expgui env tcl_platform
411	set fp [open [file join ~ .gsas_config] a]
412	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
413	puts $fp "set expgui($item) $expgui($item)"
414	}
415	if {$tcl_platform(platform) != "windows"} {
416	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
417	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
418	}
419	close $fp
420	}
421
422	proc About { } {
423	global expgui expmap
424	tk_dialog .about {About...} \
425	"EXPGUI\n\
426	Jonathan Wasserman and Brian Toby\n\
427	NIST Center for Neutron Research\n\n\
428	2000, Not subject to copyright\n\n\
429	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
430	Generalized Structure Analysis System (GSAS)\n\
431	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
432	" \
433	info 0 OK
434	}
435
436	# wait until idle
437	proc afterawhile {} {
438	# cancel any other instances of this loop
439	after cancel afterawhile
440	after cancel whenidle
441	after cancel whenidle
442	after idle whenidle
443	}
444
445	# This is called every 2 seconds to check for changes to the .EXP file
446	proc whenidle {} {
447	global expgui
448	if $expgui(titleunchanged) {
449	if {$expgui(changed) != 0} {
450	wm title . "$expgui(expfile) (modified)"
451	set expgui(titleunchanged) 0
452	}
453	}
454	if {$expgui(expModifiedLast) == 0} {
455	after 2000 afterawhile
456	return
457	}
458	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
459	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
460	if {$ans == 0} {
461	loadexp $expgui(expfile)
462	} elseif {$ans == 1} {
463	# reset the time to the next version
464	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
465	} elseif {$ans == 2} {
466	savearchiveexp
467	}
468	}
469	after 2000 afterawhile
470	}
471
472	# place a message about changes over the main window
473	proc ReloadExpMsg {file changes} {
474	global expgui tcl_platform
475	set msg "File $file has been modified by another program"
476	if {$changes == 1} {
477	append msg " and you have made a change to this version.\n"
478	} elseif {$changes > 0} {
479	append msg " and you have made $changes changes to this version.\n"
480	} else {
481	append msg ".\n"
482	}
483	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
484
485	set w .ask
486	catch {destroy $w}
487	toplevel $w -class Dialog
488	wm title $w "Reload?"
489	wm iconname $w "Reload?"
490	wm protocol $w WM_DELETE_WINDOW { }
491	wm transient $w .
492	frame $w.bot
493	pack $w.bot -side bottom
494	frame $w.top
495	pack $w.top -side top -fill both -expand 1
496	label $w.top.msg -justify left \
497	-wraplength 5i -font {Times 18} \
498	-text $msg
499	if {$tcl_platform(platform) == "windows"} {
500	$w.top.msg config -font {Times 14}
501	}
502	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
503	pack [button $w.bot.1 -text "Load new" \
504	-default active -command "set expgui(dialogbutton) 0" \
505	] -side left -expand 1 -padx 3m -pady 2m
506	pack [button $w.bot.2 -text "Continue with old" \
507	-command "set expgui(dialogbutton) 1"] \
508	-side left -expand 1 -padx 3m -pady 2m
509	if {$changes > 0} {
510	pack [button $w.bot.3 -text "Save edited version" \
511	-command "set expgui(dialogbutton) 2"] \
512	-side left -expand 1 -padx 3m -pady 2m
513	}
514	# Create a binding for <Return> on the dialog
515	bind $w <Return> "tkButtonInvoke $w.bot.1"
516	wm withdraw $w
517	update idletasks
518
519	# for windows put the box in the upper left, for
520	# unix center it over the parent (in unix it appears later)
521	#if {$tcl_platform(platform) == "windows"} {
522	#wm geom $w +0+0
523	#} else {
524
525	# for now, always center the message over the main window
526	# center the new window in the middle of the parent
527	set x [expr [winfo x .] + [winfo width .]/2 - \
528	[winfo reqwidth $w]/2 - [winfo vrootx .]]
529	set y [expr [winfo y .] + [winfo height .]/2 - \
530	[winfo reqheight $w]/2 - [winfo vrooty .]]
531	wm geom $w +$x+$y
532	#}
533	wm deiconify $w
534
535	# Grab the focus
536	set oldFocus [focus]
537	set oldGrab [grab current $w]
538	if {[string compare $oldGrab ""]} {
539	set grabStatus [grab status $oldGrab]
540	}
541	grab $w
542	focus $w.bot.1
543	# for windows rearrange window stacking
544	if {$tcl_platform(platform) == "windows"} {
545	lower .
546	raise $w .
547	}
548	update idletasks
549
550	tkwait variable expgui(dialogbutton)
551	catch {focus $oldFocus}
552	destroy $w
553	if {[string compare $oldGrab ""]} {
554	if {![string compare $grabStatus "global"]} {
555	grab -global $oldGrab
556	} else {
557	grab $oldGrab
558	}
559	}
560	# for windows rearrange window stacking
561	if {$tcl_platform(platform) == "windows"} {
562	raise .
563	}
564	return $expgui(dialogbutton)
565	}
566
567	# -------- called to confirm before exiting
568	proc catchQuit {} {
569	if {[confirmBeforeSave] == "Continue"} {
570	destroy .
571	}
572	}
573	# save the .EXP file before exiting?
574	proc confirmBeforeSave {} {
575	global expgui
576	if !$expgui(changed) {
577	return "Continue"
578	}
579	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
580	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
581	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
582	switch $decision {
583	0 { savearchiveexp; return "Continue" }
584	1 { return "Continue" }
585	2 { return "Cancel" }
586	}
587	}
588
589	proc archiveexp {} {
590	global expgui tcl_platform
591	# is there a file to archive
592	if {![file exists $expgui(expfile)]} return
593	catch {
594	set expnam [file rootname $expgui(expfile)]
595	if {$tcl_platform(platform) == "windows"} {
596	set version -1
597	catch {source $expnam.version}
598	incr version
599	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
600	# archive w/o pkzip
601	set file $expnam![format "%3.3d" $version].EXP
602	file copy -force $expnam.EXP $file
603	set fp [open $expnam.lst a]
604	puts $fp "\n--------------------------------------------------------------"
605	puts $fp "Archiving $expnam.EXP as $file"
606	puts $fp "--------------------------------------------------------------\n"
607	close $fp
608	} else {
609	# archive with PKZIP
610	# need to limit expnam to 8 characters
611	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
612	# PKZIP can't handle long dir names either
613	cd [set dir [file dirname $expnam]]
614	set file $sexp.[format "%3.3d" $version]
615	file copy -force $expnam.EXP $file
616	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
617	set fp [open $expnam.lst a]
618	puts $fp "\n--------------------------------------------------------------"
619	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
620	puts $fp "--------------------------------------------------------------\n"
621	close $fp
622	}
623	set fp [open $expnam.version w]
624	puts $fp "set version $version"
625	close $fp
626	} else {
627	set files [glob -nocomplain $expnam.EXP.*]
628	if {$files == ""} {
629	set file $expnam.EXP.000
630	} else {
631	set file [lindex [lsort -decreasing $files] 0]
632	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
633	incr number
634	set file $expnam.EXP.[format "%3.3d" $number]
635	}
636	file copy $expgui(expfile) $file
637	if [catch {exec gzip $file}] {
638	exec echo "\n----------------------------------------------" >> $expnam.LST
639	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
640	exec echo "----------------------------------------------\n" >> $expnam.LST
641	} else {
642	exec echo "\n----------------------------------------------" >> $expnam.LST
643	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
644	exec echo "----------------------------------------------\n" >> $expnam.LST
645	}
646	}
647	} errmsg
648	if {$errmsg != ""} {
649	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
650	}
651	}
652
653	# save and optionally archive the expfile
654	proc savearchiveexp {} {
655	global expgui expmap
656	if !$expgui(changed) return
657	if $expgui(archive) archiveexp
658	# add a history record
659	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
660	# now save the file
661	expwrite $expgui(expfile)
662	set expgui(changed) 0
663	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
664	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
665	wm title . $expgui(expfile)
666	set expgui(titleunchanged) 1
667	}
668
669	# setup buttons for each phase on the phase page
670	proc setphases {} {
671	global expgui expmap
672	eval destroy [winfo children $expgui(phaseFrame).top.ps]
673	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
674	foreach num $expmap(phaselist) type $expmap(phasetype) {
675	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
676	-command "SelectOnePhase $num" -padx 1.5m] -side left
677	if {$type > 3} {
678	$expgui(phaseFrame).top.ps.$num config -state disabled
679	}
680	}
681	if {[file executable $expgui(exptool)] && \
682	[llength $expmap(phaselist)]} {
683	pack [button $expgui(phaseFrame).top.ps.10 -text "Add Phase" \
684	-padx 1.5m -command MakeAddPhaseBox] -side left
685	}
686	}
687
688	# Procedure to respond to changes the phase.
689	# This loads the "phases" widgets with data corresponding to the selected phase.
