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source: trunk/expgui @ 323

Last change on this file since 323 was 323, checked in by toby, 13 years ago
# on 2000/10/12 21:40:40, toby did: implement optional EXPTOOL output Change action for unsaved changes in whenidle to Save As Add help pointers Exchange locations of Replace Phase & Add Phase buttons so that "Add Phass" is always displayed new WWW help commands
Property rcs:author set to `toby` Property rcs:date set to `2000/10/12 21:40:40` Property rcs:lines set to `+97 -68` Property rcs:rev set to `1.37` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 118.9 KB

Line
1	#!/usr/local/bin/wish
2	# $Id: expgui 323 2009-12-04 23:04:08Z toby $
3	set expgui(Revision) {$Revision: 323 $ $Date: 2009-12-04 23:04:08 +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	# the shell variable tells expgui to act as a shell for GSAS
38	# as well as edit the EXP file. In no-shell mode, it can
39	# only be used to edit the .EXP file as a callable program
40	set expgui(shell) 1
41	catch {if $env(EXPGUI_NOSHELL) {set expgui(shell) 0}}
42
43	if {$argv != ""} {
44	if {[string match noshell [string tolower $argv]]} {
45	puts noshell
46	set expgui(shell) 0
47	set expgui(expfile) [lindex $argv 1]
48	} else {
49	set expgui(expfile) [lindex $argv 0]
50	}
51	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
52	append expgui(expfile) ".EXP"
53	}
54	} else {
55	set expgui(expfile) {}
56	}
57
58	set expgui(curhist) {}
59	set expmap(powderlist) {}
60	set expgui(bkgcolor1) #fdf
61
62	set expgui(debug) 0
63	catch {if $env(DEBUG) {set expgui(debug) 1}}
64	#set expgui(debug) 1
65
66	# default for archive mode = on
67	set expgui(archive) 1
68	# default for autoexec load = off
69	set expgui(autoexpload) 0
70	# default for show EXPTOOL output = off
71	set expgui(showexptool) 0
72	# save the name of the wish executable
73	set wishshell [info nameofexecutable]
74	# misc constants
75	set txtvw(font) "Courier"
76	set expgui(coordfont) "--courier-bold-r-normal--12-"
77	set expgui(histfont) "--courier-bold-r-normal--12-"
78	set liveplot(hst) 1
79	set liveplot(legend) 1
80	set expgui(filesort) 1
81	set expgui(initstring) {}
82	# use a separate window for DISAGL (default)
83	set expgui(disaglSeparateBox) 1
84	set expgui(DefaultPeakType) 0
85	# default: keep current atoms when replacing a phase
86	set expgui(DeleteAllAtoms) 0
87	#=============================================================================
88	#----------------------------------------------------------------
89	# where are we?
90	set expgui(script) [info script]
91	# translate links -- go six levels deep
92	foreach i {1 2 3 4 5 6} {
93	if {[file type $expgui(script)] == "link"} {
94	set link [file readlink $expgui(script)]
95	if { [file pathtype $link] == "absolute" } {
96	set expgui(script) $link
97	} {
98	set expgui(script) [file dirname $expgui(script)]/$link
99	}
100	} else {
101	break
102	}
103	}
104	# fixup relative paths
105	if {[file pathtype $expgui(script)] == "relative"} {
106	set expgui(script) [file join [pwd] $expgui(script)]
107	}
108	set expgui(scriptdir) [file dirname $expgui(script) ]
109	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
110	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
111	set expgui(docdir) [file join $expgui(scriptdir) doc]
112	#----------------------------------------------------------------
113	lappend auto_path $expgui(scriptdir)
114	set expgui(havetix) 0
115	set expgui(haveBW) 1
116	# for debugging non-BWidget version set environment variable NOBWIDGET
117	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
118	if $expgui(haveBW) {
119	if [catch {package require BWidget}] {set expgui(haveBW) 0}
120	}
121	# get the notebook widget if not using BWidgets
122	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
123	#----------------------------------------------------------------
124	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
125	source [file join $expgui(scriptdir) opts.tcl]
126	}
127	# fetch EXP file processing routines
128	source [file join $expgui(scriptdir) readexp.tcl]
129	# commands for running GSAS programs
130	source [file join $expgui(scriptdir) gsascmds.tcl]
131	# contents of GSAS menus
132	source [file join $expgui(scriptdir) gsasmenu.tcl]
133	# commands for adding phases, histograms & atoms
134	source [file join $expgui(scriptdir) addcmds.tcl]
135	# commands for preferred orientation
136	source [file join $expgui(scriptdir) orient.tcl]
137	#---------------------------------------------------------------------------
138	# override options with locally defined values
139	if [file exists [file join $expgui(scriptdir) localconfig]] {
140	source [file join $expgui(scriptdir) localconfig]
141	}
142	if [file exists [file join ~ .gsas_config]] {
143	source [file join ~ .gsas_config]
144	}
145	if {$tcl_platform(platform) == "windows"} {
146	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
147	} else {
148	set expgui(exptool) [file join $expgui(gsasexe) exptool]
149	}
150	#---------------------------------------------------------------------------
151	if {$expgui(expfile) != ""} {
152	if ![file exists $expgui(expfile)] {
153	update
154	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
155	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
156	error 0 "Create" "Open other"]
157	if $ans {set expgui(expfile) {}}
158	}
159	}
160	if {$expgui(expfile) == ""} {
161	# center the parent window because the getExpFileName window
162	# will be centered above it.
163	wm withdraw .
164	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
165	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
166	wm geom . +$x+$y
167	wm deiconify .
168	# windows needed this update before when using tk_getOpenFile.
169	# I am not sure it is still needed.
170	update
171	#
172	set expgui(expfile) [getExpFileName old]
173	}
174	if {$expgui(expfile) == ""} exit
175	# you've been warned this .EXP does not exist!
176	if ![file exists $expgui(expfile)] {
177	# create an "empty" exp file
178	createexp $expgui(expfile) \
179	[getstring "title for experiment $expgui(expfile)" 60 0]
180	}
181	catch {cd [string trim [file dirname $expgui(expfile)]]}
182
183	#
184	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
185	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
186	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
187	# load exp file and set up dialogs
188	proc loadexp {expfile} {
189	global expgui expmap entryvar entrycmd tcl_platform
190	set exploadtime [time {set fmt [expload $expfile]}]
191	if $expgui(debug) {puts "expload $exploadtime"}
192	# if the file was not in the correct format, force a rewrite before use
193	if {$fmt < 0} {
194	# read error
195	return
196	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
197	set expgui(changed) 1
198	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
199	set expgui(changed) 1
200	} else {
201	set expgui(changed) 0
202	}
203
204	# force exp files to be upper case, force save if name changes
205	set filetail [file tail $expfile]
206	set filetailcaps [string toupper $filetail]
207	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
208	set expgui(changed) 1
209	}
210	if {[file dirname $expfile] == "."} {
211	set expgui(expfile) $filetailcaps
212	} else {
213	set expgui(expfile) [file join \
214	[file dirname $expfile] $filetailcaps]
215	}
216
217	mapexp
218	set expgui(expModifiedLast) 0
219	catch {
220	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
221	}
222	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
223	# set the window/icon title
224	wm title . "EXPGUI $expfile"
225	set expgui(titleunchanged) 1
226	wm iconname . [file tail $expfile]
227
228	# set the number of phases on the phase page
229	setphases
230
231	# disable the "global options" that don't make sense based on
232	# which histograms present
233	foreach num {1 2 3 4 5} {
234	set flag($num) 0
235	}
236	# save a list of the allowed modes, too
237	set expgui(AllowedHistSelectModes) {0 6}
238	foreach h $expmap(powderlist) {
239	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
240	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
241	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
242	[histinfo $h lam2] != 0.0} {set flag(3) 1}
243	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
244	[histinfo $h lam2] == 0.0} {set flag(4) 1}
245	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
246	}
247	foreach num {1 2 3 4 5} \
248	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
249	"Energy Disp Xray"} {
250	if $flag($num) {
251	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
252	lappend expgui(AllowedHistSelectModes) $num
253	} else {
254	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
255	}
256	}
257	# disable traces on entryvar until we are ready
258	set entrycmd(trace) 0
259	trace vdelete entryvar w entvartrace
260
261	# propogate changes on the least squares page
262	set entryvar(cycles) [expinfo cycles]
263	set entrycmd(cycles) "expinfo cycles"
264	# set expgui(globalmode) 0
265	set expgui(printopt) "Print Options ([expinfo print])"
266	set entryvar(title) [expinfo title]
267	global printopts
268	foreach num [array names printopts] {
269	set entrycmd(printopt$num) "printsetting $num"
270	set entryvar(printopt$num) [printsetting $num]
271	}
272	# enable traces on entryvar
273	set entrycmd(trace) 1
274	trace variable entryvar w entvartrace
275
276	# set fo extraction on LS page
277	SetupExtractHist
278
279	# update the histogram list & update the page
280	sethistlist
281
282	# start checking for external changes
283	afterawhile
284	}
285
286	# called to reread the .EXP file
287	proc rereadexp {expfile} {
288	global expgui
289	if $expgui(changed) {
290	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
291	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
292	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
293	switch $decision {
294	0 { savearchiveexp }
295	1 { }
296	2 { return }
297	}
298	}
299	loadexp $expgui(expfile)
300	}
301
302	proc SaveAsFile {} {
303	global expgui
304	set newexpfile [getExpFileName new]
305	if {$newexpfile == ""} return
306	expwrite $newexpfile
307	set expgui(expfile) $newexpfile
308	catch {cd [string trim [file dirname $expgui(expfile)]]}
309	set expgui(changed) 0
310	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
311	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
312	# set the window/icon title
313	wm title . $expgui(expfile)
314	set expgui(titleunchanged) 1
315	wm iconname . [file tail $expgui(expfile)]
316	}
317
318	# called to read a different .EXP file
319	proc readnewexp {} {
320	global expgui expmap
321	if $expgui(changed) {
322	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
323	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
324	{} 0 "Save and read" "Read without Save" "Cancel read command"]
325	switch $decision {
326	0 { savearchiveexp }
327	1 { }
328	2 { return }
329	}
330	}
331	set newexpfile [getExpFileName old]
332	if {$newexpfile == ""} return
333
334	# switch to the 1st page
335	RaisePage lsFrame
336
337	if ![file exists $newexpfile] {
338	# you've been warned this .EXP does not exist!
339	# create an "empty" exp file
340	createexp $newexpfile \
341	[getstring "title for experiment $newexpfile" 60 0]
342	}
343	set expgui(expfile) $newexpfile
344	catch {cd [string trim [file dirname $expgui(expfile)]]}
345	set expgui(globalmode) 0
346	loadexp $expgui(expfile)
347
348	# select the 1st phase
349	SelectOnePhase [lindex $expmap(phaselist) 0]
350	# select the first histogram in the list by default (if there are any)
351	if {[llength $expmap(histlistboxcontents)] > 0} {
352	set expgui(curhist) 0
353	} else {
354	set expgui(curhist) {}
355	}
356	if {[CountHistory] > 100} {
357	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
358	}
359	}
360
361	#------------- set up data read/write layer ----------------------
362	# trace routine on entryvar
363	proc entvartrace {array elem action} {
364	global expgui entrycmd entryvar entrybox
365	if !$entrycmd(trace) return
366
367	catch {
368	if {$entrycmd($elem) == ""} return
369	incr expgui(changed)
370	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
371	if {$entrycmd($elem) == ""} return
372	if [catch {
373	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
374	if {!$result} {
375	if $expgui(debug) {puts "error with $entrycmd($elem)"}
376	catch {$entrybox($elem) config -fg red}
377	} else {
378	catch {$entrybox($elem) config -fg black}
379	}
380	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
381	after idle {DisplayAllAtoms noreset}
382	}
383	} errmsg] {error $errmsg}
384	}
385	}
386
387	# disable traces on entryvar until we are ready
388	set entrycmd(trace) 0
389	trace variable entryvar w entvartrace
390
391	#
392	#
393	#
394	##############################################################################
395	##### #####################################################
396	##### PROCEDURES SECTION #####################################################
397	##### #####################################################
398	##############################################################################
399
400	# save some of the global options in ~/.gsas_config
401	proc SaveOptions {} {
402	global expgui env tcl_platform
403	set fp [open [file join ~ .gsas_config] a]
404	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
405	puts $fp "set expgui($item) $expgui($item)"
406	}
407	if {$tcl_platform(platform) != "windows"} {
408	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
409	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
410	}
411	puts $fp "set expgui(showexptool) $expgui(showexptool)"
412	close $fp
413	}
414
415	proc About { } {
416	global expgui expmap
417	tk_dialog .about {About...} \
418	"EXPGUI\n\
419	Jonathan Wasserman and Brian Toby\n\
420	NIST Center for Neutron Research\n\n\
421	2000, Not subject to copyright\n\n\
422	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
423	Generalized Structure Analysis System (GSAS)\n\
424	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
425	" \
426	info 0 OK
427	}
428
429	# wait until idle
430	proc afterawhile {} {
431	# cancel any other instances of this loop
432	after cancel afterawhile
433	after cancel whenidle
434	after cancel whenidle
435	after idle whenidle
436	}
437
438	# This is called every 2 seconds to check for changes to the .EXP file
439	proc whenidle {} {
440	global expgui
441	if $expgui(titleunchanged) {
442	if {$expgui(changed) != 0} {
443	wm title . "$expgui(expfile) (modified)"
444	set expgui(titleunchanged) 0
445	}
446	}
447	if {$expgui(expModifiedLast) == 0} {
448	after 2000 afterawhile
449	return
450	}
451	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
452	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
453	if {$ans == 0} {
454	loadexp $expgui(expfile)
455	} elseif {$ans == 1} {
456	# reset the time to the next version
457	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
458	} elseif {$ans == 2} {
459	SaveAsFile
460	}
461	}
462	after 2000 afterawhile
463	}
464
465	# place a message about changes over the main window
466	proc ReloadExpMsg {file changes} {
467	global expgui tcl_platform
468	set msg "File $file has been modified by another program"
469	if {$changes == 1} {
470	append msg " and you have made a change to this version.\n"
471	} elseif {$changes > 0} {
472	append msg " and you have made $changes changes to this version.\n"
473	} else {
474	append msg ".\n"
475	}
476	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
477
478	set w .ask
479	catch {destroy $w}
480	toplevel $w -class Dialog
481	wm title $w "Reload?"
