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source: trunk/expgui @ 93

Last change on this file since 93 was 93, checked in by toby, 14 years ago
# on 1999/07/21 16:32:11, toby did: add autoload mode add support for adding phases, histograms and atoms reset expmap when loading a new .EXP file use putontop and afterputontop change alpha, beta & gamma to greek letters
Property rcs:author set to `toby` Property rcs:date set to `1999/07/21 16:32:11` Property rcs:lines set to `+57 -92` Property rcs:rev set to `1.16` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 107.8 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 93 2009-12-04 23:00:17Z toby $
3	set expgui(Revision) {$Revision: 93 $ $Date: 2009-12-04 23:00:17 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from
9	#
10	# fixup documentation and you are done!
11	#
12	# global background editing & profile work differently: should both
13	# start out blank with a "load from option"?
14	#
15	# idea:
16	# a scroll list for all histogram refinement flags ; click on takes you to the
17	# appropriate menu.
18	#
19	# idea:
20	# change cell parameters to labels and have a edit cell button
21	# that enforces metric symmetry
22	#
23	# to allow "global" access on phase page
24	# change buttons from radio to multiple
25	# -- or display all 9 cell flag/damps and all atoms
26	# make editMultipleRecords work with multiple phases, also cell flag/damp
27	# blank cell entries
28	# add phase to atom number in listing
29	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
30
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	if {[file dirname $expgui(expfile)] == "."} {
43	set expgui(expfile) [string toupper $expgui(expfile)]
44	} else {
45	set expgui(expfile) [file join \
46	[file dirname $expgui(expfile)] \
47	[file tail [string toupper $expgui(expfile)]]
48	]
49	}
50	} else {
51	set expgui(expfile) {}
52	}
53
54	set expgui(debug) 0
55	catch {if $env(DEBUG) {set expgui(debug) 1}}
56	#set expgui(debug) 1
57
58	set expgui(havetix) 1
59	# for debugging non-Tix version set environment variable NOTIX
60	catch {if $env(NOTIX) {set expgui(havetix) 0}}
61	if $expgui(havetix) {
62	if [catch {package require Tix}] {set expgui(havetix) 0}
63	}
64	# default for archive mode = on
65	set expgui(archive) 1
66	# default for autoexec load = off
67	set expgui(autoexpload) 0
68	# save the name of the wish executable
69	set wishshell [info nameofexecutable]
70	# misc constants
71	set expgui(coordfont) "--courier-bold-r-normal--12-"
72	set expgui(histfont) "--courier-bold-r-normal--12-"
73	set liveplot(hst) 1
74	set liveplot(legend) 1
75	set expgui(filesort) 1
76	#=============================================================================
77	# Store names of profile terms.
78	array set expgui {
79	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
80	sig-2 rsca s1ec s2ec }
81	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
82	gam-2 switch ptec stec difc difa zero }
83	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
84	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
85	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
86	rstr rsta rsca eta}
87	prof-C-1 {CW-type U V W asym F1 F2 }
88	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
89	L11 L22 L33 L12 L13 L23 }
90	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
91	L11 L22 L33 L12 L13 L23 }
92	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
93	}
94	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
95	#----------------------------------------------------------------
96	# where are we?
97	set expgui(script) [info script]
98	# translate links -- go six levels deep
99	foreach i {1 2 3 4 5 6} {
100	if {[file type $expgui(script)] == "link"} {
101	set link [file readlink $expgui(script)]
102	if { [file pathtype $link] == "absolute" } {
103	set expgui(script) $link
104	} {
105	set expgui(script) [file dirname $expgui(script)]/$link
106	}
107	} else {
108	break
109	}
110	}
111	# fixup relative paths
112	if {[file pathtype $expgui(script)] == "relative"} {
113	set expgui(script) [file join [pwd] $expgui(script)]
114	}
115	set expgui(scriptdir) [file dirname $expgui(script) ]
116	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
117	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
118	#----------------------------------------------------------------
119	# fetch EXP file processing routines
120	source [file join $expgui(scriptdir) readexp.tcl]
121	# commands for running GSAS programs
122	source [file join $expgui(scriptdir) gsascmds.tcl]
123	# contents of GSAS menus
124	source [file join $expgui(scriptdir) gsasmenu.tcl]
125	# commands for adding phases, histograms & atoms
126	source [file join $expgui(scriptdir) addcmds.tcl]
127	#---------------------------------------------------------------------------
128	# override options with locally defined values
129	if [file exists [file join $expgui(scriptdir) localconfig]] {
130	source [file join $expgui(scriptdir) localconfig]
131	}
132	if [file exists [file join ~ .gsas_config]] {
133	source [file join ~ .gsas_config]
134	}
135	if {$tcl_platform(platform) == "windows"} {
136	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
137	} else {
138	set expgui(exptool) [file join $expgui(gsasexe) exptool]
139	}
140	#---------------------------------------------------------------------------
141	if {$expgui(expfile) != ""} {
142	if ![file exists $expgui(expfile)] {
143	update
144	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
145	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
146	error 0 "Create" "Open other"]
147	if $ans {set expgui(expfile) {}}
148	}
149	}
150	if {$expgui(expfile) == ""} {
151	# center the parent window because the getExpFileName window
152	# will be centered above it.