690	proc SelectOnePhase {num} {
691	global entryvar entrycmd expmap expgui
692	set crsPhase {}
693	$expgui(atomxform) config -text "Xform Atoms" -state disabled
694	foreach n $expmap(phaselist) type $expmap(phasetype) {
695	if {$n == $num && $type <= 3} {
696	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
697	set crsPhase $num
698	if {$type == 3} {
699	set expgui(phasetype) "Magnetic\nOnly"
700	} elseif {$type == 2} {
701	set expgui(phasetype) "Magnetic\n& Nuclear"
702	} elseif {$type == 4} {
703	# this is not used at present
704	set expgui(phasetype) "Macromolecular"
705	} else {
706	set expgui(phasetype) ""
707	}
708	} else {
709	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
710	}
711	}
712	# no phase is selected
713	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
714	# disable traces on entryvar
715	set entrycmd(trace) 0
716	set entrycmd(phasename) ""
717	set entryvar(phasename) ""
718	foreach ent {a b c alpha beta gamma cellref celldamp} {
719	set entrycmd($ent) ""
720	set entryvar($ent) ""
721	}
722	set expgui(curPhase) {}
723	# enable traces on entryvar
724	set entrycmd(trace) 1
725	$expgui(EditingAtoms) config -text ""
726	DisplayAtom 0 0
727	DisplayU 0 0
728	DisplayRefFlags 0 0
729	$expgui(atomlistbox) delete 0 end
730	return
731	}
732
733	set expgui(curPhase) $crsPhase
734	# we have a phase
735
736	# disable traces on entryvar for right now
737	set entrycmd(trace) 0
738
739	##########################################################
740	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
741	##########################################################
742	# phase title
743	set entrycmd(phasename) "phaseinfo $crsPhase name"
744	set entryvar(phasename) [phaseinfo $crsPhase name]
745	# cell parameters & flags
746	foreach ent {a b c alpha beta gamma cellref celldamp} {
747	set entrycmd($ent) "phaseinfo $crsPhase $ent"
748	set entryvar($ent) [phaseinfo $crsPhase $ent]
749	}
750
751	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
752	# initialize to diasbled
753	DisplayAtom 0 0
754	DisplayU 0 0
755	DisplayRefFlags 0 0
756	$expgui(EditingAtoms) config -text ""
757
758	DisplayAllAtoms
759
760	# enable traces on entryvar now
761	set entrycmd(trace) 1
762	}
763
764	set expgui(noreenterDisplayAllAtoms) 0
765	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
766	proc DisplayAllAtoms {"mode reset"} {
767	global entryvar entrycmd expmap expgui
768	# if it does not show, dont bother
769	if {$expgui(pagenow) != "phaseFrame"} return
770	if {$expgui(curPhase) == ""} return
771	if $expgui(noreenterDisplayAllAtoms) return
772
773	set expgui(noreenterDisplayAllAtoms) 1
774	if {$mode != "reset"} {
775	# save the scrolled position
776	set pos [lindex [$expgui(atomlistbox) yview] 0]
777	} else {
778	# this is a reset -- clear the selected atoms list
779	set expgui(selectedatomlist) {}
780	}
781	$expgui(atomlistbox) delete 0 end
782	# loop over atoms
783	set maxline I
784	set phase $expgui(curPhase)
785	set atomlist {}
786	set typehead "type "
787	set namehead " name "
788	set multhead "Mult"
789	set coordhead " "
790	set frachead "Occupancy"
791	if {$expgui(asorttype) == "type"} {
792	# sort on atom type
793	set typehead "type* "
794	foreach atom $expmap(atomlist_$phase) {
795	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
796	}
797	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
798	} elseif {$expgui(asorttype) == "number"} {
799	# sort on atom number
800	set namehead "* name "
801	foreach atom $expmap(atomlist_$phase) {
802	lappend atomlist "$atom $atom $phase"
803	}
804	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
805	} elseif {$expgui(asorttype) == "mult"} {
806	# sort on atom number
807	set multhead "Mlt*"
808	foreach atom $expmap(atomlist_$phase) {
809	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
810	}
811	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
812	} elseif {$expgui(asorttype) == "occupancy"} {
813	# sort on atom number
814	set frachead " Occup* "
815	foreach atom $expmap(atomlist_$phase) {
816	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
817	}
818	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
819	} elseif {$expgui(asorttype) == "x"} {
820	# sort on x
821	set coordhead "(x*)"
822	foreach atom $expmap(atomlist_$phase) {
823	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
824	}
825	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
826	} elseif {$expgui(asorttype) == "y"} {
827	# sort on y
828	set coordhead "(y*)"
829	foreach atom $expmap(atomlist_$phase) {
830	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
831	}
832	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
833	} elseif {$expgui(asorttype) == "z"} {
834	# sort on z
835	set coordhead "(z*)"
836	foreach atom $expmap(atomlist_$phase) {
837	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
838	}
839	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
840	} else {
841	error "Bad expgui(asorttype) = $expgui(asorttype)"
842	}
843
844	foreach tuple $expmap(atomlistboxcontents) {
845	set atom [lindex $tuple 0]
846	set phase [lindex $tuple 2]
847	set refflag {}
848	foreach type {x u f} {
849	if {[atominfo $phase $atom ${type}ref]} {
850	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
851	} else {
852	append refflag " [atominfo $phase $atom ${type}damp] "
853	}
854	}
855	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
856	$atom \
857	[atominfo $phase $atom label] \
858	[atominfo $phase $atom type] \
859	$refflag \
860	[atominfo $phase $atom x] \
861	[atominfo $phase $atom y] \
862	[atominfo $phase $atom z] \
863	[atominfo $phase $atom mult] \
864	[atominfo $phase $atom frac]
865	]
866
867	# add temperature factors (iso/anoiso)
868	if {[atominfo $phase $atom temptype] == "A"} {
869	set maxline A
870	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
871	[atominfo $phase $atom U11] \
872	[atominfo $phase $atom U22] \
873	[atominfo $phase $atom U33] \
874	[atominfo $phase $atom U12] \
875	[atominfo $phase $atom U23] \
876	[atominfo $phase $atom U13]
877	]
878	} else {
879	append line [format " %9.5f" \
880	[atominfo $phase $atom Uiso]
881	]
882	}
883	$expgui(atomlistbox) insert end $line
884	}
885	$expgui(atomtitle) delete 0 end
886	if {$maxline == "A"} {
887	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
888	$namehead $typehead "ref/damp " \
889	"fractional coordinates$coordhead" \
890	"$multhead $frachead" \
891	" Uiso/Uij "]
892	} else {
893	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
894	$namehead $typehead "ref/damp " \
895	"fractional coordinates$coordhead" \
896	"$multhead $frachead" \
897	" Uiso"]
898	}
899	if {$mode != "reset"} {
900	# restore the selected items
901	foreach i $expgui(selectedatomlist) {
902	$expgui(atomlistbox) selection set $i
903	}
904	# restore the last scrolled position
905	$expgui(atomlistbox) yview moveto $pos
906	}
907	set expgui(noreenterDisplayAllAtoms) 0
908	}
909
910	# Procedure to select all atoms in response to a right-click
911	proc SelectAllAtoms {} {
912	global expgui
913	$expgui(atomlistbox) selection set 0 end
914	# call editRecord in case trace was called before the selection was made
915	editRecord
916	}
917
918	# Procedure to respond to left mouse release in the atoms Pane
919	proc editRecord { args } {
920	global entrycmd expgui
921	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
922	# disable traces on entryvar for right now
923	set entrycmd(trace) 0
924
925	if {[llength $expgui(selectedatomlist)] == 0} {
926	if $expgui(debug) {error "Attempt display non-existent atoms"}
927	} elseif {[llength $expgui(selectedatomlist)] == 1} {
928	editOneRecord $expgui(selectedatomlist)
929	} else {
930	editMultipleRecords $expgui(selectedatomlist)
931	}
932	# reenable traces on entryvar
933	set entrycmd(trace) 1
934	# repaint the atoms box in case anything was changed
935	# DisplayAllAtoms noreset
936	}
937
938	proc editOneRecord { AtomIndex } {
939	global expmap expgui
940	# get atom number & phase
941	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
942	set atomnum [lindex $tuple 0]
943	set p [lindex $tuple 2]
944	DisplayU $atomnum $p
945	DisplayAtom $atomnum $p
946	DisplayRefFlags $atomnum $p
947	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
948	$expgui(atomxform) config -text "Xform Atom" -state normal
949	}
950
951	# this will not work for a multi-phase list of atoms (yet)
952	proc editMultipleRecords { AtomIndexList } {
953	global expmap expgui
954	set numberList {}
955	# current phase
956	set p $expgui(curPhase)
957	foreach AtomIndex $AtomIndexList {
958	# get atom number & phase
959	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
960	lappend numberList [lindex $tuple 0]
961	# set p [lindex $tuple 2]
962	}
963	# this needs to track by phase
964	$expgui(EditingAtoms) config -text \
965	"Set refinement options: atoms [CompressList $numberList]"
966	DisplayU 0 0
967	DisplayAtom 0 0
968	# this needs to track by phase
969	DisplayRefFlags $numberList $p
970	$expgui(atomxform) config -text "Xform Atoms" -state normal
971	}
972
973	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
974	# becomes "1-4,6,7,13-15,19"
975	proc CompressList {numberList} {
976	# format the number list to save space
977	set lastnum -99
978	set flist {}
979	set count 0
980	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
981	foreach num $sortlist {
982	set next [expr $lastnum+1]
983	if {$num != $next} {
984	if {$count == 0 && $flist != ""} {
985	append flist ",$num"
986	} elseif {$count == 1 && $flist != ""} {
987	append flist ",$lastnum,$num"
988	} elseif {$flist != ""} {
989	append flist "-$lastnum,$num"
990	} else {
991	append flist "$num"
992	}
993	set lastnum $num
994	set count 0
995	} else {
996	incr count
997	incr lastnum
998	}
999	}
1000	if {$count == 1 && $flist != ""} {
1001	append flist ",$lastnum"
1002	} elseif {$flist != "" && $count > 1} {
1003	append flist "-$lastnum"
1004	}
1005	return $flist
1006	}
1007
1008	# Procedure to display Isotropic or Anisotropic temperature factors
1009	# Changes the display to one entry widget for Isotropic motion OR
1010	# 6 entry widgets for Anisotropic motion in Frame3.
1011	# or disables the widet entirly if atom = 0
1012	proc DisplayU { atomnum p} {
1013	global expgui entryvar entrycmd
1014	if {$atomnum == 0} {
1015	set iOrA disable
1016	} else {
1017	set iOrA [atominfo $p $atomnum temptype]
1018	}
1019
1020	set firstbox [lindex $expgui(anisolabels) 0]
1021	if { $iOrA == "A" } {
1022	$firstbox config -text "U11 "
1023	foreach item $expgui(anisolabels) {
1024	$item config -fg black
1025	}
1026	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1027	set entrycmd($var) "atominfo $p $atomnum $var"
1028	set entryvar($var) [eval $entrycmd($var)]
1029	$item config -fg black -state normal -bg white
1030	}
1031	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1032	foreach item $expgui(anisolabels) {
1033	# $item config -fg grey
1034	$item config -fg beige
1035	}
1036	foreach item [lrange $expgui(anisoentry) 1 end] \
1037	var {U22 U33 U12 U13 U23} {
1038	set entrycmd($var) ""
1039	set entryvar($var) ""
1040	$item config -fg beige -bg beige -state disabled
1041	}
1042	if { $iOrA == "disable"} {
1043	set entrycmd($var) ""
1044	set entryvar($var) ""
1045	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1046	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1047	} else {
1048	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1049	set entryvar(U11) [eval $entrycmd(U11)]
1050	$firstbox config -text Uiso -fg black
1051	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1052	}
1053	}
1054	}
1055
1056	# need to think about multiple phases
1057
1058	# Procedure to display refinement flags
1059	proc DisplayRefFlags { atomnum p} {
1060	global expgui entryvar entrycmd
1061	if {$atomnum == 0} {
1062	foreach label $expgui(atomreflbl) {
1063	$label config -fg beige
1064	}
1065	foreach entry $expgui(atomref) {
1066	$entry config -state disabled -fg beige -bg beige
1067	}
1068	return
1069	}
1070	foreach label $expgui(atomreflbl) {
1071	$label config -fg black
1072	}
1073	foreach entry $expgui(atomref) {
1074	$entry config -state normal -fg black -bg beige
1075	}
1076	foreach var {xref uref fref xdamp udamp fdamp} {
1077	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1078	set entryvar($var) [eval $entrycmd($var)]
1079	}
1080	}
1081
1082	# Procedure to display an atom in the atom edit boxes
1083	proc DisplayAtom { atomnum p} {
1084	global expgui entryvar entrycmd
1085	if {$atomnum == 0} {
1086	foreach label $expgui(atomlabels) {
1087	$label config -fg beige
1088	}
1089	foreach entry $expgui(atomentry) {
1090	$entry config -state disabled -fg beige -bg beige
1091	}
1092	return
1093	}
1094	foreach label $expgui(atomlabels) {
1095	$label config -fg black
1096	}
1097	foreach entry $expgui(atomentry) {
1098	$entry config -state normal -fg black -bg white
1099	}
1100	foreach var {x y z label frac } {
1101	set entrycmd($var) "atominfo $p $atomnum $var"
1102	set entryvar($var) [eval $entrycmd($var)]
1103	}
1104	}
1105
1106	# make a histogram box; used in MakeHistPane,
1107	proc MakeHistBox {frm} {
1108	global expgui
1109	grid [label $frm.mode -text "Select a Histogram" \
1110	-bg beige -anchor center] \
1111	-row 0 -column 0 -columnspan 2 -sticky ew
1112	bind $frm.mode <Button-1> {
1113	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1114	set expgui(globalmode) [lindex \
1115	"$expgui(AllowedHistSelectModes) \
1116	$expgui(AllowedHistSelectModes)" [incr i]]
1117	sethistlist
1118	}
1119	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1120	grid [listbox $frm.title -height 1 -relief flat \
1121	-exportselection 0 \
1122	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1123	grid [listbox $frm.lbox -height 10 -width 25 \
1124	-exportselection 0 \
1125	-font $expgui(histfont) \
1126	-xscrollcommand "$frm.x set" \
1127	-yscrollcommand "$frm.y set" \
1128	] -row 2 -column 0 -sticky news
1129	lappend expgui(HistSelectList) $frm
1130	grid [scrollbar $frm.x -orient horizontal \
1131	-command "move2boxes \" $frm.title $frm.lbox \" "
1132	] -row 3 -column 0 -sticky ew
1133	grid [scrollbar $frm.y \
1134	-command "$frm.lbox yview"] \
1135	-row 2 -column 1 -sticky ns
1136	grid columnconfigure $frm 0 -weight 1
1137	grid rowconfigure $frm 2 -weight 1
1138	}
1139
1140	# update the histogram list
1141	# to do: show histogram ref flags?