482	wm iconname $w "Reload?"
483	wm protocol $w WM_DELETE_WINDOW { }
484	wm transient $w .
485	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
486	pack [button $w.help -text Help -bg yellow \
487	-command "MakeWWWHelp expguierr.html Overwrite"] \
488	-side top -anchor e
489	frame $w.bot
490	pack $w.bot -side bottom
491	frame $w.top
492	pack $w.top -side top -fill both -expand 1
493	label $w.top.msg -justify left \
494	-wraplength 5i -font {Times 18} \
495	-text $msg
496	if {$tcl_platform(platform) == "windows"} {
497	$w.top.msg config -font {Times 14}
498	}
499	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
500	pack [button $w.bot.1 -text "Load new" \
501	-default active -command "set expgui(dialogbutton) 0" \
502	] -side left -expand 1 -padx 3m -pady 2m
503	pack [button $w.bot.2 -text "Continue with old" \
504	-command "set expgui(dialogbutton) 1"] \
505	-side left -expand 1 -padx 3m -pady 2m
506	if {$changes > 0} {
507	pack [button $w.bot.3 -text "Save edited version" \
508	-command "set expgui(dialogbutton) 2"] \
509	-side left -expand 1 -padx 3m -pady 2m
510	}
511	# Create a binding for <Return> on the dialog
512	bind $w <Return> "tkButtonInvoke $w.bot.1"
513	wm withdraw $w
514	update idletasks
515
516	# for windows put the box in the upper left, for
517	# unix center it over the parent (in unix it appears later)
518	#if {$tcl_platform(platform) == "windows"} {
519	#wm geom $w +0+0
520	#} else {
521
522	# for now, always center the message over the main window
523	# center the new window in the middle of the parent
524	set x [expr [winfo x .] + [winfo width .]/2 - \
525	[winfo reqwidth $w]/2 - [winfo vrootx .]]
526	set y [expr [winfo y .] + [winfo height .]/2 - \
527	[winfo reqheight $w]/2 - [winfo vrooty .]]
528	wm geom $w +$x+$y
529	#}
530	wm deiconify $w
531
532	# Grab the focus
533	set oldFocus [focus]
534	set oldGrab [grab current $w]
535	if {[string compare $oldGrab ""]} {
536	set grabStatus [grab status $oldGrab]
537	}
538	grab $w
539	focus $w.bot.1
540	# for windows rearrange window stacking
541	if {$tcl_platform(platform) == "windows"} {
542	lower .
543	raise $w .
544	}
545	update idletasks
546
547	tkwait variable expgui(dialogbutton)
548	catch {focus $oldFocus}
549	destroy $w
550	if {[string compare $oldGrab ""]} {
551	if {![string compare $grabStatus "global"]} {
552	grab -global $oldGrab
553	} else {
554	grab $oldGrab
555	}
556	}
557	# for windows rearrange window stacking
558	if {$tcl_platform(platform) == "windows"} {
559	raise .
560	}
561	return $expgui(dialogbutton)
562	}
563
564	# -------- called to confirm before exiting
565	proc catchQuit {} {
566	if {[confirmBeforeSave] == "Continue"} {
567	destroy .
568	}
569	}
570	# save the .EXP file before exiting?
571	proc confirmBeforeSave {} {
572	global expgui
573	if !$expgui(changed) {
574	return "Continue"
575	}
576	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
577	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
578	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
579	switch $decision {
580	0 { savearchiveexp; return "Continue" }
581	1 { return "Continue" }
582	2 { return "Cancel" }
583	}
584	}
585
586	proc archiveexp {} {
587	global expgui tcl_platform
588	# is there a file to archive
589	if {![file exists $expgui(expfile)]} return
590	catch {
591	set expnam [file rootname $expgui(expfile)]
592	if {$tcl_platform(platform) == "windows"} {
593	set version -1
594	catch {source $expnam.version}
595	incr version
596	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
597	# archive w/o pkzip
598	set file $expnam![format "%3.3d" $version].EXP
599	file copy -force $expnam.EXP $file
600	set fp [open $expnam.lst a]
601	puts $fp "\n--------------------------------------------------------------"
602	puts $fp "Archiving $expnam.EXP as $file"
603	puts $fp "--------------------------------------------------------------\n"
604	close $fp
605	} else {
606	# archive with PKZIP
607	# need to limit expnam to 8 characters
608	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
609	# PKZIP can't handle long dir names either
610	cd [set dir [file dirname $expnam]]
611	set file $sexp.[format "%3.3d" $version]
612	file copy -force $expnam.EXP $file
613	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
614	set fp [open $expnam.lst a]
615	puts $fp "\n--------------------------------------------------------------"
616	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
617	puts $fp "--------------------------------------------------------------\n"
618	close $fp
619	}
620	set fp [open $expnam.version w]
621	puts $fp "set version $version"
622	close $fp
623	} else {
624	set files [glob -nocomplain $expnam.EXP.*]
625	if {$files == ""} {
626	set file $expnam.EXP.000
627	} else {
628	set file [lindex [lsort -decreasing $files] 0]
629	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
630	incr number
631	set file $expnam.EXP.[format "%3.3d" $number]
632	}
633	file copy $expgui(expfile) $file
634	if [catch {exec gzip $file}] {
635	exec echo "\n----------------------------------------------" >> $expnam.LST
636	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
637	exec echo "----------------------------------------------\n" >> $expnam.LST
638	} else {
639	exec echo "\n----------------------------------------------" >> $expnam.LST
640	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
641	exec echo "----------------------------------------------\n" >> $expnam.LST
642	}
643	}
644	} errmsg
645	if {$errmsg != ""} {
646	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
647	}
648	}
649
650	# save and optionally archive the expfile
651	proc savearchiveexp {} {
652	global expgui expmap
653	if !$expgui(changed) return
654	if $expgui(archive) archiveexp
655	# add a history record
656	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
657	# now save the file
658	expwrite $expgui(expfile)
659	set expgui(changed) 0
660	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
661	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
662	wm title . $expgui(expfile)
663	set expgui(titleunchanged) 1
664	}
665
666	# setup buttons for each phase on the phase page
667	proc setphases {} {
668	global expgui expmap
669	eval destroy [winfo children $expgui(phaseFrame).top.ps]
670	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
671	foreach num $expmap(phaselist) type $expmap(phasetype) {
672	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
673	-command "SelectOnePhase $num" -padx 1.5m] -side left
674	if {$type > 3} {
675	$expgui(phaseFrame).top.ps.$num config -state disabled
676	}
677	}
678	if {[file executable $expgui(exptool)] && \
679	[llength $expmap(phaselist)]} {
680	pack [button $expgui(phaseFrame).top.ps.10 \
681	-text "Replace" -command MakeReplacePhaseBox \
682	] -side left
683	}
684	}
685
686	# Procedure to respond to changes the phase.
687	# This loads the "phases" widgets with data corresponding to the selected phase.
688	proc SelectOnePhase {num} {
689	global entryvar entrycmd entrybox expmap expgui
690	set crsPhase {}
691	$expgui(atomxform) config -text "Xform Atoms" -state disabled
692	foreach n $expmap(phaselist) type $expmap(phasetype) {
693	if {$n == $num && $type <= 3} {
694	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
695	set crsPhase $num
696	if {$type == 3} {
697	set expgui(phasetype) "Magnetic\nOnly"
698	} elseif {$type == 2} {
699	set expgui(phasetype) "Magnetic\n& Nuclear"
700	} elseif {$type == 4} {
701	# this is not used at present
702	set expgui(phasetype) "Macromolecular"
703	} else {
704	set expgui(phasetype) ""
705	}
706	} else {
707	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
708	}
709	}
710	# no phase is selected
711	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
712	# disable traces on entryvar
713	set entrycmd(trace) 0
714	set entrycmd(phasename) ""
715	set entryvar(phasename) ""
716	foreach ent {a b c alpha beta gamma cellref celldamp} {
717	set entrycmd($ent) ""
718	set entryvar($ent) ""
719	}
720	set expgui(curPhase) {}
721	# enable traces on entryvar
722	set entrycmd(trace) 1
723	$expgui(EditingAtoms) config -text ""
724	DisplayAtom 0 0
725	DisplayU 0 0
726	DisplayRefFlags 0 0
727	$expgui(atomlistbox) delete 0 end
728	return
729	}
730
731	set expgui(curPhase) $crsPhase
732	# we have a phase
733
734	# disable traces on entryvar for right now
735	set entrycmd(trace) 0
736
737	##########################################################
738	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
739	##########################################################
740	# phase title
741	set entrycmd(phasename) "phaseinfo $crsPhase name"
742	set entryvar(phasename) [phaseinfo $crsPhase name]
743	# cell parameters & flags
744	foreach ent {a b c alpha beta gamma cellref celldamp} {
745	set entrycmd($ent) "phaseinfo $crsPhase $ent"
746	set entryvar($ent) [phaseinfo $crsPhase $ent]
747	# reset item to black
748	catch {$entrybox($ent) config -fg black}
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 $expgui(bkgcolor1)
1034	}
1035	foreach item [lrange $expgui(anisoentry) 1 end] \
1036	var {U22 U33 U12 U13 U23} {
1037	set entrycmd($var) ""
1038	set entryvar($var) ""
1039	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1040	-state disabled
1041	}
1042	if { $iOrA == "disable"} {
1043	set entrycmd($var) ""
1044	set entryvar($var) ""
1045	[lindex $expgui(anisoentry) 0] config \
1046	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1047	-state disabled
1048	} else {
1049	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1050	set entryvar(U11) [eval $entrycmd(U11)]
1051	$firstbox config -text Uiso -fg black
1052	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1053	}
1054	}
1055	}
1056
1057	# need to think about multiple phases
1058
1059	# Procedure to display refinement flags
1060	proc DisplayRefFlags { atomnum p} {
1061	global expgui entryvar entrycmd
1062	if {$atomnum == 0} {
1063	foreach label $expgui(atomreflbl) {
1064	$label config -fg $expgui(bkgcolor1)
1065	}
1066	foreach entry $expgui(atomref) {
1067	$entry config -state disabled \
1068	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1069	# turn off checkbuttons
1070	catch {$entry deselect}
1071
1072	}
1073	return
1074	}
1075	foreach label $expgui(atomreflbl) {
1076	$label config -fg black
1077	}
1078	foreach entry $expgui(atomref) {
1079	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1080	}
1081	foreach var {xref uref fref xdamp udamp fdamp} {
1082	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1083	set entryvar($var) [eval $entrycmd($var)]
1084	}
1085	}
1086
1087	# Procedure to display an atom in the atom edit boxes
1088	proc DisplayAtom { atomnum p} {
1089	global expgui entryvar entrycmd
1090	if {$atomnum == 0} {
1091	foreach label $expgui(atomlabels) {
1092	$label config -fg $expgui(bkgcolor1)
1093	}
1094	foreach entry $expgui(atomentry) {
1095	$entry config -state disabled \
1096	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1097	}
1098	return
1099	}
1100	foreach label $expgui(atomlabels) {
1101	$label config -fg black
1102	}
1103	foreach entry $expgui(atomentry) {
1104	$entry config -state normal -fg black -bg white
1105	}
1106	foreach var {x y z label frac } {
1107	set entrycmd($var) "atominfo $p $atomnum $var"
1108	set entryvar($var) [eval $entrycmd($var)]
1109	}
1110	}
1111
1112	# make a histogram box; used in MakeHistPane,
1113	proc MakeHistBox {frm} {
1114	global expgui
1115	grid [label $frm.mode -text "Select a Histogram" \
1116	-bg beige -anchor center] \
1117	-row 0 -column 0 -columnspan 2 -sticky ew
1118	bind $frm.mode <Button-1> {
1119	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1120	set expgui(globalmode) [lindex \
1121	"$expgui(AllowedHistSelectModes) \
1122	$expgui(AllowedHistSelectModes)" [incr i]]
1123	sethistlist
1124	}
1125	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1126	grid [listbox $frm.title -height 1 -relief flat \
1127	-exportselection 0 \
1128	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1129	grid [listbox $frm.lbox -height 10 -width 25 \
1130	-exportselection 0 \
1131	-font $expgui(histfont) \
1132	-xscrollcommand "$frm.x set" \
1133	-yscrollcommand "$frm.y set" \
1134	] -row 2 -column 0 -sticky news
1135	lappend expgui(HistSelectList) $frm
1136	grid [scrollbar $frm.x -orient horizontal \
1137	-command "move2boxes \" $frm.title $frm.lbox \" "
1138	] -row 3 -column 0 -sticky ew
1139	grid [scrollbar $frm.y \
1140	-command "$frm.lbox yview"] \
1141	-row 2 -column 1 -sticky ns
1142	grid columnconfigure $frm 0 -weight 1
1143	grid rowconfigure $frm 2 -weight 1
1144	}
1145
1146	# update the histogram list
1147	# to do: show histogram ref flags?