153	wm withdraw .
154	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
155	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
156	wm geom . +$x+$y
157	wm deiconify .
158	# windows needed this update before when using tk_getOpenFile.
159	# I am not sure it is still needed.
160	update
161	#
162	set expgui(expfile) [getExpFileName old]
163	}
164	if {$expgui(expfile) == ""} exit
165	# you've been warned this .EXP does not exist!
166	if ![file exists $expgui(expfile)] {
167	# create an "empty" exp file
168	createexp $expgui(expfile) \
169	[getstring "title for experiment $expgui(expfile)" 60 0]
170	}
171	catch {cd [string trim [file dirname $expgui(expfile)]]}
172
173	#
174	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
175	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
176	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
177	# load exp file and set up dialogs
178	proc loadexp {expfile} {
179	global expgui expmap entryvar entrycmd
180	global exparray
181	catch {
182	unset exparray
183	}
184	# added 7/21/99 to prevent errors when switching EXP files -- needs testing
185	catch {
186	unset expmap
187	}
188	expload $expfile
189	set expgui(changed) 0
190	mapexp
191	set expgui(expModifiedLast) [file mtime $expfile]
192	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
193	# set the window/icon title
194	wm title . $expfile
195	set expgui(titleunchanged) 1
196	wm iconname . [file tail $expfile]
197
198	# set the number of phases on the phase page
199	setphases
200
201	# disable the "global options" that don't make sense based
202	# on the histograms present
203	foreach num {1 2 3 4 5} {
204	set flag($num) 0
205	}
206	foreach h $expmap(powderlist) {
207	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
208	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
209	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
210	[histinfo $h lam2] != 0.0} {set flag(3) 1}
211	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
212	[histinfo $h lam2] == 0.0} {set flag(4) 1}
213	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
214	}
215	foreach num {1 2 3 4 5} \
216	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
217	"Energy Disp Xray"} {
218	if $flag($num) {
219	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
220	} else {
221	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
222	}
223	}
224	# disable traces on entryvar until we are ready
225	set entrycmd(trace) 0
226
227	# propogate changes on the least squares page
228	set entryvar(cycles) [expinfo cycles]
229	set entrycmd(cycles) "expinfo cycles"
230	set expgui(globalmode) 0
231	set expgui(printopt) "Print Options ([expinfo print])"
232	set entryvar(title) [expinfo title]
233	global printopts
234	foreach num [array names printopts] {
235	set entrycmd(printopt$num) "printsetting $num"
236	set entryvar(printopt$num) [printsetting $num]
237	}
238	# enable traces on entryvar
239	set entrycmd(trace) 1
240	# set fo extaction on LS page
241	SetupExtractHist
242
243	# update the histogram list & the page, if shown
244	sethistlist
245
246	# update the atoms display
247	# DisplayAllAtoms noreset
248	SelectOnePhase $expgui(curPhase)
249
250	# start checking for external changes
251	afterawhile
252	}
253
254	# called to reread the .EXP file
255	proc rereadexp {expfile} {
256	global expgui
257	if $expgui(changed) {
258	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
259	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
260	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
261	switch $decision {
262	0 { savearchiveexp }
263	1 { }
264	2 { return }
265	}
266	}
267	loadexp $expgui(expfile)
268	}
269
270	proc SaveAsFile {} {
271	global expgui
272	set newexpfile [getExpFileName new]
273	if {$newexpfile == ""} return
274	expwrite $newexpfile
275	set expgui(expfile) $newexpfile
276	catch {cd [string trim [file dirname $expgui(expfile)]]}
277	set expgui(changed) 0
278	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
279	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
280	# set the window/icon title
281	wm title . $expgui(expfile)
282	set expgui(titleunchanged) 1
283	wm iconname . [file tail $expgui(expfile)]
284	}
285
286	# called to read a different .EXP file
287	proc readnewexp {} {
288	global expgui expmap
289	if $expgui(changed) {
290	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
291	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
292	{} 0 "Save and read" "Read without Save" "Cancel read command"]
293	switch $decision {
294	0 { savearchiveexp }
295	1 { }
296	2 { return }
297	}
298	}
299	set newexpfile [getExpFileName old]
300	if {$newexpfile == ""} return
301
302	if ![file exists $newexpfile] {
303	# you've been warned this .EXP does not exist!