1142	proc sethistlist {} {
1143	global expgui expmap
1144	array set lbl {
1145	1 "Select 1 or more\nTOF Histograms"
1146	2 "Select 1 or more\nCW Neutron Histograms"
1147	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1148	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1149	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1150	6 "Select 1 or more of\n any type Histograms"
1151	}
1152	foreach lbox $expgui(HistSelectList) {
1153	$lbox.title delete 0 end
1154	$lbox.lbox delete 0 end
1155	if {$expgui(globalmode) != 0} {
1156	$lbox.lbox config -selectmode extended
1157	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1158	} else {
1159	$lbox.lbox config -selectmode browse
1160	$lbox.mode config -text "Select a histogram" -bg beige
1161	}
1162	}
1163	# disable the unallowed pages in all mode
1164	if {$expgui(globalmode) == 6} {
1165	foreach pair $expgui(GlobalModeAllDisable) {
1166	if {$expgui(pagenow) == [lindex $pair 0]} {
1167	RaisePage lsFrame
1168	}
1169	eval [lindex $pair 1] -state disabled
1170	}
1171	} else {
1172	foreach pair $expgui(GlobalModeAllDisable) {
1173	eval [lindex $pair 1] -state normal
1174	}
1175	}
1176	set histlist {}
1177	if {$expgui(hsorttype) == "type"} {
1178	# sort on histogram type
1179	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1180	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1181	}
1182	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1183	} elseif {$expgui(hsorttype) == "number"} {
1184	# sort on histogram number
1185	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1186	lappend histlist "$h $h"
1187	}
1188	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1189	} elseif {$expgui(hsorttype) == "bank"} {
1190	# sort on original bank number
1191	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1192	lappend histlist "$h [histinfo $h bank]"
1193	}
1194	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1195	} elseif {$expgui(hsorttype) == "angle"} {
1196	# sort on wavelength (CW) or angle (E disp.)
1197	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1198	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1199	set det [format %8.2f [histinfo $h tofangle]]
1200	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1201	set det [format %8.5f [histinfo $h lam1]]
1202	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1203	set det [format %8.2f [histinfo $h lam1]]
1204	} else {
1205	set det {}
1206	}
1207	lappend histlist "$h $det"
1208	}
1209	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1210	}
1211
1212	# title field needs to match longest title
1213	foreach lbox $expgui(HistSelectList) {
1214	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1215	"h#" \
1216	type \
1217	bank \
1218	"ang/wave" \
1219	" title" \
1220	]
1221	}
1222	foreach tuple $expmap(histlistboxcontents) {
1223	set h [lindex $tuple 0]
1224
1225	if {$expgui(globalmode) == 1} {
1226	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1227	} elseif {$expgui(globalmode) == 2} {
1228	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1229	} elseif {$expgui(globalmode) == 3} {
1230	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1231	[histinfo $h lam2] == 0.0} continue
1232	} elseif {$expgui(globalmode) == 4} {
1233	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1234	[histinfo $h lam2] != 0.0} continue
1235	} elseif {$expgui(globalmode) == 5} {
1236	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1237	}
1238
1239	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1240	set det [format %8.2f [histinfo $h tofangle]]
1241	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1242	set det [format %8.5f [histinfo $h lam1]]
1243	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1244	set det [format %8.2f [histinfo $h lam1]]
1245	} else {
1246	set det {}
1247	}
1248	foreach lbox $expgui(HistSelectList) {
1249	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1250	$h \
1251	[string range $expmap(htype_$h) 1 2] \
1252	[histinfo $h bank] \
1253	$det \
1254	[string range [histinfo $h title] 0 66] \
1255	]
1256	}
1257	}
1258	UpdateCurrentPage
1259	}
1260
1261	proc UpdateCurrentPage {} {
1262	global expgui
1263	foreach set $expgui(frameactionlist) {
1264	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1265	}
1266	}
1267
1268	#-----------------------------------------------------------------------
1269	# ----------- draw Histogram page
1270	#-----------------------------------------------------------------------
1271	proc DisplayHistogram {} {
1272	global expgui entrycmd entryvar expmap
1273
1274	# trap if more than one histogram is selected unless global mode
1275	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1276	set expgui(curhist) [lindex $expgui(curhist) 0]
1277	}
1278
1279	# display the selected histograms
1280	$expgui(histFrame).hs.lbox selection clear 0 end
1281	foreach h $expgui(curhist) {
1282	$expgui(histFrame).hs.lbox selection set $h
1283	}
1284
1285	# disable traces on entryvar for right now
1286	set entrycmd(trace) 0
1287
1288	# get histogram list
1289	set histlist {}
1290	foreach item $expgui(curhist) {
1291	lappend histlist [lindex $expmap(powderlist) $item]
1292	}
1293	# must have at least one histogram selected here
1294	if {[llength $histlist] == 0} {
1295	set expgui(backtermlbl) ""
1296	set expgui(backtypelbl) ""
1297	foreach var {bref bdamp} {
1298	set entrycmd($var) ""
1299	set entryvar($var) ""
1300	}
1301	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1302	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1303	set expgui(bkglbl) ""
1304	eval destroy [winfo children $expgui(diffBox)]
1305	set entrycmd(trace) 1
1306	return
1307	}
1308
1309	if {$expgui(globalmode) != 0} {
1310	set expgui(backtermlbl) ""
1311	set expgui(backtypelbl) ""
1312	foreach var {bref bdamp} {
1313	set entrycmd($var) "histinfo [list $histlist] $var"
1314	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1315	}
1316	} else {
1317	set hist $histlist
1318	set terms [histinfo $hist backterms]
1319	set expgui(backtermlbl) "($terms terms)"
1320	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1321	foreach var {bref bdamp} {
1322	set entrycmd($var) "histinfo $hist $var"
1323	set entryvar($var) [eval $entrycmd($var)]
1324	}
1325	}
1326	# Top box
1327	if $expgui(haveBW) {
1328	catch {destroy $expgui(histFrame).pflag}
1329	}
1330	if {$expgui(globalmode) != 0} {
1331	$expgui(histFrame).top.txt config \
1332	-text "Selected Histograms: [CompressList $histlist]"
1333	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1334	set expgui(bkglbl) "Globally Edit Background"
1335	} else {
1336	grid forget $expgui(histFrame).top
1337	set expgui(bkglbl) "Edit Background"
1338	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1339	TitleFrame $expgui(histFrame).pflag \
1340	-borderwidth 4 -side left -relief groove \
1341	-text "Phase Flags"
1342	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1343	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1344	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1345	foreach p $expmap(phaselist) {
1346	pack [checkbutton $expgui(pflag).$p \
1347	-command "GetPhaseFlags $hist" \
1348	-variable expgui(pflag$p) -text $p] -side left
1349	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1350	set expgui(pflag$p) 0
1351	} else {
1352	set expgui(pflag$p) 1
1353	}
1354	}
1355	}
1356	}
1357
1358	# diffractometer constants
1359	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1360	wref pref dcref daref ratref ttref zref } {
1361	set entrycmd($var) "histinfo [list $histlist] $var"
1362	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1363	}
1364
1365	eval destroy [winfo children $expgui(diffBox)]
1366	if {$expgui(globalmode) == 0} {
1367	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1368	#------
1369	# TOF \|
1370	#------
1371	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1372	-column 1 -row 1
1373	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1374	-column 2 -row 1
1375	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1376	-column 3 -row 1 -sticky w
1377	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1378	-width 15 ] -column 4 -row 1
1379	#
1380	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1381	-column 1 -row 2
1382	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1383	-column 2 -row 2
1384	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1385	-column 3 -row 2
1386	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1387	-width 15 ] -column 4 -row 2
1388	#
1389	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1390	-column 3 -row 3
1391	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1392	-width 15 ] -column 4 -row 3
1393	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1394	-column 1 -row 3 -sticky w
1395	grid [ checkbutton $expgui(diffBox).rfDCzref \
1396	-variable entryvar(zref) ] -column 2 -row 3
1397	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1398	#---------------
1399	# CW - neutron \|
1400	#---------------
1401	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1402	-column 1 -row 1
1403	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1404	-column 2 -row 1
1405	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1406	-column 3 -row 1 -sticky w
1407	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1408	-width 15 ] -column 4 -row 1
1409	#
1410	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1411	-column 1 -row 3 -sticky w
1412	grid [ checkbutton $expgui(diffBox).rfDCzref \
1413	-variable entryvar(zref) ] -column 2 -row 3
1414	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1415	-column 3 -row 3
1416	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1417	-width 15 ] -column 4 -row 3
1418	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1419	[histinfo $hist lam2] == 0.0} {
1420	#--------------------------
1421	# CW - x-ray 1 wavelength \|
1422	#--------------------------
1423	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1424	-column 1 -row 1
1425	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1426	-column 2 -row 1
1427	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1428	-column 3 -row 1 -sticky w
1429	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1430	-width 15 ] -column 4 -row 1
1431	#
1432	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1433	-column 1 -row 3 -sticky w
1434	grid [ checkbutton $expgui(diffBox).rfDCzref \
1435	-variable entryvar(zref) ] -column 2 -row 3
1436	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1437	-column 3 -row 3
1438	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1439	-width 15 ] -column 4 -row 3
1440	#
1441	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1442	-column 1 -row 4 -sticky w
1443	grid [ checkbutton $expgui(diffBox).rfDCpref \
1444	-variable entryvar(pref) ] -column 2 -row 4
1445	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1446	-column 3 -row 4
1447	grid [ entry $expgui(diffBox).eDCpola \
1448	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1449	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1450	-column 5 -row 4
1451	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1452	-textvariable entryvar(ipola)] -column 6 -row 4
1453	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1454	#---------------------------
1455	# CW - x-ray 2 wavelengths \|
1456	#---------------------------
1457	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1458	-column 3 -row 1 -sticky w
1459	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1460	-width 15 ] -column 4 -row 1
1461	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1462	-width 15 ] -column 5 -row 1
1463	#
1464	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1465	-column 1 -row 2 -sticky w
1466	grid [ checkbutton $expgui(diffBox).rfDCrref \
1467	-variable entryvar(ratref) ] -column 2 -row 2
1468	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1469	-column 3 -row 2
1470	grid [ entry $expgui(diffBox).eDCkratio \
1471	-textvariable entryvar(kratio) \
1472	-width 15 ] -column 4 -row 2
1473	#
1474	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1475	-column 3 -row 3
1476	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1477	-width 15 ] -column 4 -row 3
1478	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1479	-column 1 -row 3 -sticky w
1480	grid [ checkbutton $expgui(diffBox).rfDCzref \
1481	-variable entryvar(zref) ] -column 2 -row 3
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 [ label $expgui(diffBox).lDCpola -text POLA ] \
1487	-column 3 -row 4
1488	grid [ entry $expgui(diffBox).eDCpola \
1489	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1490	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1491	-column 5 -row 4
1492	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1493	-textvariable entryvar(ipola)] -column 6 -row 4
1494	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1495	#-------------
1496	# ED - x-ray \|
1497	#-------------
1498	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1499	-column 1 -row 1
1500	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1501	-column 2 -row 1