1148	proc sethistlist {} {
1149	global expgui expmap
1150	array set lbl {
1151	1 "Select 1 or more\nTOF Histograms"
1152	2 "Select 1 or more\nCW Neutron Histograms"
1153	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1154	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1155	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1156	6 "Select 1 or more of\n any type Histograms"
1157	}
1158	foreach lbox $expgui(HistSelectList) {
1159	$lbox.title delete 0 end
1160	$lbox.lbox delete 0 end
1161	if {$expgui(globalmode) != 0} {
1162	$lbox.lbox config -selectmode extended
1163	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1164	} else {
1165	$lbox.lbox config -selectmode browse
1166	$lbox.mode config -text "Select a histogram" -bg beige
1167	}
1168	}
1169	# disable the unallowed pages in all mode
1170	if {$expgui(globalmode) == 6} {
1171	foreach pair $expgui(GlobalModeAllDisable) {
1172	if {$expgui(pagenow) == [lindex $pair 0]} {
1173	RaisePage lsFrame
1174	}
1175	eval [lindex $pair 1] -state disabled
1176	}
1177	} else {
1178	foreach pair $expgui(GlobalModeAllDisable) {
1179	eval [lindex $pair 1] -state normal
1180	}
1181	}
1182	set histlist {}
1183	if {$expgui(hsorttype) == "type"} {
1184	# sort on histogram type
1185	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1186	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1187	}
1188	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1189	} elseif {$expgui(hsorttype) == "number"} {
1190	# sort on histogram number
1191	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1192	lappend histlist "$h $h"
1193	}
1194	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1195	} elseif {$expgui(hsorttype) == "bank"} {
1196	# sort on original bank number
1197	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1198	lappend histlist "$h [histinfo $h bank]"
1199	}
1200	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1201	} elseif {$expgui(hsorttype) == "angle"} {
1202	# sort on wavelength (CW) or angle (E disp.)
1203	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1204	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1205	set det [format %8.2f [histinfo $h tofangle]]
1206	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1207	set det [format %8.5f [histinfo $h lam1]]
1208	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1209	set det [format %8.2f [histinfo $h lam1]]
1210	} else {
1211	set det {}
1212	}
1213	lappend histlist "$h $det"
1214	}
1215	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1216	}
1217
1218	# title field needs to match longest title
1219	foreach lbox $expgui(HistSelectList) {
1220	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1221	"h#" \
1222	type \
1223	bank \
1224	"ang/wave" \
1225	" title" \
1226	]
1227	}
1228	foreach tuple $expmap(histlistboxcontents) {
1229	set h [lindex $tuple 0]
1230
1231	if {$expgui(globalmode) == 1} {
1232	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1233	} elseif {$expgui(globalmode) == 2} {
1234	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1235	} elseif {$expgui(globalmode) == 3} {
1236	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1237	[histinfo $h lam2] == 0.0} continue
1238	} elseif {$expgui(globalmode) == 4} {
1239	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1240	[histinfo $h lam2] != 0.0} continue
1241	} elseif {$expgui(globalmode) == 5} {
1242	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1243	}
1244
1245	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1246	set det [format %8.2f [histinfo $h tofangle]]
1247	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1248	set det [format %8.5f [histinfo $h lam1]]
1249	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1250	set det [format %8.2f [histinfo $h lam1]]
1251	} else {
1252	set det {}
1253	}
1254	foreach lbox $expgui(HistSelectList) {
1255	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1256	$h \
1257	[string range $expmap(htype_$h) 1 2] \
1258	[histinfo $h bank] \
1259	$det \
1260	[string range [histinfo $h title] 0 66] \
1261	]
1262	}
1263	}
1264	UpdateCurrentPage
1265	}
1266
1267	proc UpdateCurrentPage {} {
1268	global expgui
1269	foreach set $expgui(frameactionlist) {
1270	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1271	}
1272	}
1273
1274	#-----------------------------------------------------------------------
1275	# ----------- draw Histogram page
1276	#-----------------------------------------------------------------------
1277	proc DisplayHistogram {} {
1278	global expgui entrycmd entryvar entrybox expmap
1279
1280	# trap if more than one histogram is selected unless global mode
1281	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1282	set expgui(curhist) [lindex $expgui(curhist) 0]
1283	}
1284
1285	# display the selected histograms
1286	$expgui(histFrame).hs.lbox selection clear 0 end
1287	foreach h $expgui(curhist) {
1288	$expgui(histFrame).hs.lbox selection set $h
1289	}
1290
1291	# disable traces on entryvar for right now
1292	set entrycmd(trace) 0
1293
1294	# get histogram list
1295	set histlist {}
1296	foreach item $expgui(curhist) {
1297	lappend histlist [lindex $expmap(powderlist) $item]
1298	}
1299	# must have at least one histogram selected here
1300	if {[llength $histlist] == 0} {
1301	set expgui(backtermlbl) ""
1302	set expgui(backtypelbl) ""
1303	foreach var {bref bdamp} {
1304	set entrycmd($var) ""
1305	set entryvar($var) ""
1306	}
1307	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1308	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1309	set expgui(bkglbl) ""
1310	eval destroy [winfo children $expgui(diffBox)]
1311	set entrycmd(trace) 1
1312	return
1313	}
1314
1315	if {$expgui(globalmode) != 0} {
1316	set expgui(backtermlbl) ""
1317	set expgui(backtypelbl) ""
1318	foreach var {bref bdamp} {
1319	set entrycmd($var) "histinfo [list $histlist] $var"
1320	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1321	}
1322	} else {
1323	set hist $histlist
1324	set terms [histinfo $hist backterms]
1325	set expgui(backtermlbl) "($terms terms)"
1326	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1327	foreach var {bref bdamp} {
1328	set entrycmd($var) "histinfo $hist $var"
1329	set entryvar($var) [eval $entrycmd($var)]
1330	}
1331	}
1332	# Top box
1333	if $expgui(haveBW) {
1334	catch {destroy $expgui(histFrame).pflag}
1335	}
1336	if {$expgui(globalmode) != 0} {
1337	$expgui(histFrame).top.txt config \
1338	-text "Selected Histograms: [CompressList $histlist]"
1339	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1340	set expgui(bkglbl) "Globally Edit Background"
1341	} else {
1342	grid forget $expgui(histFrame).top
1343	set expgui(bkglbl) "Edit Background"
1344	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1345	TitleFrame $expgui(histFrame).pflag \
1346	-borderwidth 4 -side left -relief groove \
1347	-text "Phase Flags"
1348	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1349	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1350	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1351	foreach p $expmap(phaselist) {
1352	pack [checkbutton $expgui(pflag).$p \
1353	-command "GetPhaseFlags $hist" \
1354	-variable expgui(pflag$p) -text $p] -side left
1355	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1356	set expgui(pflag$p) 0
1357	} else {
1358	set expgui(pflag$p) 1
1359	}
1360	}
1361	}
1362	}
1363
1364	# diffractometer constants
1365	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1366	wref pref dcref daref ratref ttref zref } {
1367	set entrycmd($var) "histinfo [list $histlist] $var"
1368	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1369	}
1370
1371	eval destroy [winfo children $expgui(diffBox)]
1372	if {$expgui(globalmode) == 0} {
1373	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1374	#------
1375	# TOF \|
1376	#------
1377	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1378	-column 1 -row 1
1379	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1380	-column 2 -row 1
1381	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1382	-column 3 -row 1 -sticky w
1383	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1384	-width 15 ] -column 4 -row 1
1385	set entrybox(lam1) $expgui(diffBox).eDCdifc
1386	#
1387	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1388	-column 1 -row 2
1389	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1390	-column 2 -row 2
1391	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1392	-column 3 -row 2
1393	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1394	-width 15 ] -column 4 -row 2
1395	set entrybox(lam2) $expgui(diffBox).eDCdifa
1396	#
1397	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1398	-column 3 -row 3
1399	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1400	-width 15 ] -column 4 -row 3
1401	set entrybox(zero) $expgui(diffBox).eDCzero
1402	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1403	-column 1 -row 3 -sticky w
1404	grid [ checkbutton $expgui(diffBox).rfDCzref \
1405	-variable entryvar(zref) ] -column 2 -row 3
1406	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1407	#---------------
1408	# CW - neutron \|
1409	#---------------
1410	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1411	-column 1 -row 1
1412	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1413	-column 2 -row 1
1414	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1415	-column 3 -row 1 -sticky w
1416	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1417	-width 15 ] -column 4 -row 1
1418	set entrybox(lam1) $expgui(diffBox).eDCdifc
1419	#
1420	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1421	-column 1 -row 3 -sticky w
1422	grid [ checkbutton $expgui(diffBox).rfDCzref \
1423	-variable entryvar(zref) ] -column 2 -row 3
1424	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1425	-column 3 -row 3
1426	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1427	-width 15 ] -column 4 -row 3
1428	set entrybox(zero) $expgui(diffBox).eDCzero
1429	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1430	[histinfo $hist lam2] == 0.0} {
1431	#--------------------------
1432	# CW - x-ray 1 wavelength \|
1433	#--------------------------
1434	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1435	-column 1 -row 1
1436	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1437	-column 2 -row 1
1438	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1439	-column 3 -row 1 -sticky w
1440	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1441	-width 15 ] -column 4 -row 1
1442	set entrybox(lam1) $expgui(diffBox).eDCdifc
1443	#
1444	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1445	-column 1 -row 3 -sticky w
1446	grid [ checkbutton $expgui(diffBox).rfDCzref \
1447	-variable entryvar(zref) ] -column 2 -row 3
1448	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1449	-column 3 -row 3
1450	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1451	-width 15 ] -column 4 -row 3
1452	set entrybox(zero) $expgui(diffBox).eDCzero
1453	#
1454	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1455	-column 1 -row 4 -sticky w
1456	grid [ checkbutton $expgui(diffBox).rfDCpref \
1457	-variable entryvar(pref) ] -column 2 -row 4
1458	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1459	-column 3 -row 4
1460	grid [ entry $expgui(diffBox).eDCpola \
1461	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1462	set entrybox(pola) $expgui(diffBox).eDCpola
1463	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1464	-column 5 -row 4
1465	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1466	-textvariable entryvar(ipola)] -column 6 -row 4
1467	set entrybox(ipola) $expgui(diffBox).eDCipola
1468	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1469	#---------------------------
1470	# CW - x-ray 2 wavelengths \|
1471	#---------------------------
1472	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1473	-column 3 -row 1 -sticky w
1474	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1475	-width 15 ] -column 4 -row 1
1476	set entrybox(lam1) $expgui(diffBox).eDCdifc
1477	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1478	-width 15 ] -column 5 -row 1
1479	set entrybox(lam2) $expgui(diffBox).eDCdifa
1480	#
1481	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1482	-column 1 -row 2 -sticky w
1483	grid [ checkbutton $expgui(diffBox).rfDCrref \
1484	-variable entryvar(ratref) ] -column 2 -row 2
1485	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1486	-column 3 -row 2
1487	grid [ entry $expgui(diffBox).eDCkratio \
1488	-textvariable entryvar(kratio) \
1489	-width 15 ] -column 4 -row 2
1490	set entrybox(kratio) $expgui(diffBox).eDCkratio
1491	#
1492	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1493	-column 3 -row 3
1494	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1495	-width 15 ] -column 4 -row 3
1496	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1497	-column 1 -row 3 -sticky w
1498	set entrybox(zero) $expgui(diffBox).eDCzero
1499	grid [ checkbutton $expgui(diffBox).rfDCzref \
1500	-variable entryvar(zref) ] -column 2 -row 3
1501	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1502	-column 1 -row 4 -sticky w
1503	grid [ checkbutton $expgui(diffBox).rfDCpref \
1504	-variable entryvar(pref) ] -column 2 -row 4
1505	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1506	-column 3 -row 4
1507	grid [ entry $expgui(diffBox).eDCpola \
1508	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1509	set entrybox(pola) $expgui(diffBox).eDCpola
1510	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1511	-column 5 -row 4
1512	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1513	-textvariable entryvar(ipola)] -column 6 -row 4