304	# create an "empty" exp file
305	createexp $newexpfile \
306	[getstring "title for experiment $newexpfile" 60 0]
307	}
308	set expgui(expfile) $newexpfile
309	catch {cd [string trim [file dirname $expgui(expfile)]]}
310	loadexp $expgui(expfile)
311
312	# select the 1st phase
313	SelectOnePhase [lindex $expmap(phaselist) 0]
314	# select the first histogram in the list by default (if there are any)
315	if {[llength $expmap(histlistboxcontents)] > 0} {
316	set expgui(curhist) 0
317	} else {
318	set expgui(curhist) {}
319	}
320	if !$expgui(havetix) {
321	RaisePage lsFrame
322	} else {
323	.n raise lsPane
324	set expgui(pagenow) lsFrame
325	}
326	}
327
328	#------------- set up data read/write layer ----------------------
329	# trace routine on entryvar
330	proc entvartrace {array elem action} {
331	global expgui entrycmd entryvar
332	if !$entrycmd(trace) return
333
334	catch {
335	if {$entrycmd($elem) == ""} return
336	incr expgui(changed)
337	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
338	if {$entrycmd($elem) == ""} return
339	if [catch {
340	eval $entrycmd($elem) set [list $entryvar($elem)]
341	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
342	after idle {DisplayAllAtoms noreset}
343	}
344	} errmsg] {puts "entvartrace error: $errmsg"}
345	}
346	}
347
348	# disable traces on entryvar until we are ready
349	set entrycmd(trace) 0
350	trace variable entryvar w entvartrace
351
352	#
353	#
354	#
355	##############################################################################
356	##### #####################################################
357	##### PROCEDURES SECTION #####################################################
358	##### #####################################################
359	##############################################################################
360	# reset routine is used for debugging
361	proc reset {} {
362	global expgui script argv
363	set script $expgui(script)
364	set argv $expgui(expfile)
365	# remove traces
366	global entryvar
367	foreach cmd [trace vinfo entryvar] {
368	eval trace vdelete entryvar $cmd
369	}
370	global expgui
371	foreach cmd [trace vinfo expgui(backterms)] {
372	eval trace vdelete entryvar $cmd
373	}
374	foreach cmd [trace vinfo expgui(backtype)] {
375	eval trace vdelete entryvar $cmd
376	}
377	foreach a {
378	exparray expmap expgui entryvar entrycmd
379	expgui_menulist expgui_cmdlist expgui_helplist
380	} {
381	global $a
382	catch {unset $a}
383	}
384	foreach w [winfo children .] {
385	destroy $w
386	}
387
388	uplevel #0 {source $script}
389	}
390
391	# save some of the global options in ~/.gsas_config
392	proc SaveOptions {} {
393	global expgui env tcl_platform
394	set fp [open [file join ~ .gsas_config] a]
395	puts $fp "set expgui(archive) $expgui(archive)"
396	puts $fp "set expgui(asorttype) $expgui(asorttype)"
397	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
398	puts $fp "set expgui(filesort) $expgui(filesort)"
399	if {$tcl_platform(platform) != "windows"} {
400	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
401	}
402	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
403	close $fp
404	}
405
406	proc About { } {
407	global expgui expmap
408	tk_dialog .about {About...} \
409	"EXPGUI\n\
410	Jonathan Wasserman and Brian Toby\n\
411	NIST Center for Neutron Research\n\n\
412	1998, Not subject to copyright\n\n\
413	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
414	Generalized Structure Analysis System (GSAS)\n\
415	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
416	" \
417	info 0 OK
418	}
419
420	# wait until idle
421	proc afterawhile {} {
422	# cancel any other instances of this loop
423	after cancel afterawhile
424	after cancel whenidle
425	after cancel whenidle
426	after idle whenidle
427	}
428
429	proc whenidle {} {
430	global expgui
431	if $expgui(titleunchanged) {
432	if {$expgui(changed) != 0} {
433	wm title . "$expgui(expfile) (modified)"
434	set expgui(titleunchanged) 0
435	}
436	}
437	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast) && \
438	$expgui(expModifiedLast) != 0} {
439	if {$expgui(changed) == 0} {
440	set ans [tk_dialog .expFileErrorMsg "Reload?" \
441	"File [file tail $expgui(expfile)] has been modified by another program. \
442	Do you want to load the newer version or lose the modifications \
443	by editing the current version?" \
444	warning 0 "Load new" "Continue editing"]
445	} else {
446	set ans [tk_dialog .expFileErrorMsg "Reload?" \
447	"File [file tail $expgui(expfile)] has been modified by another program \
448	and you have made $expgui(changed) changes to this version. \
449	Do you want to load the newer version or lose the modifications \
450	by continuing to edit the current version?" \
451	warning 0 "Load new" "Continue editing" "Save edited version"]
452	}
453	if {$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	savearchiveexp
460	}
461	}
462	after 2000 afterawhile
463	}
464	# -------- called to confirm before exiting
465	proc catchQuit {} {
466	if {[confirmBeforeSave] == "Continue"} {
467	destroy .