1502	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1503	-column 3 -row 1 -sticky w
1504	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1505	-width 15 ] -column 4 -row 1
1506	#
1507	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1508	-column 1 -row 4 -sticky w
1509	grid [ checkbutton $expgui(diffBox).rfDCpref \
1510	-variable entryvar(pref) ] -column 2 -row 4
1511	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1512	-column 3 -row 4
1513	grid [ entry $expgui(diffBox).eDCpola \
1514	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1515	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1516	-column 5 -row 4
1517	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1518	-textvariable entryvar(ipola)] -column 6 -row 4
1519	}
1520	} elseif {$expgui(globalmode) == 1} {
1521	#-------------
1522	# Global TOF \|
1523	#-------------
1524	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1525	-column 1 -row 1
1526	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1527	-column 2 -row 1
1528	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1529	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1530	#
1531	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1532	-column 1 -row 2
1533	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1534	-column 2 -row 2
1535	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1536	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1537	#
1538	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1539	-column 1 -row 3 -sticky w
1540	grid [ checkbutton $expgui(diffBox).rfDCzref \
1541	-variable entryvar(zref) ] -column 2 -row 3
1542	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1543	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1544	} elseif {$expgui(globalmode) == 2} {
1545	#--------------------
1546	# Global CW neutron \|
1547	#--------------------
1548	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1549	-column 1 -row 1
1550	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1551	-column 2 -row 1
1552	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1553	-command "editglobalparm histinfo lam1 Wavelength"] \
1554	-column 3 -row 1
1555	#
1556	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1557	-column 1 -row 3 -sticky w
1558	grid [ checkbutton $expgui(diffBox).rfDCzref \
1559	-variable entryvar(zref) ] -column 2 -row 3
1560	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1561	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1562	} elseif {$expgui(globalmode) == 4} {
1563	#----------------------
1564	# Global CW mono xray \|
1565	#----------------------
1566	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1567	-column 1 -row 1
1568	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1569	-column 2 -row 1
1570	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1571	-command "editglobalparm histinfo lam1 Wavelength"] \
1572	-column 3 -row 1
1573	#
1574	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1575	-column 1 -row 3 -sticky w
1576	grid [ checkbutton $expgui(diffBox).rfDCzref \
1577	-variable entryvar(zref) ] -column 2 -row 3
1578	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1579	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1580	#
1581	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1582	-column 1 -row 4 -sticky w
1583	grid [ checkbutton $expgui(diffBox).rfDCpref \
1584	-variable entryvar(pref) ] -column 2 -row 4
1585	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1586	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1587	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1588	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1589	} elseif {$expgui(globalmode) == 3} {
1590	#------------------------
1591	# Global alpha 1,2 xray \|
1592	#------------------------
1593	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1594	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1595	-column 3 -row 1
1596	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1597	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1598	-column 4 -row 1
1599	#
1600	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1601	-column 1 -row 3 -sticky w
1602	grid [ checkbutton $expgui(diffBox).rfDCratref \
1603	-variable entryvar(ratref) ] -column 2 -row 3
1604	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1605	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1606	-column 3 -row 3
1607	#
1608	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1609	-column 1 -row 3 -sticky w
1610	grid [ checkbutton $expgui(diffBox).rfDCzref \
1611	-variable entryvar(zref) ] -column 2 -row 3
1612	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1613	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1614	#
1615	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1616	-column 1 -row 4 -sticky w
1617	grid [ checkbutton $expgui(diffBox).rfDCpref \
1618	-variable entryvar(pref) ] -column 2 -row 4
1619	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1620	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1621	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1622	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1623	} elseif {$expgui(globalmode) == 5} {
1624	#-----------------
1625	# Global ED xray \|
1626	#-----------------
1627	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1628	-column 1 -row 1
1629	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1630	-column 2 -row 1
1631	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1632	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1633	-column 3 -row 1
1634	#
1635	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1636	-column 1 -row 4 -sticky w
1637	grid [ checkbutton $expgui(diffBox).rfDCpref \
1638	-variable entryvar(pref) ] -column 2 -row 4
1639	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1640	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1641	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1642	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1643	}
1644	if {$expgui(globalmode) == 0} {
1645	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1646	-columnspan 2 -sticky e
1647	} else {
1648	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1649	-columnspan 2 -sticky e
1650	}
1651	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1652	-column 1 -row 1
1653	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1654	grid $expgui(diffBox).d.om -column 2 -row 1
1655	grid columnconfigure $expgui(diffBox) 9 -weight 1
1656	grid columnconfigure $expgui(diffBox) 0 -weight 1
1657	update idletasks
1658	# enable traces on entryvar now
1659	set entrycmd(trace) 1
1660	}
1661
1662	# this gets the phase flags as set in the expgui(pflag*) elements
1663	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1664	# accordingly using SetPhaseFlag
1665	proc GetPhaseFlags {hist} {
1666	global expmap expgui
1667	set plist {}
1668	foreach p $expmap(phaselist) {
1669	if {$expgui(pflag$p)} {lappend plist $p}
1670	}
1671	SetPhaseFlag $hist $plist
1672	incr expgui(changed)
1673	mapexp
1674	}
1675
1676	#-----------------------------------------------------------------------
1677	# populate the Scaling page
1678	#-----------------------------------------------------------------------
1679	proc DisplayFrac {} {
1680	global expgui entrycmd entryvar expmap
1681
1682	# trap if more than one histogram is selected unless global mode
1683	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1684	set expgui(curhist) [lindex $expgui(curhist) 0]
1685	}
1686
1687	# display the selected histograms
1688	$expgui(fracFrame).hs.lbox selection clear 0 end
1689	foreach h $expgui(curhist) {
1690	$expgui(fracFrame).hs.lbox selection set $h
1691	}
1692
1693	# disable traces on entryvar
1694	set entrycmd(trace) 0
1695
1696	# get histogram list
1697	set histlist {}
1698	foreach item $expgui(curhist) {
1699	lappend histlist [lindex $expmap(powderlist) $item]
1700	}
1701
1702	# must have at least one histogram selected here
1703	if {[llength $histlist] == 0} {
1704	foreach var {scale sref sdamp} {
1705	set entrycmd($var) ""
1706	set entryvar($var) ""
1707	}
1708	set parm [grid info $expgui(scaleBox).but1]
1709	if {$parm != ""} {
1710	grid forget $expgui(scaleBox).but1
1711	eval grid $expgui(scaleBox).ent1 $parm
1712	}
1713	# destroy the contents of the frame
1714	set phaseFractf1 $expgui(FracBox).f
1715	eval destroy [winfo children $phaseFractf1]
1716	# reenable traces on entryvar
1717	set entrycmd(trace) 1
1718	return
1719	}
1720
1721	#--------------
1722	# Scale factor
1723	#--------------
1724	if {$expgui(globalmode) != 0} {
1725	foreach var {scale sref sdamp} {
1726	set entrycmd($var) "histinfo [list $histlist] $var"
1727	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1728	}
1729	set parm [grid info $expgui(scaleBox).ent1]
1730	if {$parm != ""} {
1731	grid forget $expgui(scaleBox).ent1
1732	eval grid $expgui(scaleBox).but1 $parm
1733	}
1734	} else {
1735	set hist $histlist
1736	foreach var {scale sref sdamp} {
1737	set entrycmd($var) "histinfo $hist $var"
1738	set entryvar($var) [eval $entrycmd($var)]
1739	}
1740	set parm [grid info $expgui(scaleBox).but1]
1741	if {$parm != ""} {
1742	grid forget $expgui(scaleBox).but1
1743	eval grid $expgui(scaleBox).ent1 $parm
1744	}
1745	}
1746
1747	#----------------
1748	# Phase Fractions
1749	#----------------
1750	set phaseFractf1 $expgui(FracBox).f
1751	# destroy the contents of the frame
1752	eval destroy [winfo children $phaseFractf1]
1753	if {$expgui(globalmode) != 0} {
1754	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1755	} else {
1756	set txt "Phase Fractions"
1757	}
1758	if $expgui(haveBW) {
1759	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1760	} else {
1761	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1762	-column 0 -row 0 -sticky news
1763	}
1764	# Create the frame inside the canvas, One frame for each Phase.
1765	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1766	foreach hist $histlist {
1767	foreach i $expmap(phaselist_$hist) {
1768	lappend phasehistlist($i) $hist
1769	}
1770	}
1771	foreach i {1 2 3 4 5 6 7 8 9} {
1772	if {[llength $phasehistlist($i)] == 0} continue
1773	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1774	grid $framePF -column 0 -row $i -sticky ew
1775	# Label Heading for each phase.
1776	if {$expgui(globalmode) != 0} {
1777	grid [label $framePF.l1 \
1778	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1779	-column 0 -row 0 -sticky nws
1780	grid [button $framePF.but1 -text "Set Globally" \
1781	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1782	[list $phasehistlist($i)] $i" \
1783	] -column 1 -row 0
1784	} else {
1785	grid [label $framePF.l1 -text "Phase $i"] \
1786	-column 0 -row 0 -sticky nws
1787	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1788	-column 1 -row 0
1789	}
1790	set entrycmd(frac$i) "hapinfo $hist $i frac"
1791	set entryvar(frac$i) [hapinfo $hist $i frac]
1792	grid [label $framePF.l2 -text " Refine"] \
1793	-column 2 -row 0 -sticky nws
1794	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1795	-column 3 -row 0 -sticky nws
1796	set entrycmd(frref$i) "hapinfo $hist $i frref"
1797	set entryvar(frref$i) [hapinfo $hist $i frref]
1798	grid [label $framePF.l3 -text " Damping"] \
1799	-column 4 -row 0 -sticky nws
1800	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1801	0 1 2 3 4 5 6 7 8 9
1802	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1803	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1804	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1805	}
1806	# resize the scroll window to match the actual
1807	update idletasks
1808	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1809	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1810	update idletasks
1811	# enable traces on entryvar now
1812	set entrycmd(trace) 1
1813	}
1814
1815	#-----------------------------------------------------------------------
1816	# display the profile page
1817	#-----------------------------------------------------------------------
1818	proc DisplayProfile {} {
1819	global expgui entrycmd entryvar expmap
1820
1821	# trap if more than one histogram is selected unless global mode
1822	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1823	set expgui(curhist) [lindex $expgui(curhist) 0]
1824	}
1825	# display the selected histograms
1826	$expgui(profFrame).hs.lbox selection clear 0 end
1827	foreach h $expgui(curhist) {
1828	$expgui(profFrame).hs.lbox selection set $h
1829	}
1830
1831	# destroy the contents of the frame
1832	eval destroy [winfo children $expgui(ProfileBox).f]
1833
1834	if {$expgui(globalmode) == 0} {
1835	# must have at least one histogram selected here
1836	if {[llength $expgui(curhist)] == 0} return
1837	# disable traces on entryvar for right now
1838	set entrycmd(trace) 0
1839	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1840	# no defined histograms?
1841	if {$hist == ""} return
1842	# Create one frame for each Phase.
1843	set ind -1
1844	set htype [string range $expmap(htype_$hist) 2 2]
1845	foreach i $expmap(phaselist_$hist) {
1846	incr ind
1847	# Label Heading for each phase.