1514	set entrybox(ipola) $expgui(diffBox).eDCipola
1515	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1516	#-------------
1517	# ED - x-ray \|
1518	#-------------
1519	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1520	-column 1 -row 1
1521	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1522	-column 2 -row 1
1523	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1524	-column 3 -row 1 -sticky w
1525	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1526	-width 15 ] -column 4 -row 1
1527	set entrybox(lam1) $expgui(diffBox).eDCdifc
1528	#
1529	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1530	-column 1 -row 4 -sticky w
1531	grid [ checkbutton $expgui(diffBox).rfDCpref \
1532	-variable entryvar(pref) ] -column 2 -row 4
1533	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1534	-column 3 -row 4
1535	grid [ entry $expgui(diffBox).eDCpola \
1536	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1537	set entrybox(pola) $expgui(diffBox).eDCpola
1538	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1539	-column 5 -row 4
1540	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1541	-textvariable entryvar(ipola)] -column 6 -row 4
1542	set entrybox(ipola) $expgui(diffBox).eDCipola
1543	}
1544	} elseif {$expgui(globalmode) == 1} {
1545	#-------------
1546	# Global TOF \|
1547	#-------------
1548	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1549	-column 1 -row 1
1550	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1551	-column 2 -row 1
1552	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1553	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1554	#
1555	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1556	-column 1 -row 2
1557	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1558	-column 2 -row 2
1559	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1560	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1561	#
1562	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1563	-column 1 -row 3 -sticky w
1564	grid [ checkbutton $expgui(diffBox).rfDCzref \
1565	-variable entryvar(zref) ] -column 2 -row 3
1566	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1567	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1568	} elseif {$expgui(globalmode) == 2} {
1569	#--------------------
1570	# Global CW neutron \|
1571	#--------------------
1572	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1573	-column 1 -row 1
1574	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1575	-column 2 -row 1
1576	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1577	-command "editglobalparm histinfo lam1 Wavelength"] \
1578	-column 3 -row 1
1579	#
1580	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1581	-column 1 -row 3 -sticky w
1582	grid [ checkbutton $expgui(diffBox).rfDCzref \
1583	-variable entryvar(zref) ] -column 2 -row 3
1584	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1585	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1586	} elseif {$expgui(globalmode) == 4} {
1587	#----------------------
1588	# Global CW mono xray \|
1589	#----------------------
1590	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1591	-column 1 -row 1
1592	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1593	-column 2 -row 1
1594	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1595	-command "editglobalparm histinfo lam1 Wavelength"] \
1596	-column 3 -row 1
1597	#
1598	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1599	-column 1 -row 3 -sticky w
1600	grid [ checkbutton $expgui(diffBox).rfDCzref \
1601	-variable entryvar(zref) ] -column 2 -row 3
1602	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1603	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1604	#
1605	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1606	-column 1 -row 4 -sticky w
1607	grid [ checkbutton $expgui(diffBox).rfDCpref \
1608	-variable entryvar(pref) ] -column 2 -row 4
1609	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1610	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1611	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1612	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1613	} elseif {$expgui(globalmode) == 3} {
1614	#------------------------
1615	# Global alpha 1,2 xray \|
1616	#------------------------
1617	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1618	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1619	-column 3 -row 1
1620	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1621	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1622	-column 4 -row 1
1623	#
1624	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1625	-column 1 -row 3 -sticky w
1626	grid [ checkbutton $expgui(diffBox).rfDCratref \
1627	-variable entryvar(ratref) ] -column 2 -row 3
1628	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1629	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1630	-column 3 -row 3
1631	#
1632	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1633	-column 1 -row 3 -sticky w
1634	grid [ checkbutton $expgui(diffBox).rfDCzref \
1635	-variable entryvar(zref) ] -column 2 -row 3
1636	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1637	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1638	#
1639	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1640	-column 1 -row 4 -sticky w
1641	grid [ checkbutton $expgui(diffBox).rfDCpref \
1642	-variable entryvar(pref) ] -column 2 -row 4
1643	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1644	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1645	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1646	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1647	} elseif {$expgui(globalmode) == 5} {
1648	#-----------------
1649	# Global ED xray \|
1650	#-----------------
1651	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1652	-column 1 -row 1
1653	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1654	-column 2 -row 1
1655	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1656	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1657	-column 3 -row 1
1658	#
1659	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1660	-column 1 -row 4 -sticky w
1661	grid [ checkbutton $expgui(diffBox).rfDCpref \
1662	-variable entryvar(pref) ] -column 2 -row 4
1663	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1664	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1665	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1666	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1667	}
1668	if {$expgui(globalmode) == 0} {
1669	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1670	-columnspan 2 -sticky e
1671	} else {
1672	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1673	-columnspan 2 -sticky e
1674	}
1675	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1676	-column 1 -row 1
1677	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1678	grid $expgui(diffBox).d.om -column 2 -row 1
1679	grid columnconfigure $expgui(diffBox) 9 -weight 1
1680	grid columnconfigure $expgui(diffBox) 0 -weight 1
1681	update idletasks
1682	# enable traces on entryvar now
1683	set entrycmd(trace) 1
1684	}
1685
1686	# this gets the phase flags as set in the expgui(pflag*) elements
1687	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1688	# accordingly using SetPhaseFlag
1689	proc GetPhaseFlags {hist} {
1690	global expmap expgui
1691	set plist {}
1692	foreach p $expmap(phaselist) {
1693	if {$expgui(pflag$p)} {lappend plist $p}
1694	}
1695	SetPhaseFlag $hist $plist
1696	incr expgui(changed)
1697	mapexp
1698	}
1699
1700	#-----------------------------------------------------------------------
1701	# populate the Scaling page
1702	#-----------------------------------------------------------------------
1703	proc DisplayFrac {} {
1704	global expgui entrycmd entryvar entrybox expmap
1705
1706	# trap if more than one histogram is selected unless global mode
1707	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1708	set expgui(curhist) [lindex $expgui(curhist) 0]
1709	}
1710
1711	# display the selected histograms
1712	$expgui(fracFrame).hs.lbox selection clear 0 end
1713	foreach h $expgui(curhist) {
1714	$expgui(fracFrame).hs.lbox selection set $h
1715	}
1716
1717	# disable traces on entryvar
1718	set entrycmd(trace) 0
1719
1720	# get histogram list
1721	set histlist {}
1722	foreach item $expgui(curhist) {
1723	lappend histlist [lindex $expmap(powderlist) $item]
1724	}
1725
1726	# must have at least one histogram selected here
1727	if {[llength $histlist] == 0} {
1728	foreach var {scale sref sdamp} {
1729	set entrycmd($var) ""
1730	set entryvar($var) ""
1731	}
1732	set parm [grid info $expgui(scaleBox).but1]
1733	if {$parm != ""} {
1734	grid forget $expgui(scaleBox).but1
1735	eval grid $expgui(scaleBox).ent1 $parm
1736	}
1737	# destroy the contents of the frame
1738	set phaseFractf1 $expgui(FracBox).f
1739	eval destroy [winfo children $phaseFractf1]
1740	# reenable traces on entryvar
1741	set entrycmd(trace) 1
1742	return
1743	}
1744
1745	#--------------
1746	# Scale factor
1747	#--------------
1748	if {$expgui(globalmode) != 0} {
1749	foreach var {scale sref sdamp} {
1750	set entrycmd($var) "histinfo [list $histlist] $var"
1751	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1752	}
1753	# reset scale to black
1754	catch {$entrybox(scale) config -fg black}
1755	set parm [grid info $expgui(scaleBox).ent1]
1756	if {$parm != ""} {
1757	grid forget $expgui(scaleBox).ent1
1758	eval grid $expgui(scaleBox).but1 $parm
1759	}
1760	} else {
1761	set hist $histlist
1762	foreach var {scale sref sdamp} {
1763	set entrycmd($var) "histinfo $hist $var"
1764	set entryvar($var) [eval $entrycmd($var)]
1765	}
1766	# reset scale to black
1767	catch {$entrybox(scale) config -fg black}
1768	set parm [grid info $expgui(scaleBox).but1]
1769	if {$parm != ""} {
1770	grid forget $expgui(scaleBox).but1
1771	eval grid $expgui(scaleBox).ent1 $parm
1772	}
1773	}
1774
1775	#----------------
1776	# Phase Fractions
1777	#----------------
1778	set phaseFractf1 $expgui(FracBox).f
1779	# destroy the contents of the frame
1780	eval destroy [winfo children $phaseFractf1]
1781	if {$expgui(globalmode) != 0} {
1782	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1783	} else {
1784	set txt "Phase Fractions"
1785	}
1786	if $expgui(haveBW) {
1787	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1788	} else {
1789	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1790	-column 0 -row 0 -sticky news
1791	}
1792	# Create the frame inside the canvas, One frame for each Phase.
1793	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1794	foreach hist $histlist {
1795	foreach i $expmap(phaselist_$hist) {
1796	lappend phasehistlist($i) $hist
1797	}
1798	}
1799	foreach i {1 2 3 4 5 6 7 8 9} {
1800	if {[llength $phasehistlist($i)] == 0} continue
1801	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1802	grid $framePF -column 0 -row $i -sticky ew
1803	# Label Heading for each phase.
1804	if {$expgui(globalmode) != 0} {
1805	grid [label $framePF.l1 \
1806	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1807	-column 0 -row 0 -sticky nws
1808	grid [button $framePF.but1 -text "Set Globally" \
1809	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1810	[list $phasehistlist($i)] $i" \
1811	] -column 1 -row 0
1812	} else {
1813	grid [label $framePF.l1 -text "Phase $i"] \
1814	-column 0 -row 0 -sticky nws
1815	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1816	-column 1 -row 0
1817	set entrybox(frac$i) $framePF.ent
1818	}
1819	set entrycmd(frac$i) "hapinfo $hist $i frac"
1820	set entryvar(frac$i) [hapinfo $hist $i frac]
1821	grid [label $framePF.l2 -text " Refine"] \
1822	-column 2 -row 0 -sticky nws
1823	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1824	-column 3 -row 0 -sticky nws
1825	set entrycmd(frref$i) "hapinfo $hist $i frref"
1826	set entryvar(frref$i) [hapinfo $hist $i frref]
1827	grid [label $framePF.l3 -text " Damping"] \
1828	-column 4 -row 0 -sticky nws
1829	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1830	0 1 2 3 4 5 6 7 8 9
1831	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1832	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1833	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1834	}
1835	# resize the scroll window to match the actual
1836	update idletasks
1837	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1838	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1839	update idletasks
1840	# enable traces on entryvar now
1841	set entrycmd(trace) 1
1842	}
1843
1844	#-----------------------------------------------------------------------
1845	# display the profile page
1846	#-----------------------------------------------------------------------
1847	proc DisplayProfile {} {
1848	global expgui entrycmd entryvar entrybox expmap
1849
1850	# trap if more than one histogram is selected unless global mode
1851	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1852	set expgui(curhist) [lindex $expgui(curhist) 0]
1853	}
1854	# display the selected histograms
1855	$expgui(profFrame).hs.lbox selection clear 0 end
1856	foreach h $expgui(curhist) {
1857	$expgui(profFrame).hs.lbox selection set $h
1858	}
1859
1860	# destroy the contents of the frame
1861	eval destroy [winfo children $expgui(ProfileBox).f]
1862
1863	if {$expgui(globalmode) == 0} {
1864	# must have at least one histogram selected here
1865	if {[llength $expgui(curhist)] == 0} return
1866	# disable traces on entryvar for right now
1867	set entrycmd(trace) 0
1868	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1869	# no defined histograms?