468	}
469	}
470	# save the .EXP file before exiting?
471	proc confirmBeforeSave {} {
472	global expgui
473	if !$expgui(changed) {
474	return "Continue"
475	}
476	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
477	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
478	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
479	switch $decision {
480	0 { savearchiveexp; return "Continue" }
481	1 { return "Continue" }
482	2 { return "Cancel" }
483	}
484	}
485
486	proc archiveexp {} {
487	global expgui tcl_platform
488	catch {
489	set expnam [file rootname $expgui(expfile)]
490	if {$tcl_platform(platform) == "windows"} {
491	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
492	# archive w/o pkzip
493	set files [glob -nocomplain ${expnam}!*.EXP]
494	if {$files == ""} {
495	set num -1
496	} else {
497	set file [lindex [lsort -decreasing $files] 0]
498	regexp {!0*([0-9]+)\.EXP} [string toupper $file] a num
499	}
500	set file $expnam![format "%3.3d" [incr num]].EXP
501	file copy $expnam.EXP $file
502	set fp [open $expnam.lst a]
503	puts $fp "\n--------------------------------------------------------------"
504	puts $fp "Archiving $expnam.EXP as $file"
505	puts $fp "--------------------------------------------------------------\n"
506	close $fp
507	} else {
508	# archive with PKZIP
509	# need to limit expnam to 8 characters
510	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
511	# PKZIP can't handle long dir names either
512	cd [set dir [file dirname $expnam]]
513	set num -1
514	# get the versions from the listing
515	if [file exists $sexp.zip] {
516	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
517	while {[gets $fp line] >= 0} {
518	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
519	catch {if {$n > $num} {set num $n}}
520	}
521	close $fp
522	}
523	incr num
524	set file $sexp.[format "%3.3d" $num]
525	file copy -force $expnam.EXP $file
526	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
527	set fp [open $expnam.lst a]
528	puts $fp "\n--------------------------------------------------------------"
529	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
530	puts $fp "--------------------------------------------------------------\n"
531	close $fp
532	}
533	} else {
534	set files [glob -nocomplain $expnam.EXP.*]
535	if {$files == ""} {
536	set file $expnam.EXP.000
537	} else {
538	set file [lindex [lsort -decreasing $files] 0]
539	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
540	incr number
541	set file $expnam.EXP.[format "%3.3d" $number]
542	}
543	exec cp $expgui(expfile) $file
544	if [catch {exec gzip $file}] {
545	exec echo "\n----------------------------------------------" >> $expnam.LST
546	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
547	exec echo "----------------------------------------------\n" >> $expnam.LST
548	} else {
549	exec echo "\n----------------------------------------------" >> $expnam.LST
550	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
551	exec echo "----------------------------------------------\n" >> $expnam.LST
552	}
553	}
554	} errmsg
555	if {$errmsg != ""} {
556	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
557	}
558	}
559
560	# save and optionally archive the expfile
561	proc savearchiveexp {} {
562	global expgui expmap
563	if !$expgui(changed) return
564	if $expgui(archive) archiveexp
565	# add a history record
566	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
567	# now save the file
568	expwrite $expgui(expfile)
569	set expgui(changed) 0
570	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
571	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
572	wm title . $expgui(expfile)
573	set expgui(titleunchanged) 1
574	}
575
576	# set the number of phases on the phase page
577	proc setphases {} {
578	global expgui expmap
579	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
580	foreach num $expmap(phaselist) {
581	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
582	-command "SelectOnePhase $num"] -side left
583	}
584	}
585
586	# Procedure to respond to changes the phase.