1848	set ptype [string trim [hapinfo $hist $i proftype]]
1849	if {$expgui(haveBW)} {
1850	grid [TitleFrame $expgui(ProfileBox).f.$i \
1851	-text "Hist $hist -- Phase $i (type $ptype)" \
1852	-relief groove -bd 2] \
1853	-column 0 -row $ind -sticky ew
1854	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1855	grid [frame $ProfileFrame.1] \
1856	-column 0 -row 0 -columnspan 10
1857	pack [label $ProfileFrame.1.l \
1858	-text Damping]\
1859	-side left
1860	} else {
1861	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1862	-column 0 -row $ind -sticky ew
1863	set ProfileFrame $expgui(ProfileBox).f.$i
1864	grid [frame $ProfileFrame.1] \
1865	-column 0 -row 0 -columnspan 10 -sticky ew
1866	pack [label $ProfileFrame.1.l \
1867	-text "Phase $i (type $ptype) Damping"]\
1868	-side left
1869	}
1870	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1871	0 1 2 3 4 5 6 7 8 9
1872	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1873	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1874	pack $ProfileFrame.1.tkOptDamp -side left
1875	pack [label $ProfileFrame.1.l1 \
1876	-text " Peak cutoff"]\
1877	-side left
1878	pack [entry $ProfileFrame.1.e1 \
1879	-width 10 -textvariable entryvar(pcut_$i)]\
1880	-side left
1881	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1882	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1883
1884	pack [button $ProfileFrame.1.b1 \
1885	-text "Change Type" \
1886	-command "ChangeProfileType $hist $i"]\
1887	-side left
1888
1889	set col -1
1890	set row 1
1891	set nterms [hapinfo $hist $i profterms]
1892	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1893	for { set num 1 } { $num <= $nterms } { incr num } {
1894	set term {}
1895	catch {set term [lindex $lbls $num]}
1896	if {$term == ""} {set term $num}
1897	incr col
1898	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1899	-row $row -column $col
1900	incr col
1901	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1902	-variable entryvar(pref${num}_$i)] -row $row -column $col
1903	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1904	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1905	incr col
1906	grid [entry $ProfileFrame.ent${num}_${i} \
1907	-textvariable entryvar(pterm${num}_$i)\
1908	-width 12] -row $row -column $col
1909	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1910	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1911	if {$col > 6} {set col -1; incr row}
1912	}
1913	}
1914	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1915	} else {
1916	# get histogram list
1917	set histlist {}
1918	foreach item $expgui(curhist) {
1919	lappend histlist [lindex $expmap(powderlist) $item]
1920	}
1921	# must have at least one histogram selected here
1922	if {[llength $histlist] == 0} return
1923	# disable traces on entryvar for right now
1924	set entrycmd(trace) 0
1925	# loop through histograms & phases, set up an array by phase & profile type
1926	catch {unset prtyparray histarray phasearray}
1927	foreach hist $histlist {
1928	foreach phase $expmap(phaselist_$hist) {
1929	set prtyp [string trim [hapinfo $hist $phase proftype]]
1930	set key ${prtyp}_$phase
1931	lappend prtyparray($key) $hist
1932	lappend histarray($key) $hist
1933	lappend phasearray($key) $phase
1934	}
1935	}
1936
1937	set ptype ""
1938	set i -1
1939	# loop over all combined phases and profile types, sorted 1st by profile number
1940	foreach key [lsort [array names prtyparray]] {
1941	# split key
1942	scan $key %d_%d prftyp p
1943
1944	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1945	set ptype $prftyp
1946	set curhistlist $histarray($key)
1947	set curphaslist $phasearray($key)
1948
1949	set hist1 [lindex $curhistlist 0]
1950	set phase1 [lindex $curphaslist 0]
1951	set nterms [hapinfo $hist1 $phase1 profterms]
1952	set htype [string range $expmap(htype_$hist1) 2 2]
1953	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1954	# Create a frame for this type
1955	incr i
1956	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1957	if {$expgui(haveBW)} {
1958	grid [TitleFrame $expgui(ProfileBox).f.$i \
1959	-text "(type $ptype)" \
1960	-relief groove -bd 2] \
1961	-column 0 -row $i -sticky ew
1962	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1963	grid [frame $ProfileFrame.0] \
1964	-column 0 -row 0 -columnspan 20 -sticky ew
1965	} else {
1966	grid [frame $expgui(ProfileBox).f.$i \
1967	-relief groove -bd 4] \
1968	-column 0 -row $i -sticky ew
1969	set ProfileFrame $expgui(ProfileBox).f.$i
1970	grid [frame $ProfileFrame.0] \
1971	-column 0 -row 0 -columnspan 20 -sticky ew
1972	grid [label $ProfileFrame.0.0 \
1973	-text "Profile Type $ptype "] -row 0 -column 0
1974	}
1975	grid [label $ProfileFrame.0.1 \
1976	-anchor w] -row 0 -column 1
1977	grid [frame $ProfileFrame.1] \
1978	-column 0 -row 1 -columnspan 20 -sticky ew
1979	grid [label $ProfileFrame.1.2 \
1980	-text "Damping"] -row 0 -column 2
1981	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1982	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1983	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1984	grid [button $ProfileFrame.1.edit \
1985	-text "Global Edit"] -row 0 -column 4 -sticky w
1986	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1987	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
1988	-row 0 -column 5 -sticky w
1989	set col -1
1990	set row 2
1991	for { set num 1 } { $num <= $nterms } { incr num } {
1992	set term {}
1993	catch {set term [lindex $lbls $num]}
1994	if {$term == ""} {set term $num}
1995	incr col
1996	grid [label $ProfileFrame.l${num}_${i} \
1997	-text "$term"] -row $row -column $col
1998	incr col
1999	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2000	-variable entryvar(pref${num}_$i)] \
2001	-row $row -column $col
2002	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2003	if {$col > 10} {set col -1; incr row}
2004	}
2005	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2006	} else {
2007	# add to the current entry
2008	eval lappend curhistlist $histarray($key)
2009	eval lappend curphaslist $phasearray($key)
2010	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2011	}
2012	$ProfileFrame.0.1 config -text $boxtitle
2013	$ProfileFrame.1.edit config -command "\
2014	EditProfile \"\n$boxtitle\" \
2015	[list $curhistlist] \
2016	[list $curphaslist]"
2017	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2018	[list $curhistlist] [list $curphaslist]"
2019	set entrycmd(pdamp_$i) "hapinfo \
2020	[list $curhistlist] \
2021	[list $curphaslist] pdamp"
2022	for { set num 1 } { $num <= $nterms } { incr num } {
2023	set entrycmd(pref${num}_$i) "hapinfo \
2024	[list $curhistlist] \
2025	[list $curphaslist] pref$num"
2026	}
2027	}
2028	}
2029
2030	# resize the scroll window to match the actual
2031	update idletasks
2032	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2033	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2034	update idletasks
2035	ResizeNotebook
2036	# enable traces on entryvar now
2037	set entrycmd(trace) 1
2038	}
2039
2040	# process the bit settings in the print options
2041	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2042	proc printsetting {bitnum "action get" "value {}"} {
2043	global entryvar expgui
2044	if {$action == "get"} {
2045	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2046	} elseif $value {
2047	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2048	} else {
2049	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2050	}
2051	expinfo print set $newval
2052	set expgui(printopt) "Print Options ([expinfo print])"
2053	}
2054
2055	# need to respond to mouse presses -- control variable associated with extract Fobs
2056	# and set the LeBail extraction flags
2057	proc SetupExtractHist {} {
2058	global expgui entrycmd entryvar expmap
2059
2060	# display the selected histograms
2061	$expgui(lsFrame).hs.lbox selection clear 0 end
2062	foreach h $expgui(curhist) {
2063	$expgui(lsFrame).hs.lbox selection set $h
2064	}
2065
2066	# get histogram list
2067	set histlist {}
2068	foreach item $expgui(curhist) {
2069	set hist [lindex $expmap(powderlist) $item]
2070	if {$hist != ""} {lappend histlist $hist}
2071	}
2072	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2073	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2074	foreach phase {1 2 3 4 5 6 7 8 9} {
2075	$expgui(FobsExtractFrame).l$phase config -fg grey
2076	set expgui(Fextract$phase) {}
2077	foreach item $expgui(ExtractSettingsRadiobuttons) {
2078	${item}$phase config -state disabled -bd 1
2079	}
2080	}
2081	} elseif {[llength $histlist] == 1} {
2082	# disable traces on entryvar
2083	set entrycmd(trace) 0
2084	set entryvar(fobsextract) [histinfo $histlist foextract]
2085	foreach phase {1 2 3 4 5 6 7 8 9} {
2086	# is the phase present?
2087	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2088	$expgui(FobsExtractFrame).l$phase config -fg grey
2089	set expgui(Fextract$phase) {}
2090	foreach item $expgui(ExtractSettingsRadiobuttons) {
2091	${item}$phase config -state disabled -bd 1
2092	}
2093	} else {
2094	$expgui(FobsExtractFrame).l$phase config -fg black
2095	foreach item $expgui(ExtractSettingsRadiobuttons) {
2096	${item}$phase config -state normal -bd 2
2097	}
2098	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2099	}
2100	}
2101	} elseif {[llength $histlist] > 1} {
2102	# disable traces on entryvar
2103	set entrycmd(trace) 0
2104	# multiple histograms need phases in any histogram
2105	foreach phase {1 2 3 4 5 6 7 8 9} {
2106	set gotphase($phase) 0
2107	}
2108	foreach hist $histlist {
2109	foreach phase $expmap(phaselist_$hist) {
2110	set gotphase($phase) 1
2111	}
2112	}
2113	foreach phase {1 2 3 4 5 6 7 8 9} {
2114	set expgui(Fextract$phase) {}
2115	if $gotphase($phase) {
2116	$expgui(FobsExtractFrame).l$phase config -fg black
2117	foreach item $expgui(ExtractSettingsRadiobuttons) {
2118	${item}$phase config -state normal -bd 2
2119	}
2120	} else {
2121	$expgui(FobsExtractFrame).l$phase config -fg grey
2122	foreach item $expgui(ExtractSettingsRadiobuttons) {
2123	${item}$phase config -state disabled -bd 1
2124	}
2125	}
2126	}
2127	}
2128	# reenable traces
2129	set entrycmd(trace) 1
2130	}
2131	# respond to a change in the fobs extraction method for a phase
2132	# force the main extraction flag on, if fobs extraction is selected for any phase
2133	proc HistExtractSet {phase} {
2134	global expgui entryvar expmap
2135	foreach item $expgui(curhist) {
2136	lappend histlist [lindex $expmap(powderlist) $item]
2137	}
2138	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2139	incr expgui(changed)
2140	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2141	}
2142	#---------------------------- Global Edit Functions ------------------------
2143	proc editbackground {} {
2144	global expgui expmap entrycmd
2145	set histlist {}
2146	foreach n $expgui(curhist) {
2147	lappend histlist [lindex $expmap(powderlist) $n]
2148	}
2149	if {[llength $histlist] == 0} return
2150
2151	set w .back
2152	catch {destroy $w}
2153	toplevel $w -bg beige
2154	if {$expgui(globalmode) != 0} {
2155	wm title $w "Global Edit Background"
2156	} else {
2157	wm title $w "Edit Background"
2158	}
2159
2160	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2161	] -side top -expand yes -fill both
2162	if {[llength $histlist] > 1} {
2163	grid [label $w.0.a \
2164	-text "Setting background terms for histograms [CompressList $histlist]" \
2165	-bg beige] -row 0 -column 0 -columnspan 10
2166	} else {
2167	grid [label $w.0.a \
2168	-text "Setting background terms for histogram $histlist" \
2169	-bg beige] -row 0 -column 0 -columnspan 10
2170	}
2171	set hist [lindex $histlist 0]
2172	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2173
2174	# disable traces on expgui(backtype) & expgui(backterms) now
2175	set entrycmd(trace) 0
2176
2177	# number of terms
2178	set expgui(backtype) [histinfo $hist backtype]
2179	set expgui(orig_backtype) $expgui(backtype)
2180	set expgui(prev_backtype) $expgui(backtype)
2181	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2182	$typemenu delete 0 end
2183	foreach item {
2184	"1 - Shifted Chebyshev"
2185	"2 - Cosine Fourier series"
2186	"3 - Radial distribution peaks"
2187	"4 - Power series in Q**2n/n!"