1870	if {$hist == ""} return
1871	# Create one frame for each Phase.
1872	set ind -1
1873	set htype [string range $expmap(htype_$hist) 2 2]
1874	foreach i $expmap(phaselist_$hist) {
1875	incr ind
1876	# Label Heading for each phase.
1877	set ptype [string trim [hapinfo $hist $i proftype]]
1878	if {$expgui(haveBW)} {
1879	grid [TitleFrame $expgui(ProfileBox).f.$i \
1880	-text "Hist $hist -- Phase $i (type $ptype)" \
1881	-relief groove -bd 2] \
1882	-column 0 -row $ind -sticky ew
1883	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1884	grid [frame $ProfileFrame.1] \
1885	-column 0 -row 0 -columnspan 10
1886	pack [label $ProfileFrame.1.l \
1887	-text Damping]\
1888	-side left
1889	} else {
1890	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1891	-column 0 -row $ind -sticky ew
1892	set ProfileFrame $expgui(ProfileBox).f.$i
1893	grid [frame $ProfileFrame.1] \
1894	-column 0 -row 0 -columnspan 10 -sticky ew
1895	pack [label $ProfileFrame.1.l \
1896	-text "Phase $i (type $ptype) Damping"]\
1897	-side left
1898	}
1899	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1900	0 1 2 3 4 5 6 7 8 9
1901	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1902	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1903	pack $ProfileFrame.1.tkOptDamp -side left
1904	pack [label $ProfileFrame.1.l1 \
1905	-text " Peak cutoff"]\
1906	-side left
1907	pack [entry $ProfileFrame.1.e1 \
1908	-width 10 -textvariable entryvar(pcut_$i)]\
1909	-side left
1910	set entrybox(pcut_$i) $ProfileFrame.1.e1
1911	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1912	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1913
1914	pack [button $ProfileFrame.1.b1 \
1915	-text "Change Type" \
1916	-command "ChangeProfileType $hist $i"]\
1917	-side left
1918
1919	set col -1
1920	set row 1
1921	set nterms [hapinfo $hist $i profterms]
1922	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1923	for { set num 1 } { $num <= $nterms } { incr num } {
1924	set term {}
1925	catch {set term [lindex $lbls $num]}
1926	if {$term == ""} {set term $num}
1927	incr col
1928	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1929	-row $row -column $col
1930	incr col
1931	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1932	-variable entryvar(pref${num}_$i)] -row $row -column $col
1933	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1934	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1935	incr col
1936	grid [entry $ProfileFrame.ent${num}_${i} \
1937	-textvariable entryvar(pterm${num}_$i)\
1938	-width 12] -row $row -column $col
1939	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
1940	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1941	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1942	if {$col > 6} {set col -1; incr row}
1943	}
1944	}
1945	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1946	} else {
1947	# get histogram list
1948	set histlist {}
1949	foreach item $expgui(curhist) {
1950	lappend histlist [lindex $expmap(powderlist) $item]
1951	}
1952	# must have at least one histogram selected here
1953	if {[llength $histlist] == 0} return
1954	# disable traces on entryvar for right now
1955	set entrycmd(trace) 0
1956	# loop through histograms & phases, set up an array by phase & profile type
1957	catch {unset prtyparray histarray phasearray}
1958	foreach hist $histlist {
1959	foreach phase $expmap(phaselist_$hist) {
1960	set prtyp [string trim [hapinfo $hist $phase proftype]]
1961	set key ${prtyp}_$phase
1962	lappend prtyparray($key) $hist
1963	lappend histarray($key) $hist
1964	lappend phasearray($key) $phase
1965	}
1966	}
1967
1968	set ptype ""
1969	set i -1
1970	# loop over all combined phases and profile types, sorted 1st by profile number
1971	foreach key [lsort [array names prtyparray]] {
1972	# split key
1973	scan $key %d_%d prftyp p
1974
1975	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1976	set ptype $prftyp
1977	set curhistlist $histarray($key)
1978	set curphaslist $phasearray($key)
1979
1980	set hist1 [lindex $curhistlist 0]
1981	set phase1 [lindex $curphaslist 0]
1982	set nterms [hapinfo $hist1 $phase1 profterms]
1983	set htype [string range $expmap(htype_$hist1) 2 2]
1984	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1985	# Create a frame for this type
1986	incr i
1987	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1988	if {$expgui(haveBW)} {
1989	grid [TitleFrame $expgui(ProfileBox).f.$i \
1990	-text "(type $ptype)" \
1991	-relief groove -bd 2] \
1992	-column 0 -row $i -sticky ew
1993	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1994	grid [frame $ProfileFrame.0] \
1995	-column 0 -row 0 -columnspan 20 -sticky ew
1996	} else {
1997	grid [frame $expgui(ProfileBox).f.$i \
1998	-relief groove -bd 4] \
1999	-column 0 -row $i -sticky ew
2000	set ProfileFrame $expgui(ProfileBox).f.$i
2001	grid [frame $ProfileFrame.0] \
2002	-column 0 -row 0 -columnspan 20 -sticky ew
2003	grid [label $ProfileFrame.0.0 \
2004	-text "Profile Type $ptype "] -row 0 -column 0
2005	}
2006	grid [label $ProfileFrame.0.1 \
2007	-anchor w] -row 0 -column 1
2008	grid [frame $ProfileFrame.1] \
2009	-column 0 -row 1 -columnspan 20 -sticky ew
2010	grid [label $ProfileFrame.1.2 \
2011	-text "Damping"] -row 0 -column 2
2012	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2013	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2014	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2015	grid [button $ProfileFrame.1.edit \
2016	-text "Global Edit"] -row 0 -column 4 -sticky w
2017	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2018	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2019	-row 0 -column 5 -sticky w
2020	set col -1
2021	set row 2
2022	for { set num 1 } { $num <= $nterms } { incr num } {
2023	set term {}
2024	catch {set term [lindex $lbls $num]}
2025	if {$term == ""} {set term $num}
2026	incr col
2027	grid [label $ProfileFrame.l${num}_${i} \
2028	-text "$term"] -row $row -column $col
2029	incr col
2030	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2031	-variable entryvar(pref${num}_$i)] \
2032	-row $row -column $col
2033	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2034	if {$col > 10} {set col -1; incr row}
2035	}
2036	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2037	} else {
2038	# add to the current entry
2039	eval lappend curhistlist $histarray($key)
2040	eval lappend curphaslist $phasearray($key)
2041	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2042	}
2043	$ProfileFrame.0.1 config -text $boxtitle
2044	$ProfileFrame.1.edit config -command "\
2045	EditProfile \"\n$boxtitle\" \
2046	[list $curhistlist] \
2047	[list $curphaslist]"
2048	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2049	[list $curhistlist] [list $curphaslist]"
2050	set entrycmd(pdamp_$i) "hapinfo \
2051	[list $curhistlist] \
2052	[list $curphaslist] pdamp"
2053	for { set num 1 } { $num <= $nterms } { incr num } {
2054	set entrycmd(pref${num}_$i) "hapinfo \
2055	[list $curhistlist] \
2056	[list $curphaslist] pref$num"
2057	}
2058	}
2059	}
2060
2061	# resize the scroll window to match the actual
2062	update idletasks
2063	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2064	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2065	update idletasks
2066	ResizeNotebook
2067	# enable traces on entryvar now
2068	set entrycmd(trace) 1
2069	}
2070
2071	# process the bit settings in the print options
2072	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2073	proc printsetting {bitnum "action get" "value {}"} {
2074	global entryvar expgui
2075	if {$action == "get"} {
2076	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2077	} elseif $value {
2078	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2079	} else {
2080	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2081	}
2082	expinfo print set $newval
2083	set expgui(printopt) "Print Options ([expinfo print])"
2084	}
2085
2086	# need to respond to mouse presses -- control variable associated with extract Fobs
2087	# and set the LeBail extraction flags
2088	proc SetupExtractHist {} {
2089	global expgui entrycmd entryvar expmap
2090
2091	# display the selected histograms
2092	$expgui(lsFrame).hs.lbox selection clear 0 end
2093	foreach h $expgui(curhist) {
2094	$expgui(lsFrame).hs.lbox selection set $h
2095	}
2096
2097	# get histogram list
2098	set histlist {}
2099	foreach item $expgui(curhist) {
2100	set hist [lindex $expmap(powderlist) $item]
2101	if {$hist != ""} {lappend histlist $hist}
2102	}
2103	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2104	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2105	foreach phase {1 2 3 4 5 6 7 8 9} {
2106	$expgui(FobsExtractFrame).l$phase config -fg grey
2107	set expgui(Fextract$phase) {}
2108	foreach item $expgui(ExtractSettingsRadiobuttons) {
2109	${item}$phase config -state disabled -bd 1
2110	}
2111	}
2112	} elseif {[llength $histlist] == 1} {
2113	# disable traces on entryvar
2114	set entrycmd(trace) 0
2115	set entryvar(fobsextract) [histinfo $histlist foextract]
2116	foreach phase {1 2 3 4 5 6 7 8 9} {
2117	# is the phase present?
2118	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2119	$expgui(FobsExtractFrame).l$phase config -fg grey
2120	set expgui(Fextract$phase) {}
2121	foreach item $expgui(ExtractSettingsRadiobuttons) {
2122	${item}$phase config -state disabled -bd 1
2123	}
2124	} else {
2125	$expgui(FobsExtractFrame).l$phase config -fg black
2126	foreach item $expgui(ExtractSettingsRadiobuttons) {
2127	${item}$phase config -state normal -bd 2
2128	}
2129	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2130	}
2131	}
2132	} elseif {[llength $histlist] > 1} {
2133	# disable traces on entryvar
2134	set entrycmd(trace) 0
2135	# multiple histograms need phases in any histogram
2136	foreach phase {1 2 3 4 5 6 7 8 9} {
2137	set gotphase($phase) 0
2138	}
2139	foreach hist $histlist {
2140	foreach phase $expmap(phaselist_$hist) {
2141	set gotphase($phase) 1
2142	}
2143	}
2144	foreach phase {1 2 3 4 5 6 7 8 9} {
2145	set expgui(Fextract$phase) {}
2146	if $gotphase($phase) {
2147	$expgui(FobsExtractFrame).l$phase config -fg black
2148	foreach item $expgui(ExtractSettingsRadiobuttons) {
2149	${item}$phase config -state normal -bd 2
2150	}
2151	} else {
2152	$expgui(FobsExtractFrame).l$phase config -fg grey
2153	foreach item $expgui(ExtractSettingsRadiobuttons) {
2154	${item}$phase config -state disabled -bd 1
2155	}
2156	}
2157	}
2158	}
2159	# reenable traces
2160	set entrycmd(trace) 1
2161	}
2162	# respond to a change in the fobs extraction method for a phase
2163	# force the main extraction flag on, if fobs extraction is selected for any phase
2164	proc HistExtractSet {phase} {
2165	global expgui entryvar expmap
2166	foreach item $expgui(curhist) {
2167	lappend histlist [lindex $expmap(powderlist) $item]
2168	}
2169	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2170	incr expgui(changed)
2171	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2172	}
2173	#---------------------------- Global Edit Functions ------------------------
2174	proc editbackground {} {
2175	global expgui expmap entrycmd
2176	set histlist {}
2177	foreach n $expgui(curhist) {
2178	lappend histlist [lindex $expmap(powderlist) $n]
2179	}
2180	if {[llength $histlist] == 0} return
2181
2182	set w .back
2183	catch {destroy $w}
2184	toplevel $w -bg beige
2185	if {$expgui(globalmode) != 0} {
2186	wm title $w "Global Edit Background"
2187	} else {
2188	wm title $w "Edit Background"
2189	}
2190
2191	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2192	] -side top -expand yes -fill both
2193	if {[llength $histlist] > 1} {
2194	grid [label $w.0.a \
2195	-text "Setting background terms for histograms [CompressList $histlist]" \
2196	-bg beige] -row 0 -column 0 -columnspan 10
2197	} else {
2198	grid [label $w.0.a \
2199	-text "Setting background terms for histogram $histlist" \
2200	-bg beige] -row 0 -column 0 -columnspan 10
2201	}
2202	set hist [lindex $histlist 0]
2203	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2204
2205	# disable traces on expgui(backtype) & expgui(backterms) now
2206	set entrycmd(trace) 0
2207
2208	# number of terms
2209	set expgui(backtype) [histinfo $hist backtype]
2210	set expgui(orig_backtype) $expgui(backtype)
2211	set expgui(prev_backtype) $expgui(backtype)
2212	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2213	$typemenu delete 0 end
2214	foreach item {
2215	"1 - Shifted Chebyshev"
2216	"2 - Cosine Fourier series"
2217	"3 - Radial distribution peaks"
2218	"4 - Power series in Q**2n/n!"