2188	"5 - Power series in n!/Q**2n"
2189	"6 - Power series in Q2n/n! and n!/Q2n"
2190	"7 - Linear interpolation function"
2191	"8 - Reciprocal interpolation function"
2192	} {
2193	set val [lindex $item 0]
2194	$typemenu insert end radiobutton -variable expgui(backtype) \
2195	-label $item -value $val
2196	}
2197
2198	grid $w.0.type -row 1 -column 1
2199	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2200
2201	# function type
2202	set expgui(backterms) [histinfo $hist backterms]
2203	set expgui(orig_backterms) $expgui(backterms)
2204	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2205	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2206	grid $w.0.terms -row 1 -column 3
2207	# enable traces on expgui(backtype) & expgui(backterms) now
2208	set entrycmd(trace) 1
2209
2210	#set background terms
2211	for {set num 1 } { $num <= 36 } { incr num } {
2212	set var "bterm$num"
2213	set expgui($var) {}
2214	set expgui(orig_$var) {}
2215	}
2216	if {[llength $histlist] == 1} {
2217	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2218	set var "bterm$num"
2219	set expgui($var) [histinfo $histlist $var]
2220	set expgui(orig_$var) $expgui($var)
2221	}
2222	}
2223
2224	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2225	-expand yes -fill both
2226	ShowBackTerms $w.1
2227
2228	set expgui(temp) {}
2229	pack [frame $w.b] -side top
2230	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2231	pack [button $w.b.3 -text Quit \
2232	-command "QuitEditBackground $w"] -side left
2233	bind $w <Return> "destroy $w"
2234
2235	# force the window to stay on top
2236	putontop $w
2237
2238	focus $w.b.2
2239	tkwait window $w
2240	afterputontop
2241
2242	if {$expgui(temp) != ""} return
2243
2244	if {$expgui(orig_backtype) != $expgui(backtype)} {
2245	histinfo $histlist backtype set $expgui(backtype)
2246	incr expgui(changed)
2247	}
2248	if {$expgui(orig_backterms) != $expgui(backterms)} {
2249	histinfo $histlist backterms set $expgui(backterms)
2250	incr expgui(changed)
2251	}
2252	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2253	set var "bterm$num"
2254	if {$expgui(orig_$var) != $expgui($var)} {
2255	histinfo $histlist $var set $expgui($var)
2256	incr expgui(changed)
2257	}
2258	}
2259
2260	if {$expgui(globalmode) == 0} {
2261	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2262	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2263	}
2264	}
2265
2266	trace variable expgui(backterms) w ChangeBackTerms
2267	proc ChangeBackTerms {a b c} {
2268	global entrycmd expgui
2269	if !$entrycmd(trace) return
2270	ShowBackTerms .back.1
2271	}
2272
2273	trace variable expgui(backtype) w ChangeBackType
2274	# reset the terms to 1, 0, 0... when the number of terms increase
2275	proc ChangeBackType {a b c} {
2276	global entrycmd expgui
2277	if !$entrycmd(trace) return
2278	if {$expgui(prev_backtype) == $expgui(backtype)} return
2279	set expgui(prev_backtype) $expgui(backtype)
2280	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2281	set var "bterm$num"
2282	if {$num == 1} {
2283	set expgui($var) 1.0
2284	} else {
2285	set expgui($var) 0.0
2286	}
2287	}
2288	}
2289
2290	proc ShowBackTerms {w } {
2291	global expgui expmap
2292	# destroy the contents of the frame
2293	eval destroy [winfo children $w]
2294	set histlist {}
2295	foreach n $expgui(curhist) {
2296	lappend histlist [lindex $expmap(powderlist) $n]
2297	}
2298	set widgetsPerRow 4
2299	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2300	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2301	set var "bterm$num"
2302	grid [label $w.l$num -text $num -bg beige] \
2303	-row $rows -column $cols -sticky nes
2304	incr cols
2305	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2306	] -row $rows -column $cols -sticky news
2307	incr cols
2308	}
2309	}
2310	}
2311
2312	proc QuitEditBackground {w} {
2313	global expgui
2314	# lets find out if anything changed
2315	set changed 0
2316	if {$expgui(orig_backtype) != $expgui(backtype)} {
2317	set changed 1
2318	}
2319	if {$expgui(orig_backterms) != $expgui(backterms)} {
2320	set changed 1
2321	}
2322	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2323	set var "bterm$num"
2324	if {$expgui(orig_$var) != $expgui($var)} {
2325	set changed 1
2326	break
2327	}
2328	}
2329	if $changed {
2330	set decision [tk_dialog .changes "Abandon Changes" \
2331	"You have made changes to the background. Ok to abandon changes?" \
2332	warning 0 Abandon Keep]
2333	if !$decision {
2334	set expgui(temp) "Quit"
2335	destroy $w
2336	}
2337	} else {
2338	set expgui(temp) "Quit"
2339	destroy $w
2340	}
2341	}
2342
2343	# this probably needs work
2344	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2345	global expgui expmap
2346	set w .global
2347	catch {destroy $w}
2348	toplevel $w -bg beige
2349	wm title $w "Edit Global Parameter"
2350	set expgui(temp) {}
2351	if {[llength $histlist] == 0} {
2352	set hist {}
2353	foreach n $expgui(curhist) {
2354	lappend hist [lindex $expmap(powderlist) $n]
2355	}
2356	} else {
2357	set hist $histlist
2358	}
2359	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2360	-side top -expand yes -fill both
2361	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2362	-bg beige] \
2363	-row 0 -column 0 -columnspan 10
2364	grid [entry $w.0.b -textvariable expgui(temp)] \
2365	-row 1 -column 0
2366
2367
2368	pack [frame $w.b] -side top
2369	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2370	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2371	bind $w <Return> "destroy $w"
2372
2373	# force the window to stay on top
2374	putontop $w
2375	focus $w.b.2
2376	tkwait window $w
2377	afterputontop
2378
2379	if {$expgui(temp) != ""} {
2380	foreach h $hist {
2381	if {$cmd == "histinfo"} {
2382	histinfo $h $variable set $expgui(temp)
2383	incr expgui(changed)
2384	if $expgui(debug) {
2385	puts "histinfo $h $variable set $expgui(temp)"
2386	}
2387	} elseif {$cmd == "hapinfo"} {
2388	hapinfo $h $phase $variable set $expgui(temp)
2389	incr expgui(changed)
2390	if $expgui(debug) {
2391	puts "hapinfo $phase $h $variable set $expgui(temp)"
2392	}
2393	} else {
2394	error "$cmd unimplemented"
2395	}
2396	}
2397	}
2398	}
2399
2400	proc EditProfile {title histlist phaselist} {
2401	global expgui expmap entrycmd
2402	set w .back
2403	catch {destroy $w}
2404	toplevel $w -bg beige
2405	wm title $w "Global Edit Profile"
2406	set hist [lindex $histlist 0]
2407	set phase [lindex $phaselist 0]
2408	set ptype [string trim [hapinfo $hist $phase proftype]]
2409	set htype [string range $expmap(htype_$hist) 2 2]
2410	set nterms [hapinfo $hist $phase profterms]
2411
2412	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2413	] -side top -expand yes -fill both
2414	grid [label $w.0.a \
2415	-text "Setting profile terms: $title" \
2416	-bg beige] -row 0 -column 0 -columnspan 10
2417	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2418	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2419	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2420	set entrylist {}
2421	lappend entrylist "pcut $w.0.d"
2422
2423	set col -1
2424	set row 1
2425	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2426	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2427	] -side top -expand yes -fill both
2428	for { set num 1 } { $num <= $nterms } { incr num } {
2429	set term {}
2430	catch {set term [lindex $lbls $num]}
2431	if {$term == ""} {set term $num}
2432	incr col
2433	grid [label $w.1.l${num} -text "$term" -bg beige] \
2434	-row $row -column $col
2435	incr col
2436	grid [entry $w.1.ent${num} \
2437	-width 14] -row $row -column $col
2438	lappend entrylist "pterm$num $w.1.ent${num}"
2439	if {$col > 6} {set col -1; incr row}
2440	}
2441	pack [frame $w.b] -side top
2442	pack [button $w.b.2 -text Set \
2443	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2444	[list $histlist] $w"] -side left
2445	pack [button $w.b.3 -text Quit \
2446	-command "QuitEditProfile $w [list $entrylist]"] -side left
2447	bind $w <Return> "destroy $w"
2448
2449	# force the window to stay on top
2450	putontop $w
2451	focus $w.b.2
2452	tkwait window $w
2453	afterputontop
2454	}
2455
2456	proc SetEditProfile {entrylist phaselist histlist w} {
2457	global expgui
2458	foreach item $entrylist {
2459	set value [ [lindex $item 1] get ]
2460	if {$value != ""} {
2461	hapinfo $histlist $phaselist [lindex $item 0] set $value
2462	incr expgui(changed)
2463	if $expgui(debug) {
2464	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2465	}
2466	}
2467	}
2468	destroy $w
2469	}
2470
2471	proc QuitEditProfile {w entrylist} {
2472	global expgui
2473	# lets find out if anything changed
2474	set changed 0
2475	foreach item $entrylist {
2476	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2477	}
2478	if $changed {
2479	set decision [tk_dialog .changes "Abandon Changes" \
2480	"You have made changes to the Profile. Ok to abandon changes?" \
2481	warning 0 Abandon Keep]
2482	if !$decision {destroy $w}
2483	} else {
2484	destroy $w
2485	}
2486	}
2487
2488	##############################################################################
2489	## #############################################
2490	## END OF THE PROCEDURES SECTION #############################################
2491	## #############################################
2492	##############################################################################
2493
2494	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2495	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2496	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2497	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2498	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2499	# A frame for menu items at top of display
2500	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2501	# Pack the menu frame.
2502	pack $expgui(fm) -fill x -side top -anchor n
2503
2504	# create a button bar
2505	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2506
2507	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2508	# & LS controls
2509	# 0 name,
2510	# 1 title
2511	# 2 create command
2512	# 3 raise command
2513	# 4 disable page in global mode (0/1)
2514
2515	if $expgui(haveBW) {
2516	pack [NoteBook .n -bd 2] -expand yes -fill both
2517	# create an array element describing each notebook page
2518	# element 0 -- pane name
2519	# 1 -- Label on frame
2520	# 2 -- initialization command
2521	# 3 -- update command
2522	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2523	# are selected in global mode, 0 otherwise
2524	set expgui(notebookpagelist) {
2525	{lsFrame "LS Controls" \
2526	"" \
2527	SetupExtractHist \
2528	0}
2529	{phaseFrame Phase \
2530	"" \
2531	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2532	0}
2533	{histFrame Histogram \
2534	MakeHistPane \
2535	DisplayHistogram \
2536	1}
2537	{fracFrame Scaling \
2538	MakeScalingPane \
2539	DisplayFrac \
2540	0}
2541	{profFrame Profile \
2542	MakeProfilePane \
2543	DisplayProfile \
2544	1}
2545	{consFrame Constraints \
2546	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2547	DisplayConstraintsPane \
2548	0}
2549	{orientFrame "MD Pref Orient" \
2550	MakeOrientPane \
2551	DisplayOrient \
2552	0}
2553	{odfFrame "SH Pref Orient" \
2554	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2555	DisplayODFPane \
2556	0}
2557	}
2558	foreach item $expgui(notebookpagelist) {
2559	set frm [lindex $item 0]
2560	set expgui($frm) [\
2561	.n insert end $frm -text [lindex $item 1] \
2562	-createcmd [lindex $item 2] \
2563	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2564
2565	# at this time expgui(frameactionlist) is generated
2566	# from expgui(notebookpagelist), but in the future it might
2567	# make sense to use expgui(notebookpagelist) directly
2568	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2569
2570	# panes to disable in global "all" mode
2571	if {[lindex $item 4]} {
2572	lappend expgui(GlobalModeAllDisable) \
2573	"$frm \{.n itemconfigure $frm\}"
2574	}
2575	}
2576	} else {
2577	Notebook:create .n \
2578	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2579	pack .n -anchor w -fill both -expand yes
2580	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2581	orientFrame} \
2582	page {"LS Controls" Phase Histogram Scaling Profile \
2583	"MD Pref Orient"} {
2584	set expgui($item) [Notebook:frame .n $item]
2585	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2586	}
2587	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2588	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2589	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2590	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2591	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2592	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2593	set expgui(GlobalModeAllDisable) {}
2594	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2595	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2596	}
2597
2598	# this is used to bring up the selected frame
2599	proc RaisePage {nextpage} {
2600	global expgui
2601	if $expgui(haveBW) {
2602	.n see $nextpage
2603	.n raise $nextpage
2604	set expgui(pagenow) $nextpage
2605	} else {
2606	Notebook:raise .n $nextpage
2607	InitPage $nextpage
2608	}
2609	}
2610	# this is only called when BWidget is not in use
2611	proc InitPage {nextpage} {
2612	global expgui
2613	set expgui(pagenow) $nextpage
2614	UpdateCurrentPage
2615	}
2616	# resize the notebook to fit all the tabs and the largest page
2617	proc ResizeNotebook {} {
2618	global expgui
2619	if {$expgui(haveBW)} {
2620	.n compute_size
2621	} else {
2622	Notebook:resize .n
2623	}
2624	}
2625
2626	#----------------------------------------------------------------------------
2627	proc MakePhasePane {} {
2628	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2629	global expgui
2630	frame $expgui(phaseFrame).top
2631	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2632	# This is a big frame in the Phase notebook pane to hold atomic data.
2633	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2634	-relief raised -borderwidth 4 -bg beige]
2635	# This is a frame just below the big frame: for edits
2636	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2637	-relief raised -borderwidth 4 -bg beige]
2638
2639	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2640	grid $frameLatt -sticky news -row 2 -column 0
2641	grid $fbig -sticky news -row 3 -column 0
2642	# give extra space to the atoms box
2643	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2644	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2645	grid $frame3 -sticky news -row 4 -column 0
2646	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2647	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2648	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2649	# this is where the buttons will go
2650	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2651
2652	grid [label $expgui(phaseFrame).top.lA -text title: \
2653	-fg blue ] -column 1 -row 0 -sticky e
2654	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2655	-fg blue -width 45] -column 2 -row 0 -sticky e
2656	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2657	# ------------- Lattice Parameter Box ------------------
2658	set row 0
2659	foreach col {2 4 6} var {a b c} lbl {a b c} {
2660	grid [label $frameLatt.l$var -text $lbl] \
2661	-column $col -row $row -padx 5 -sticky e
2662	incr col
2663	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2664	-column $col -row $row -padx 5
2665	}
2666	incr row
2667	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2668	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2669	-column $col -row $row -padx 5 -sticky e
2670	incr col
2671	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2672	-column $col -row $row -padx 5
2673	}
2674
2675	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2676	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2677	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2678	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2679	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2680	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2681	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2682	-column 1 -row 0 -rowspan 2
2683	if [file executable $expgui(exptool)] {
2684	grid [button $frameLatt.newp -text Replace\nPhase \
2685	-command MakeReplacePhaseBox] \
2686	-column 0 -row 0 -rowspan 2 -sticky w
2687	}
2688	grid columnconfig $frameLatt 1 -weight 1
2689	grid columnconfig $frameLatt 0 -weight 1
2690	#-------------- Begin Atom Coordinates Box ------------------------------
2691	grid [listbox $fbig.title -height 1 -relief flat \
2692	-exportselection 0 -bg lightgrey -fg black \
2693	-selectforeground black -selectbackground lightgrey] \
2694	-row 0 -column 0 -sticky ew
2695	set expgui(atomtitle) $fbig.title
2696	bind $expgui(atomtitle) <Button-1> {
2697	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2698	incr i
2699	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2700	DisplayAllAtoms
2701	}
2702	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2703
2704	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2705	grid [listbox $fbig.lbox -height 10 \
2706	-exportselection 0 \
2707	-xscrollcommand " $fbig.bscr set"\
2708	-yscrollcommand " $fbig.rscr set"\
2709	] -row 1 -column 0 -sticky news
2710	set expgui(atomlistbox) $fbig.lbox
2711	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2712	grid [scrollbar $fbig.bscr -orient horizontal \
2713	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2714	] -row 2 -column 0 -sticky ew
2715	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2716	] -row 1 -column 1 -sticky ns
2717	# give extra space to the atoms box
2718	grid columnconfigure $fbig 0 -weight 1
2719	grid rowconfigure $fbig 1 -weight 1
2720
2721	# BIND mouse in editbox
2722	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2723	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2724
2725	#-------------- End Atoms Section ---------------------------------
2726
2727	# --------------------------- Begin Edit Box ------------------------
2728	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2729	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2730	if [file executable $expgui(exptool)] {
2731	button $frame3.newa -text "Add New Atoms" \
2732	-command {MakeAddAtomsBox $expgui(curPhase)}
2733	grid $frame3.newa -column 11 -row 0
2734	}
2735	button [set expgui(atomxform) $frame3.xa] \
2736	-command {MakeXformAtomsBox $expgui(curPhase)}
2737	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2738
2739	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2740	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2741
2742	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2743	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2744	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2745	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2746	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2747	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2748
2749	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2750	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2751
2752	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2753	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2754	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2755	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2756	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2757	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2758	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2759	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2760	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2761
2762	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2763	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2764
2765	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2766	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2767
2768	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2769	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2770	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2771	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2772	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2773	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2774	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2775	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2776	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2777	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2778
2779	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2780	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2781	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2782	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2783	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2784	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2785	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2786	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2787
2788	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2789	grid $f3f31 -column 0 -row 7 -columnspan 12
2790	set expgui(anisolabels) {}
2791	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2792	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2793	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2794	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2795	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2796	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2797
2798	set expgui(anisoentry) {}
2799	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2800	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2801	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2802	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2803	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2804	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2805
2806	set col 0
2807	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2808	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2809	incr col
2810	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2811	incr col
2812	}
2813	# --------------------------- End Edit Box -------------------------
2814
2815	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2816	# resize in case the pane needs more space
2817	ResizeNotebook
2818	}
2819
2820	proc move2boxes {boxlist args} {
2821	foreach listbox $boxlist {
2822	eval $listbox xview $args
2823	}
2824	}
2825	#-----------------------------------------------------------------------------
2826	proc MakeHistPane {} {
2827	#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
2828	global expgui
2829
2830	grid columnconfigure $expgui(histFrame) 0 -weight 1
2831	grid rowconfigure $expgui(histFrame) 1 -weight 1
2832	grid rowconfigure $expgui(histFrame) 2 -weight 1
2833	grid rowconfigure $expgui(histFrame) 3 -weight 1
2834
2835	grid [frame $expgui(histFrame).hs] \
2836	-column 0 -row 0 -rowspan 10 -sticky nsew
2837	MakeHistBox $expgui(histFrame).hs
2838	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2839	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2840	DisplayHistogram
2841	}
2842	bind $expgui(histFrame).hs.lbox <Button-3> {
2843	if $expgui(globalmode) {
2844	$expgui(histFrame).hs.lbox selection set 0 end
2845	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2846	DisplayHistogram
2847	}
2848	}
2849
2850	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2851	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2852	if $expgui(haveBW) {
2853	foreach item {backBox diffBox} num {2 3} \
2854	title {Background "Diffractometer Constants"} {
2855	TitleFrame $expgui(histFrame).$item \
2856	-borderwidth 4 -side left -relief groove -text $title
2857	set expgui($item) [$expgui(histFrame).$item getframe]
2858	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2859	grid rowconfigure $expgui(histFrame) $num -minsize 100
2860	}
2861	} else {
2862	foreach item {backBox diffBox} num {1 2} \
2863	title {Background "Diffractometer Constants"} {
2864	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2865	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2866	set expgui($item) $expgui(histFrame).$item
2867	grid [label $expgui(histFrame).$item.title -text $title] \
2868	-row 0 -column 0 -columnspan 10 -sticky nw
2869	}
2870	}
2871	if [file executable $expgui(exptool)] {
2872	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2873	grid $expgui(histFrame).newh -column 1 -row 6
2874	}
2875
2876	# BACKGROUND information.
2877	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2878	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2879	grid [label $expgui(backBox).frm1.lBGType \
2880	-textvariable expgui(backtypelbl)] \
2881	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2882	grid [label $expgui(backBox).frm1.lBGTerms \
2883	-textvariable expgui(backtermlbl)] \
2884	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2885	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2886	-command editbackground] \
2887	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2888	grid [frame $expgui(backBox).frm2 ] \
2889	-row 1 -column 0 -columnspan 11 -sticky e
2890	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2891	-row 2 -column 1 -sticky news -padx 4 -pady 3
2892	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2893	-variable entryvar(bref) ] \
2894	-row 2 -column 2 -sticky news -padx 4 -pady 3
2895	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2896	-row 2 -column 3 -sticky w -padx 2 -pady 3
2897	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2898	grid $expgui(backBox).frm2.om \
2899	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2900	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2901	# insert the histograms & resize in case the pane needs more space
2902	sethistlist
2903	ResizeNotebook
2904	}
2905	###############################################################################
2906	proc MakeScalingPane {} {
2907	#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
2908	global expgui
2909
2910	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2911	MakeHistBox $expgui(fracFrame).hs
2912	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2913	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2914	DisplayFrac
2915	}
2916	bind $expgui(fracFrame).hs.lbox <Button-3> {
2917	if $expgui(globalmode) {
2918	$expgui(fracFrame).hs.lbox selection set 0 end
2919	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2920	DisplayFrac
2921	}
2922	}
2923
2924	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2925	# Create a large canvas area containing a frame for each phase in the data set.