2219	"5 - Power series in n!/Q**2n"
2220	"6 - Power series in Q2n/n! and n!/Q2n"
2221	"7 - Linear interpolation function"
2222	"8 - Reciprocal interpolation function"
2223	} {
2224	set val [lindex $item 0]
2225	$typemenu insert end radiobutton -variable expgui(backtype) \
2226	-label $item -value $val
2227	}
2228
2229	grid $w.0.type -row 1 -column 1
2230	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2231
2232	# function type
2233	set expgui(backterms) [histinfo $hist backterms]
2234	set expgui(orig_backterms) $expgui(backterms)
2235	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2236	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2237	grid $w.0.terms -row 1 -column 3
2238	# enable traces on expgui(backtype) & expgui(backterms) now
2239	set entrycmd(trace) 1
2240
2241	#set background terms
2242	for {set num 1 } { $num <= 36 } { incr num } {
2243	set var "bterm$num"
2244	set expgui($var) {}
2245	set expgui(orig_$var) {}
2246	}
2247	if {[llength $histlist] == 1} {
2248	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2249	set var "bterm$num"
2250	set expgui($var) [histinfo $histlist $var]
2251	set expgui(orig_$var) $expgui($var)
2252	}
2253	}
2254
2255	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2256	-expand yes -fill both
2257	ShowBackTerms $w.1
2258
2259	set expgui(temp) {}
2260	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2261	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2262	grid [button $w.b.3 -text Quit \
2263	-command "QuitEditBackground $w"] -row 0 -column 2
2264	grid [button $w.b.help -text Help -bg yellow \
2265	-command "MakeWWWHelp expgui3.html EditBackground"] \
2266	-row 0 -column 4
2267	grid columnconfig $w.b 0 -weight 1
2268	grid columnconfig $w.b 3 -weight 1
2269	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2270	bind $w <Return> "destroy $w"
2271
2272	# force the window to stay on top
2273	putontop $w
2274
2275	focus $w.b.2
2276	tkwait window $w
2277	afterputontop
2278
2279	if {$expgui(temp) != ""} return
2280
2281	if {$expgui(orig_backtype) != $expgui(backtype)} {
2282	histinfo $histlist backtype set $expgui(backtype)
2283	incr expgui(changed)
2284	}
2285	if {$expgui(orig_backterms) != $expgui(backterms)} {
2286	histinfo $histlist backterms set $expgui(backterms)
2287	incr expgui(changed)
2288	}
2289	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2290	set var "bterm$num"
2291	if {$expgui(orig_$var) != $expgui($var)} {
2292	histinfo $histlist $var set $expgui($var)
2293	incr expgui(changed)
2294	}
2295	}
2296
2297	if {$expgui(globalmode) == 0} {
2298	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2299	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2300	}
2301	}
2302
2303	trace variable expgui(backterms) w ChangeBackTerms
2304	proc ChangeBackTerms {a b c} {
2305	global entrycmd expgui
2306	if !$entrycmd(trace) return
2307	ShowBackTerms .back.1
2308	}
2309
2310	trace variable expgui(backtype) w ChangeBackType
2311	# reset the terms to 1, 0, 0... when the number of terms increase
2312	proc ChangeBackType {a b c} {
2313	global entrycmd expgui
2314	if !$entrycmd(trace) return
2315	if {$expgui(prev_backtype) == $expgui(backtype)} return
2316	set expgui(prev_backtype) $expgui(backtype)
2317	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2318	set var "bterm$num"
2319	if {$num == 1} {
2320	set expgui($var) 1.0
2321	} else {
2322	set expgui($var) 0.0
2323	}
2324	}
2325	}
2326
2327	proc ShowBackTerms {w } {
2328	global expgui expmap
2329	# destroy the contents of the frame
2330	eval destroy [winfo children $w]
2331	set histlist {}
2332	foreach n $expgui(curhist) {
2333	lappend histlist [lindex $expmap(powderlist) $n]
2334	}
2335	set widgetsPerRow 4
2336	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2337	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2338	set var "bterm$num"
2339	grid [label $w.l$num -text $num -bg beige] \
2340	-row $rows -column $cols -sticky nes
2341	incr cols
2342	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2343	] -row $rows -column $cols -sticky news
2344	incr cols
2345	}
2346	}
2347	}
2348
2349	proc QuitEditBackground {w} {
2350	global expgui
2351	# lets find out if anything changed
2352	set changed 0
2353	if {$expgui(orig_backtype) != $expgui(backtype)} {
2354	set changed 1
2355	}
2356	if {$expgui(orig_backterms) != $expgui(backterms)} {
2357	set changed 1
2358	}
2359	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2360	set var "bterm$num"
2361	if {$expgui(orig_$var) != $expgui($var)} {
2362	set changed 1
2363	break
2364	}
2365	}
2366	if $changed {
2367	set decision [tk_dialog .changes "Abandon Changes" \
2368	"You have made changes to the background. Ok to abandon changes?" \
2369	warning 0 Abandon Keep]
2370	if !$decision {
2371	set expgui(temp) "Quit"
2372	destroy $w
2373	}
2374	} else {
2375	set expgui(temp) "Quit"
2376	destroy $w
2377	}
2378	}
2379
2380	# this probably needs work
2381	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2382	global expgui expmap
2383	set w .global
2384	catch {destroy $w}
2385	toplevel $w -bg beige
2386	wm title $w "Edit Global Parameter"
2387	set expgui(temp) {}
2388	if {[llength $histlist] == 0} {
2389	set hist {}
2390	foreach n $expgui(curhist) {
2391	lappend hist [lindex $expmap(powderlist) $n]
2392	}
2393	} else {
2394	set hist $histlist
2395	}
2396	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2397	-side top -expand yes -fill both
2398	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2399	-bg beige] \
2400	-row 0 -column 0 -columnspan 10
2401	grid [entry $w.0.b -textvariable expgui(temp)] \
2402	-row 1 -column 0
2403
2404
2405	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2406	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2407	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2408	pack [button $w.b.help -text Help -bg yellow \
2409	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2410	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2411	bind $w <Return> "destroy $w"
2412
2413	# force the window to stay on top
2414	putontop $w
2415	focus $w.b.2
2416	tkwait window $w
2417	afterputontop
2418
2419	if {$expgui(temp) != ""} {
2420	foreach h $hist {
2421	if {$cmd == "histinfo"} {
2422	histinfo $h $variable set $expgui(temp)
2423	incr expgui(changed)
2424	if $expgui(debug) {
2425	puts "histinfo $h $variable set $expgui(temp)"
2426	}
2427	} elseif {$cmd == "hapinfo"} {
2428	hapinfo $h $phase $variable set $expgui(temp)
2429	incr expgui(changed)
2430	if $expgui(debug) {
2431	puts "hapinfo $phase $h $variable set $expgui(temp)"
2432	}
2433	} else {
2434	error "$cmd unimplemented"
2435	}
2436	}
2437	}
2438	}
2439
2440	proc EditProfile {title histlist phaselist} {
2441	global expgui expmap entrycmd
2442	set w .back
2443	catch {destroy $w}
2444	toplevel $w -bg beige
2445	wm title $w "Global Edit Profile"
2446	set hist [lindex $histlist 0]
2447	set phase [lindex $phaselist 0]
2448	set ptype [string trim [hapinfo $hist $phase proftype]]
2449	set htype [string range $expmap(htype_$hist) 2 2]
2450	set nterms [hapinfo $hist $phase profterms]
2451
2452	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2453	] -side top -expand yes -fill both
2454	grid [label $w.0.a \
2455	-text "Setting profile terms: $title" \
2456	-bg beige] -row 0 -column 0 -columnspan 10
2457	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2458	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2459	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2460	set entrylist {}
2461	lappend entrylist "pcut $w.0.d"
2462
2463	set col -1
2464	set row 1
2465	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2466	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2467	] -side top -expand yes -fill both
2468	for { set num 1 } { $num <= $nterms } { incr num } {
2469	set term {}
2470	catch {set term [lindex $lbls $num]}
2471	if {$term == ""} {set term $num}
2472	incr col
2473	grid [label $w.1.l${num} -text "$term" -bg beige] \
2474	-row $row -column $col
2475	incr col
2476	grid [entry $w.1.ent${num} \
2477	-width 14] -row $row -column $col
2478	lappend entrylist "pterm$num $w.1.ent${num}"
2479	if {$col > 6} {set col -1; incr row}
2480	}
2481	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2482	grid [button $w.b.2 -text Set \
2483	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2484	[list $histlist] $w"] -row 0 -column 1
2485	grid [button $w.b.3 -text Quit \
2486	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2487	grid [button $w.b.help -text Help -bg yellow \
2488	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2489	-row 0 -column 4
2490	grid columnconfig $w.b 0 -weight 1
2491	grid columnconfig $w.b 3 -weight 1
2492	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2493	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2494
2495	# force the window to stay on top
2496	putontop $w
2497	focus $w.b.2
2498	tkwait window $w
2499	afterputontop
2500	}
2501
2502	proc SetEditProfile {entrylist phaselist histlist w} {
2503	global expgui
2504	foreach item $entrylist {
2505	set value [ [lindex $item 1] get ]
2506	if {$value != ""} {
2507	hapinfo $histlist $phaselist [lindex $item 0] set $value
2508	incr expgui(changed)
2509	if $expgui(debug) {
2510	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2511	}
2512	}
2513	}
2514	destroy $w
2515	}
2516
2517	proc QuitEditProfile {w entrylist} {
2518	global expgui
2519	# lets find out if anything changed
2520	set changed 0
2521	foreach item $entrylist {
2522	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2523	}
2524	if $changed {
2525	set decision [tk_dialog .changes "Abandon Changes" \
2526	"You have made changes to the Profile. Ok to abandon changes?" \
2527	warning 0 Abandon Keep]
2528	if !$decision {destroy $w}
2529	} else {
2530	destroy $w
2531	}
2532	}
2533
2534	##############################################################################
2535	## #############################################
2536	## END OF THE PROCEDURES SECTION #############################################
2537	## #############################################
2538	##############################################################################
2539
2540	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2541	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2542	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2543	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2544	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2545	# A frame for menu items at top of display
2546	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2547	# Pack the menu frame.
2548	pack $expgui(fm) -fill x -side top -anchor n
2549
2550	# create a button bar
2551	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2552
2553	# Creating the notebook and panes
2554
2555	# create an array element describing each notebook page (used with BW only)
2556	# element 0 -- pane name
2557	# 1 -- Label on frame
2558	# 2 -- initialization command
2559	# 3 -- update command
2560	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2561	# are selected in global mode, 0 otherwise
2562	# 5 -- Web page for pane
2563	# 6 -- name anchor on Web page for pane
2564	set expgui(notebookpagelist) {
2565	{lsFrame "LS Controls" \
2566	"" \
2567	SetupExtractHist \
2568	0 expgui1.html ""}
2569	{phaseFrame Phase \
2570	"" \
2571	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2572	0 expgui2.html ""}
2573	{histFrame Histogram \
2574	MakeHistPane \
2575	DisplayHistogram \
2576	1 expgui3.html ""}
2577	{fracFrame Scaling \
2578	MakeScalingPane \
2579	DisplayFrac \
2580	0 expgui4.html ""}
2581	{profFrame Profile \
2582	MakeProfilePane \
2583	DisplayProfile \
2584	1 expgui5.html ""}
2585	{consFrame Constraints \
2586	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2587	DisplayConstraintsPane \
2588	0 expgui6.html ""}
2589	{orientFrame "MD Pref Orient" \
2590	MakeOrientPane \
2591	DisplayOrient \
2592	0 expgui7.html MD}
2593	{odfFrame "SH Pref Orient" \
2594	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2595	DisplayODFPane \
2596	0 expgui7.html ODF}
2597	}
2598
2599	if $expgui(haveBW) {
2600	pack [NoteBook .n -bd 2] -expand yes -fill both
2601	foreach item $expgui(notebookpagelist) {
2602	set frm [lindex $item 0]
2603	set expgui($frm) [\
2604	.n insert end $frm -text [lindex $item 1] \
2605	-createcmd [lindex $item 2] \
2606	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2607
2608	# at this time expgui(frameactionlist) is generated
2609	# from expgui(notebookpagelist), but in the future it might
2610	# make sense to use expgui(notebookpagelist) directly
2611	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2612
2613	# panes to disable in global "all" mode
2614	if {[lindex $item 4]} {
2615	lappend expgui(GlobalModeAllDisable) \
2616	"$frm \{.n itemconfigure $frm\}"
2617	}
2618	}
2619	} else {
2620	Notebook:create .n \
2621	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2622	pack .n -anchor w -fill both -expand yes
2623	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2624	orientFrame} \
2625	page {"LS Controls" Phase Histogram Scaling Profile \
2626	"MD Pref Orient"} {
2627	set expgui($item) [Notebook:frame .n $item]
2628	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2629	}
2630	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2631	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2632	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2633	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2634	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2635	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2636	set expgui(GlobalModeAllDisable) {}
2637	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2638	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2639	}
2640
2641	# this is used to bring up the selected frame
2642	proc RaisePage {nextpage} {
2643	global expgui
2644	if $expgui(haveBW) {
2645	.n see $nextpage
2646	.n raise $nextpage
2647	set expgui(pagenow) $nextpage
2648	} else {
2649	Notebook:raise .n $nextpage
2650	InitPage $nextpage
2651	}
2652	}
2653	# this is only called when BWidget is not in use
2654	proc InitPage {nextpage} {
2655	global expgui
2656	set expgui(pagenow) $nextpage
2657	UpdateCurrentPage
2658	}
2659	# resize the notebook to fit all the tabs and the largest page
2660	proc ResizeNotebook {} {
2661	global expgui
2662	if {$expgui(haveBW)} {
2663	.n compute_size
2664	} else {
2665	Notebook:resize .n
2666	}
2667	}
2668
2669	#----------------------------------------------------------------------------
2670	proc MakePhasePane {} {
2671	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2672	global expgui entryvar entrybox entrycmd
2673	frame $expgui(phaseFrame).top
2674	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2675	# This is a big frame in the Phase notebook pane to hold atomic data.
2676	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2677	-relief raised -borderwidth 4]
2678	# This is a frame just below the big frame: for edits
2679	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2680	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2681
2682	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2683	grid $frameLatt -sticky news -row 2 -column 0
2684	grid $fbig -sticky news -row 3 -column 0
2685	# give extra space to the atoms box
2686	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2687	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2688	grid $frame3 -sticky news -row 4 -column 0
2689	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2690	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2691	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2692	# this is where the buttons will go
2693	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2694
2695	grid [label $expgui(phaseFrame).top.lA -text title: \
2696	-fg blue ] -column 1 -row 0 -sticky e
2697	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2698	-fg blue -width 45] -column 2 -row 0 -sticky e
2699	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2700	# ------------- Lattice Parameter Box ------------------
2701	set row 0
2702	foreach col {2 4 6} var {a b c} lbl {a b c} {
2703	grid [label $frameLatt.l$var -text $lbl] \
2704	-column $col -row $row -padx 5 -sticky e
2705	incr col
2706	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2707	-column $col -row $row -padx 5
2708	set entrybox($var) $frameLatt.e$var
2709	}
2710	incr row
2711	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2712	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2713	-column $col -row $row -padx 5 -sticky e
2714	incr col
2715	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2716	-column $col -row $row -padx 5
2717	set entrybox($var) $frameLatt.e$var
2718	}
2719
2720	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2721	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2722	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2723	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2724	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2725	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2726	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2727	-column 1 -row 0 -rowspan 2
2728	if [file executable $expgui(exptool)] {
2729	grid [button $expgui(phaseFrame).frameLatt.newp \
2730	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
2731	] -column 0 -row 0 -rowspan 2 -sticky w
2732	}
2733	grid columnconfig $frameLatt 1 -weight 1
2734	grid columnconfig $frameLatt 0 -weight 1
2735	#-------------- Begin Atom Coordinates Box ------------------------------
2736	grid [listbox $fbig.title -height 1 -relief flat \
2737	-exportselection 0 -bg lightgrey -fg black \
2738	-selectforeground black -selectbackground lightgrey] \
2739	-row 0 -column 0 -sticky ew
2740	set expgui(atomtitle) $fbig.title
2741	bind $expgui(atomtitle) <Button-1> {
2742	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2743	incr i
2744	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2745	DisplayAllAtoms
2746	}
2747	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2748
2749	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2750	grid [listbox $fbig.lbox -height 10 \
2751	-exportselection 0 \
2752	-xscrollcommand " $fbig.bscr set"\
2753	-yscrollcommand " $fbig.rscr set"\
2754	] -row 1 -column 0 -sticky news
2755	set expgui(atomlistbox) $fbig.lbox
2756	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2757	grid [scrollbar $fbig.bscr -orient horizontal \
2758	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2759	] -row 2 -column 0 -sticky ew
2760	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2761	] -row 1 -column 1 -sticky ns
2762	# give extra space to the atoms box
2763	grid columnconfigure $fbig 0 -weight 1
2764	grid rowconfigure $fbig 1 -weight 1
2765
2766	# BIND mouse in editbox
2767	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2768	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2769
2770	#-------------- End Atoms Section ---------------------------------
2771
2772	# --------------------------- Begin Edit Box ------------------------
2773	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2774	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2775	if [file executable $expgui(exptool)] {
2776	button $frame3.newa -text "Add New Atoms" \
2777	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2778	-command {MakeAddAtomsBox $expgui(curPhase)}
2779	grid $frame3.newa -column 11 -row 0
2780	}
2781	button [set expgui(atomxform) $frame3.xa] \
2782	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2783	-command {MakeXformAtomsBox $expgui(curPhase)}
2784	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2785
2786	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2787	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2788	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2789	grid [checkbutton $frame3.cf$col \
2790	-text $lbl -variable entryvar($var) \
2791	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2792	-activebackground $expgui(bkgcolor1)] \
2793	-column $col -row 1 -padx 4 -pady 3 -sticky w
2794	}
2795	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
2796	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2797
2798	set col 4
2799	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2800	grid [label $frame3.lom$num -text $lbl \
2801	-bg $expgui(bkgcolor1)] \
2802	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2803	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2804	$frame3.om$num config -highlightthickness 0
2805	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2806	}
2807	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2808	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2809
2810	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2811	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2812
2813	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2814	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2815	set expgui(atomlabels) $f3l1
2816
2817	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2818	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2819	set expgui(atomentry) $f3e1
2820
2821	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2822	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2823	lappend expgui(atomlabels) $f3l8
2824	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2825	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2826	lappend expgui(atomlabels) $f3l11
2827
2828	foreach var {x y z frac} col {3 4 5 7} {
2829	set entrybox($var) [entry $frame3.coords.e$var \
2830	-textvariable entryvar($var) -width 10]
2831	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2832	lappend expgui(atomentry) $entrybox($var)
2833	}
2834
2835
2836	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2837	grid $f3f31 -column 0 -row 7 -columnspan 12
2838	set expgui(anisolabels) {}
2839	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2840	lappend expgui(anisolabels) [\
2841	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2842	]
2843	}
2844	set expgui(anisoentry) {}
2845	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2846	lappend expgui(anisoentry) [\
2847	entry $f3f31.$i -textvariable entryvar($var) \
2848	-width 10]
2849	set entrybox($var) $f3f31.$i
2850	}
2851
2852	set col 0
2853	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2854	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2855	incr col
2856	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2857	incr col
2858	}
2859	# --------------------------- End Edit Box -------------------------
2860
2861	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2862	# resize in case the pane needs more space
2863	ResizeNotebook
2864	}
2865
2866	proc move2boxes {boxlist args} {
2867	foreach listbox $boxlist {
2868	eval $listbox xview $args
2869	}
2870	}
2871	#-----------------------------------------------------------------------------
2872	proc MakeHistPane {} {
2873	#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
2874	global expgui
2875
2876	grid columnconfigure $expgui(histFrame) 0 -weight 1
2877	grid rowconfigure $expgui(histFrame) 1 -weight 1
2878	grid rowconfigure $expgui(histFrame) 2 -weight 1
2879	grid rowconfigure $expgui(histFrame) 3 -weight 1
2880
2881	grid [frame $expgui(histFrame).hs] \
2882	-column 0 -row 0 -rowspan 10 -sticky nsew
2883	MakeHistBox $expgui(histFrame).hs
2884	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2885	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2886	DisplayHistogram
2887	}
2888	bind $expgui(histFrame).hs.lbox <Button-3> {
2889	if $expgui(globalmode) {
2890	$expgui(histFrame).hs.lbox selection set 0 end
2891	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2892	DisplayHistogram
2893	}
2894	}
2895
2896	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2897	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2898	if $expgui(haveBW) {
2899	foreach item {backBox diffBox} num {2 3} \
2900	title {Background "Diffractometer Constants"} {
2901	TitleFrame $expgui(histFrame).$item \
2902	-borderwidth 4 -side left -relief groove -text $title
2903	set expgui($item) [$expgui(histFrame).$item getframe]
2904	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2905	grid rowconfigure $expgui(histFrame) $num -minsize 100
2906	}
2907	} else {
2908	foreach item {backBox diffBox} num {1 2} \
2909	title {Background "Diffractometer Constants"} {
2910	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2911	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2912	set expgui($item) $expgui(histFrame).$item
2913	grid [label $expgui(histFrame).$item.title -text $title] \
2914	-row 0 -column 0 -columnspan 10 -sticky nw
2915	}
2916	}
2917	if [file executable $expgui(exptool)] {
2918	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2919	grid $expgui(histFrame).newh -column 1 -row 6
2920	}
2921
2922	# BACKGROUND information.
2923	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2924	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2925	grid [label $expgui(backBox).frm1.lBGType \
2926	-textvariable expgui(backtypelbl)] \
2927	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2928	grid [label $expgui(backBox).frm1.lBGTerms \
2929	-textvariable expgui(backtermlbl)] \
2930	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2931	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2932	-command editbackground] \
2933	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2934	grid [frame $expgui(backBox).frm2 ] \
2935	-row 1 -column 0 -columnspan 11 -sticky e
2936	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2937	-row 2 -column 1 -sticky news -padx 4 -pady 3
2938	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2939	-variable entryvar(bref) ] \
2940	-row 2 -column 2 -sticky news -padx 4 -pady 3
2941	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2942	-row 2 -column 3 -sticky w -padx 2 -pady 3
2943	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2944	grid $expgui(backBox).frm2.om \
2945	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2946	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2947	# insert the histograms & resize in case the pane needs more space
2948	sethistlist
2949	ResizeNotebook
2950	}
2951	###############################################################################
2952	proc MakeScalingPane {} {
2953	#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
2954	global expgui entryvar entrybox
2955
2956	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2957	MakeHistBox $expgui(fracFrame).hs
2958	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2959	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2960	DisplayFrac
2961	}
2962	bind $expgui(fracFrame).hs.lbox <Button-3> {
2963	if $expgui(globalmode) {
2964	$expgui(fracFrame).hs.lbox selection set 0 end
2965	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2966	DisplayFrac
2967	}
2968	}
2969
2970	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2971	# Create a large canvas area containing a frame for each phase in the data set.