2926	# The canvas and vertical scrollbar are inside a frame called f1
2927	if $expgui(haveBW) {
2928	TitleFrame $expgui(fracFrame).f1.scaleBox \
2929	-borderwidth 4 -text "Scale Factor"
2930	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2931	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2932	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2933	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2934	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2935	} else {
2936	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2937	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2938	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2939	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2940	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2941	}
2942	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2943	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2944	button $expgui(scaleBox).but1 -text "Set Globally" \
2945	-command "editglobalparm histinfo scale {Scale Factor}"
2946
2947	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2948	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2949	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2950	-row 1 -column 3 -sticky news -padx 4 -pady 3
2951	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2952	-row 1 -column 4 -sticky w -padx 2 -pady 3
2953	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2954	grid $expgui(scaleBox).om \
2955	-row 1 -column 5 -sticky news -padx 4 -pady 3
2956	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2957
2958	if $expgui(haveBW) {
2959	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2960	-text "Phase Fractions" -relief groove] \
2961	-sticky news -row 1 -column 0 -columnspan 2
2962	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2963	} else {
2964	set PhaseFractBox $expgui(fracFrame).f1
2965	}
2966	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2967	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2968
2969	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2970	-scrollregion {0 0 5000 500} \
2971	-yscrollcommand "$PhaseFractBox.yscroll set" \
2972	-width 500 -height 350 -bg lightgrey]] \
2973	-sticky news -row 1 -column 0
2974	grid [scrollbar $PhaseFractBox.yscroll \
2975	-command "$expgui(FracBox) yview" \
2976	-orient vertical] \
2977	-sticky ns -row 1 -column 1
2978	frame $expgui(FracBox).f -bd 0
2979	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2980
2981	# the rest of the page is created in DisplayFrac
2982
2983	# insert the histograms & resize in case the pane needs more space
2984	sethistlist
2985	ResizeNotebook
2986	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2987	}
2988	###############################################################################
2989	proc MakeProfilePane {} {
2990	global expgui
2991	# 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
2992	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2993	MakeHistBox $expgui(profFrame).hs
2994	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2995	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2996	DisplayProfile
2997	}
2998	bind $expgui(profFrame).hs.lbox <Button-3> {
2999	if $expgui(globalmode) {
3000	$expgui(profFrame).hs.lbox selection set 0 end
3001	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3002	DisplayProfile
3003	}
3004	}
3005
3006	# Create a large canvas area containing a frame for each phase in the data set.
3007	# The canvas and vertical scrollbar are inside a frame called f1
3008	pack [frame $expgui(profFrame).f1] -fill both -expand true
3009	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3010	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3011	-sticky news -row 0 -column 0
3012	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3013	-sticky ns -row 0 -column 1
3014
3015	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3016	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3017
3018	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3019	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3020	frame $expgui(ProfileBox).f -bd 0
3021	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3022
3023	# insert the histograms & resize in case the pane needs more space
3024	sethistlist
3025	ResizeNotebook
3026	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3027	}
3028
3029	##############################################################################
3030	# 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
3031	array set printopts {
3032	0 "Print the reciprocal metric tensor changes"
3033	1 "Print the correlation matrix"
3034	2 "Print the Least-Squares matrices and vectors"
3035	4 "Print the linear constraint matrices"
3036	5 "Print the applied shifts and shift factors"
3037	6 "Print the reciprocal metric tensor Var-Covar terms"
3038	7 "Print all parameters for each cycle"
3039	8 "Print summary shift/esd data after last cycle"
3040	9 "Print zero/unit pole figure constraint terms"
3041	}
3042	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3043	MakeHistBox $expgui(lsFrame).hs
3044	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3045	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3046	SetupExtractHist
3047	}
3048	bind $expgui(lsFrame).hs.lbox <Button-3> {
3049	if $expgui(globalmode) {
3050	$expgui(lsFrame).hs.lbox selection set 0 end
3051	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3052	SetupExtractHist
3053	}
3054	}
3055
3056	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3057	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3058	set row 0
3059	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3060	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3061	-textvariable expgui(last_History)] \
3062	-row $row -column 1 -columnspan 5 -sticky w
3063	incr row
3064	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3065	grid [entry $expgui(lsFrame).f1.tit2 \
3066	-textvariable entryvar(title) -width 48] \
3067	-row $row -column 1 -columnspan 5 -sticky w
3068	set entrycmd(title) "expinfo title"
3069
3070	incr row
3071	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3072	-row $row -column 0 -columnspan 2 -pady 3
3073	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3074	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3075	-textvariable entryvar(cycles)] -row 0 -column 1
3076	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3077	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3078	] -row $row -column 2
3079	menu $expgui(lsFrame).f1.lprint.menu
3080	foreach num [lsort [array names printopts]] {
3081	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3082	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3083	-variable entryvar(printopt$num)
3084	}
3085	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3086	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3087	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3088	incr row
3089	if {$expgui(haveBW)} {
3090	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3091	-text "Reflection Intensity Extraction" \
3092	] -row $row -column 0 -columnspan 6
3093	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3094	} else {
3095	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3096	] -row $row -column 0 -columnspan 6
3097	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3098	}
3099	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3100	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3101	-row 0 -column 8 -columnspan 3 -sticky e
3102	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3103	-row 0 -column 2
3104	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3105	-variable entryvar(fobsextract)] -row 0 -column 3
3106	foreach num {1 2 3 4 5 6 7 8 9} {
3107	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3108	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3109	-command "HistExtractSet $num" \
3110	-variable expgui(Fextract$num) -value 0] \
3111	-row 2 -column $num
3112	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3113	-command "HistExtractSet $num" \
3114	-variable expgui(Fextract$num) -value 1] \
3115	-row 3 -column $num
3116	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3117	-command "HistExtractSet $num" \
3118	-variable expgui(Fextract$num) -value 2] \
3119	-row 4 -column $num
3120	}
3121	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3122	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3123	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3124
3125	grid [label $expgui(FobsExtractFrame).t \
3126	-text "Extraction\nMethod" -anchor c] \
3127	-column 0 -row 0 -rowspan 2 -sticky s
3128	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3129	-column 1 -row 0 -columnspan 7 -sticky sw
3130	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3131	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3132	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3133	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3134	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3135	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3136	#-------------------------------------------------------------------------
3137	#-------------------------------------------------------------------------
3138	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3139
3140	#---- file menu button
3141	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3142	menu $expgui(fm).file.menu
3143	if $expgui(debug) {
3144	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3145	}
3146	if {$tcl_platform(platform) != "macintosh"} {
3147	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3148	}
3149	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3150	-command savearchiveexp
3151	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3152	$expgui(fm).file.menu add command -label "Save As" \
3153	-command "SaveAsFile"
3154	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3155	-command {rereadexp $expgui(expfile)}
3156
3157	#---- help menu button
3158	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3159	menu $expgui(fm).help.menu
3160	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3161	-label "Help on Command"
3162	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3163	$expgui(fm).help.menu add command -label "About..." -command About
3164
3165	#---- options menu button
3166	menubutton $expgui(fm).option -text Options \
3167	-menu $expgui(fm).option.menu
3168	menu $expgui(fm).option.menu
3169
3170	if {$tcl_platform(platform) != "macintosh"} {
3171	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3172	-variable expgui(archive)
3173	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3174	-variable expgui(disaglSeparateBox)
3175	}
3176	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3177	-label "Sort atoms by"
3178
3179	set expgui(asorttype) number
3180	menu $expgui(fm).option.menu.asort
3181	foreach opt {number type mult x y z occupancy} {
3182	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3183	-label $opt -value $opt -variable expgui(asorttype)
3184	}
3185
3186	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3187	-label "Sort histograms by"
3188
3189	set expgui(hsorttype) number
3190	menu $expgui(fm).option.menu.hsort
3191	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3192	-label number -value number -variable expgui(hsorttype)
3193	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3194	-label "Histogram type" -value type -variable expgui(hsorttype)
3195	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3196	-label "Bank #" -value bank -variable expgui(hsorttype)
3197	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3198	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3199
3200	#---- Global mode menu button
3201	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3202	-label "Multiple hist. selection"
3203	menu $expgui(fm).option.menu.editmode
3204	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3205	-variable expgui(globalmode) -value 0 \
3206	-command sethistlist
3207	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3208	-variable expgui(globalmode) -value 6 \
3209	-command sethistlist
3210	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3211	-variable expgui(globalmode) -value 1 \
3212	-command sethistlist
3213	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3214	-variable expgui(globalmode) -value 2 \
3215	-command sethistlist
3216	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3217	-variable expgui(globalmode) -value 3 \
3218	-command sethistlist
3219	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3220	-variable expgui(globalmode) -value 4 \
3221	-command sethistlist
3222	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3223	-variable expgui(globalmode) -value 5 \
3224	-command sethistlist
3225	$expgui(fm).option.menu.editmode add separator
3226	$expgui(fm).option.menu.editmode add checkbutton \
3227	-label "Group phases together" \
3228	-variable expgui(globalphasemode) \
3229	-command sethistlist
3230
3231	set expgui(globalmode) 0
3232	set expgui(globalphasemode) 1
3233
3234	if {$tcl_platform(platform) == "unix"} {
3235	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3236	-variable env(GSASBACKSPACE)
3237	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3238	-variable expgui(autoexpload)
3239	}
3240
3241	$expgui(fm).option.menu add command -label "Save Options" \
3242	-command "SaveOptions"
3243
3244	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3245
3246	if {$tcl_platform(platform) != "macintosh"} {
3247	foreach menu $expgui(menunames) {
3248	set m [string tolower $menu]
3249	pack [menubutton $expgui(fm).$m -text $menu \
3250	-menu $expgui(fm).$m.menu] -side left
3251	menu $expgui(fm).$m.menu
3252	}
3253	}
3254	pack $expgui(fm).help -side right -in $expgui(fm)
3255
3256	if {$tcl_platform(platform) != "macintosh"} {
3257	# add the commands in expgui_menulist
3258	foreach menu [array names expgui_menulist ] {
3259	foreach cmd $expgui_menulist($menu) {
3260	set action {}
3261	set opt {}
3262	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3263	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3264	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3265	if {$action != "" && $action != "-"} {
3266	eval $expgui(fm).$menu.menu add command \
3267	-label $cmd $opt -command [list [subst $action]]
3268	if {[lindex $opt 0] == "-underline"} {
3269	catch {
3270	set num [lindex $opt 1]
3271	set key [string range $cmd $num $num]
3272	bind . <Alt-[string tolower $key]> [subst $action]
3273	bind . <Alt-[string toupper $key]> [subst $action]
3274	}
3275	}
3276	}
3277	}
3278	}
3279	}
3280	# setup command help
3281	foreach cmd [array names expgui_cmdlist] {
3282	set help {}
3283	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3284	if {$help == ""} {
3285	if {$expgui(debug)} {puts "no help for $cmd"}
3286	} else {
3287	# remove
3288	regsub -all \x09 $help " " help
3289	# preserve blank lines
3290	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3291	regsub -all \x0A $help " " help
3292	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3293	regsub -all " +" $help " " help
3294	set expgui_helplist($cmd) [string trim $help]
3295	}
3296	}
3297	if {$tcl_platform(platform) != "macintosh"} {
3298	# set up button bar
3299	foreach cmd $expgui(buttonlist) {
3300	set action {}
3301	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3302	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3303	if {$action != ""} {
3304	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3305	-text $cmd -command [list [subst $action]]] -side left
3306	}
3307	}
3308	}
3309
3310	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3311	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3312	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3313
3314	# make the phase pane
3315	MakePhasePane
3316	# and the rest of the windows w/o BWidget
3317	if !$expgui(haveBW) {
3318	MakeHistPane
3319	MakeScalingPane
3320	MakeProfilePane
3321	}
3322
3323	# handle indirect exits
3324	wm protocol . WM_DELETE_WINDOW catchQuit
3325	bind . <Control-c> catchQuit
3326
3327	set expgui(curPhase) ""
3328	set expgui(pagenow) ""
3329	set expgui(curhist) {}
3330	set expgui(selectedatomlist) {}
3331
3332	loadexp $expgui(expfile)
3333
3334	# select the 1st phase
3335	SelectOnePhase [lindex $expmap(phaselist) 0]
3336	# select the first histogram in the list by default (if there are any)
3337	if {[llength $expmap(histlistboxcontents)] > 0} {
3338	set expgui(curhist) 0
3339	} else {
3340	set expgui(curhist) {}
3341	}
3342
3343	# execute any local commands for final initialization
3344	eval $expgui(initstring)
3345
3346	# resize the notebook to fit all the tabs and the largest page
3347	ResizeNotebook
3348
3349	RaisePage lsFrame
3350	if {[CountHistory] > 100} {
3351	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3352	}

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