2972	# The canvas and vertical scrollbar are inside a frame called f1
2973	if $expgui(haveBW) {
2974	TitleFrame $expgui(fracFrame).f1.scaleBox \
2975	-borderwidth 4 -text "Scale Factor"
2976	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2977	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2978	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2979	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2980	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2981	} else {
2982	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2983	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2984	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2985	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2986	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2987	}
2988	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2989	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2990	set entrybox(scale) $expgui(scaleBox).ent1
2991
2992	button $expgui(scaleBox).but1 -text "Set Globally" \
2993	-command "editglobalparm histinfo scale {Scale Factor}"
2994
2995	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2996	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2997	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2998	-row 1 -column 3 -sticky news -padx 4 -pady 3
2999	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3000	-row 1 -column 4 -sticky w -padx 2 -pady 3
3001	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3002	grid $expgui(scaleBox).om \
3003	-row 1 -column 5 -sticky news -padx 4 -pady 3
3004	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3005
3006	if $expgui(haveBW) {
3007	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3008	-text "Phase Fractions" -relief groove] \
3009	-sticky news -row 1 -column 0 -columnspan 2
3010	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3011	} else {
3012	set PhaseFractBox $expgui(fracFrame).f1
3013	}
3014	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3015	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3016
3017	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3018	-scrollregion {0 0 5000 500} \
3019	-yscrollcommand "$PhaseFractBox.yscroll set" \
3020	-width 500 -height 350 -bg lightgrey]] \
3021	-sticky news -row 1 -column 0
3022	grid [scrollbar $PhaseFractBox.yscroll \
3023	-command "$expgui(FracBox) yview" \
3024	-orient vertical] \
3025	-sticky ns -row 1 -column 1
3026	frame $expgui(FracBox).f -bd 0
3027	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3028
3029	# the rest of the page is created in DisplayFrac
3030
3031	# insert the histograms & resize in case the pane needs more space
3032	sethistlist
3033	ResizeNotebook
3034	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3035	}
3036	###############################################################################
3037	proc MakeProfilePane {} {
3038	global expgui
3039	# 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
3040	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
3041	MakeHistBox $expgui(profFrame).hs
3042	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3043	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3044	DisplayProfile
3045	}
3046	bind $expgui(profFrame).hs.lbox <Button-3> {
3047	if $expgui(globalmode) {
3048	$expgui(profFrame).hs.lbox selection set 0 end
3049	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3050	DisplayProfile
3051	}
3052	}
3053
3054	# Create a large canvas area containing a frame for each phase in the data set.
3055	# The canvas and vertical scrollbar are inside a frame called f1
3056	pack [frame $expgui(profFrame).f1] -fill both -expand true
3057	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3058	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3059	-sticky news -row 0 -column 0
3060	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3061	-sticky ns -row 0 -column 1
3062
3063	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3064	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3065
3066	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3067	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3068	frame $expgui(ProfileBox).f -bd 0
3069	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3070
3071	# insert the histograms & resize in case the pane needs more space
3072	sethistlist
3073	ResizeNotebook
3074	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3075	}
3076
3077	##############################################################################
3078	# 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
3079	array set printopts {
3080	0 "Print the reciprocal metric tensor changes"
3081	1 "Print the correlation matrix"
3082	2 "Print the Least-Squares matrices and vectors"
3083	4 "Print the linear constraint matrices"
3084	5 "Print the applied shifts and shift factors"
3085	6 "Print the reciprocal metric tensor Var-Covar terms"
3086	7 "Print all parameters for each cycle"
3087	8 "Print summary shift/esd data after last cycle"
3088	9 "Print zero/unit pole figure constraint terms"
3089	}
3090	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3091	MakeHistBox $expgui(lsFrame).hs
3092	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3093	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3094	SetupExtractHist
3095	}
3096	bind $expgui(lsFrame).hs.lbox <Button-3> {
3097	if $expgui(globalmode) {
3098	$expgui(lsFrame).hs.lbox selection set 0 end
3099	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3100	SetupExtractHist
3101	}
3102	}
3103
3104	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3105	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3106	set row 0
3107	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3108	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3109	-textvariable expgui(last_History)] \
3110	-row $row -column 1 -columnspan 5 -sticky w
3111	incr row
3112	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3113	grid [entry $expgui(lsFrame).f1.tit2 \
3114	-textvariable entryvar(title) -width 48] \
3115	-row $row -column 1 -columnspan 5 -sticky w
3116	set entrycmd(title) "expinfo title"
3117
3118	incr row
3119	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3120	-row $row -column 0 -columnspan 2 -pady 3
3121	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3122	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3123	-textvariable entryvar(cycles)] -row 0 -column 1
3124	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3125	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3126	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3127	] -row $row -column 2
3128	menu $expgui(lsFrame).f1.lprint.menu
3129	foreach num [lsort [array names printopts]] {
3130	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3131	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3132	-variable entryvar(printopt$num)
3133	}
3134	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3135	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3136	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3137	incr row
3138	if {$expgui(haveBW)} {
3139	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3140	-text "Reflection Intensity Extraction" \
3141	] -row $row -column 0 -columnspan 6
3142	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3143	} else {
3144	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3145	] -row $row -column 0 -columnspan 6
3146	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3147	}
3148	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3149	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3150	-row 0 -column 8 -columnspan 3 -sticky e
3151	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3152	-row 0 -column 2
3153	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3154	-variable entryvar(fobsextract)] -row 0 -column 3
3155	foreach num {1 2 3 4 5 6 7 8 9} {
3156	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3157	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3158	-command "HistExtractSet $num" \
3159	-variable expgui(Fextract$num) -value 0] \
3160	-row 2 -column $num
3161	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3162	-command "HistExtractSet $num" \
3163	-variable expgui(Fextract$num) -value 1] \
3164	-row 3 -column $num
3165	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3166	-command "HistExtractSet $num" \
3167	-variable expgui(Fextract$num) -value 2] \
3168	-row 4 -column $num
3169	}
3170	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3171	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3172	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3173
3174	grid [label $expgui(FobsExtractFrame).t \
3175	-text "Extraction\nMethod" -anchor c] \
3176	-column 0 -row 0 -rowspan 2 -sticky s
3177	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3178	-column 1 -row 0 -columnspan 7 -sticky sw
3179	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3180	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3181	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3182	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3183	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3184	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3185	#-------------------------------------------------------------------------
3186	#-------------------------------------------------------------------------
3187	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3188
3189	#---- file menu button
3190	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3191	menu $expgui(fm).file.menu
3192	if $expgui(debug) {
3193	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3194	}
3195	if {$expgui(shell)} {
3196	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3197	}
3198	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3199	-command savearchiveexp
3200	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3201	$expgui(fm).file.menu add command -label "Save As" \
3202	-command "SaveAsFile"
3203	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3204	-command {rereadexp $expgui(expfile)}
3205
3206	#---- help menu button
3207	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3208	menu $expgui(fm).help.menu
3209	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3210	-label "Help Summary"
3211	$expgui(fm).help.menu add command -command MakeWWWHelp \
3212	-label "Help on current pane"
3213	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
3214	-label "Help on menu"
3215	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3216	# define help actions
3217	bind . <Key-F1> MakeWWWHelp
3218	$expgui(fm).help.menu add command -label "About..." -command About
3219
3220	#---- options menu button
3221	menubutton $expgui(fm).option -text Options \
3222	-menu $expgui(fm).option.menu
3223	menu $expgui(fm).option.menu
3224
3225	if {$expgui(shell)} {
3226	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3227	-variable expgui(archive)
3228	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3229	-variable expgui(disaglSeparateBox)
3230	}
3231	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3232	-label "Sort atoms by"
3233
3234	set expgui(asorttype) number
3235	menu $expgui(fm).option.menu.asort
3236	foreach opt {number type mult x y z occupancy} {
3237	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3238	-label $opt -value $opt -variable expgui(asorttype)
3239	}
3240
3241	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3242	-label "Sort histograms by"
3243
3244	set expgui(hsorttype) number
3245	menu $expgui(fm).option.menu.hsort
3246	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3247	-label number -value number -variable expgui(hsorttype)
3248	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3249	-label "Histogram type" -value type -variable expgui(hsorttype)
3250	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3251	-label "Bank #" -value bank -variable expgui(hsorttype)
3252	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3253	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3254
3255	#---- Global mode menu button
3256	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3257	-label "Multiple hist. selection"
3258	menu $expgui(fm).option.menu.editmode
3259	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3260	-variable expgui(globalmode) -value 0 \
3261	-command sethistlist
3262	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3263	-variable expgui(globalmode) -value 6 \
3264	-command sethistlist
3265	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3266	-variable expgui(globalmode) -value 1 \
3267	-command sethistlist
3268	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3269	-variable expgui(globalmode) -value 2 \
3270	-command sethistlist
3271	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3272	-variable expgui(globalmode) -value 3 \
3273	-command sethistlist
3274	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3275	-variable expgui(globalmode) -value 4 \
3276	-command sethistlist
3277	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3278	-variable expgui(globalmode) -value 5 \
3279	-command sethistlist
3280	$expgui(fm).option.menu.editmode add separator
3281	$expgui(fm).option.menu.editmode add checkbutton \
3282	-label "Group phases together" \
3283	-variable expgui(globalphasemode) \
3284	-command sethistlist
3285
3286	set expgui(globalmode) 0
3287	set expgui(globalphasemode) 1
3288
3289	if {$tcl_platform(platform) == "unix"} {
3290	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3291	-variable env(GSASBACKSPACE)
3292	if {$expgui(shell)} {
3293	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3294	-variable expgui(autoexpload)
3295	}
3296	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
3297	-variable expgui(showexptool)
3298	}
3299
3300	$expgui(fm).option.menu add command -label "Save Options" \
3301	-command "SaveOptions"
3302
3303	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3304
3305	if {$expgui(shell)} {
3306	foreach menu $expgui(menunames) {
3307	set m [string tolower $menu]
3308	pack [menubutton $expgui(fm).$m -text $menu \
3309	-menu $expgui(fm).$m.menu] -side left
3310	menu $expgui(fm).$m.menu
3311	}
3312	}
3313	pack $expgui(fm).help -side right -in $expgui(fm)
3314
3315	if {$expgui(shell)} {
3316	# add the commands in expgui_menulist
3317	foreach menu [array names expgui_menulist ] {
3318	foreach cmd $expgui_menulist($menu) {
3319	set action {}
3320	set opt {}
3321	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3322	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3323	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3324	if {$action != "" && $action != "-"} {
3325	eval $expgui(fm).$menu.menu add command \
3326	-label $cmd $opt -command [list [subst $action]]
3327	if {[lindex $opt 0] == "-underline"} {
3328	catch {
3329	set num [lindex $opt 1]
3330	set key [string range $cmd $num $num]
3331	bind . <Alt-[string tolower $key]> [subst $action]
3332	bind . <Alt-[string toupper $key]> [subst $action]
3333	}
3334	}
3335	}
3336	}
3337	}
3338	}
3339	# setup command help
3340	foreach cmd [array names expgui_cmdlist] {
3341	set help {}
3342	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3343	if {$help == ""} {
3344	if {$expgui(debug)} {puts "no help for $cmd"}
3345	} else {
3346	# remove
3347	regsub -all \x09 $help " " help
3348	# preserve blank lines
3349	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3350	regsub -all \x0A $help " " help
3351	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3352	regsub -all " +" $help " " help
3353	set expgui_helplist($cmd) [string trim $help]
3354	}
3355	}
3356	if {$expgui(shell)} {
3357	# set up button bar
3358	foreach cmd $expgui(buttonlist) {
3359	set action {}
3360	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3361	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3362	if {$action != ""} {
3363	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3364	-text $cmd -command [list [subst $action]]] -side left
3365	}
3366	}
3367	}
3368
3369	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3370	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3371	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3372
3373	# make the phase pane
3374	MakePhasePane
3375	# and the rest of the windows w/o BWidget
3376	if !$expgui(haveBW) {
3377	MakeHistPane
3378	MakeScalingPane
3379	MakeProfilePane
3380	}
3381
3382	# handle indirect exits
3383	wm protocol . WM_DELETE_WINDOW catchQuit
3384	bind . <Control-c> catchQuit
3385
3386	set expgui(curPhase) ""
3387	set expgui(pagenow) ""
3388	set expgui(curhist) {}
3389	set expgui(selectedatomlist) {}
3390
3391	loadexp $expgui(expfile)
3392
3393	# select the 1st phase
3394	SelectOnePhase [lindex $expmap(phaselist) 0]
3395	# select the first histogram in the list by default (if there are any)
3396	if {[llength $expmap(histlistboxcontents)] > 0} {
3397	set expgui(curhist) 0
3398	} else {
3399	set expgui(curhist) {}
3400	}
3401
3402	# execute any local commands for final initialization
3403	eval $expgui(initstring)
3404
3405	# resize the notebook to fit all the tabs and the largest page
3406	ResizeNotebook
3407
3408	RaisePage lsFrame
3409	if {[CountHistory] > 100} {
3410	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3411	}

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