587	# This loads the "phases" widgets with data corresponding to the selected phase.
588	proc SelectOnePhase {num} {
589	global entryvar entrycmd expmap expgui
590	foreach n $expmap(phaselist) {
591	if {$n == $num} {
592	$expgui(phaseFrame).top.ps.$num config -relief sunken
593	} else {
594	$expgui(phaseFrame).top.ps.$n config -relief raised
595	}
596	}
597	set crsPhase $num
598	# no phase is selected
599	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
600	# disable traces on entryvar
601	set entrycmd(trace) 0
602	set entrycmd(phasename) ""
603	set entryvar(phasename) ""
604	foreach ent {a b c alpha beta gamma cellref celldamp} {
605	set entrycmd($ent) ""
606	set entryvar($ent) ""
607	}
608	set expgui(curPhase) {}
609	# enable traces on entryvar
610	set entrycmd(trace) 1
611	return
612	}
613
614	set expgui(curPhase) $crsPhase
615	# we have a phase
616
617	# disable traces on entryvar for right now
618	set entrycmd(trace) 0
619
620	##########################################################
621	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
622	##########################################################
623	# phase title
624	set entrycmd(phasename) "phaseinfo $crsPhase name"
625	set entryvar(phasename) [phaseinfo $crsPhase name]
626	# cell parameters & flags
627	foreach ent {a b c alpha beta gamma cellref celldamp} {
628	set entrycmd($ent) "phaseinfo $crsPhase $ent"
629	set entryvar($ent) [phaseinfo $crsPhase $ent]
630	}
631
632	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
633	# initialize to diasbled
634	DisplayAtom 0 0
635	DisplayU 0 0
636	DisplayRefFlags 0 0
637	$expgui(EditingAtoms) config -text ""
638
639	DisplayAllAtoms
640
641	# enable traces on entryvar now
642	set entrycmd(trace) 1
643	}
644
645	set expgui(noreenterDisplayAllAtoms) 0
646	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
647	proc DisplayAllAtoms {"mode reset"} {
648	global entryvar entrycmd expmap expgui
649	# if it does not show, dont bother
650	if {$expgui(pagenow) != "phaseFrame"} return
651	if {$expgui(curPhase) == ""} return
652	if $expgui(noreenterDisplayAllAtoms) return
653
654	set expgui(noreenterDisplayAllAtoms) 1
655	if {$mode != "reset"} {
656	# save the scrolled position
657	set pos [lindex [$expgui(atomlistbox) yview] 0]
658	} else {
659	# this is a reset -- clear the selected atoms list
660	set expgui(selectedatomlist) {}
661	}
662	$expgui(atomlistbox) delete 0 end
663	# loop over atoms
664	set maxline I
665	set phase $expgui(curPhase)
666	set atomlist {}
667	if {$expgui(asorttype) == "type"} {
668	# sort on atom type
669	foreach atom $expmap(atomlist_$phase) {
670	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
671	}
672	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
673	} elseif {$expgui(asorttype) == "number"} {
674	# sort on atom number
675	foreach atom $expmap(atomlist_$phase) {
676	lappend atomlist "$atom $atom $phase"
677	}
678	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
679	} elseif {$expgui(asorttype) == "x"} {
680	# sort on x
681	foreach atom $expmap(atomlist_$phase) {
682	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
683	}
684	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
685	} elseif {$expgui(asorttype) == "y"} {
686	# sort on y
687	foreach atom $expmap(atomlist_$phase) {
688	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
689	}
690	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
691	} elseif {$expgui(asorttype) == "z"} {
692	# sort on z
693	foreach atom $expmap(atomlist_$phase) {
694	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
695	}
696	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
697	} else {
698	error "Bad expgui(asorttype = $expgui(asorttype)"
699	}
700
701	foreach tuple $expmap(atomlistboxcontents) {
702	set atom [lindex $tuple 0]
703	set phase [lindex $tuple 2]
704	set refflag {}
705	foreach type {x u f} {
706	if {[atominfo $phase $atom ${type}ref]} {
707	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
708	} else {
709	append refflag " [atominfo $phase $atom ${type}damp] "
710	}
711	}
712	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
713	$atom \
714	[atominfo $phase $atom label] \
715	[atominfo $phase $atom type] \
716	$refflag \
717	[atominfo $phase $atom x] \
718	[atominfo $phase $atom y] \
719	[atominfo $phase $atom z] \
720	[atominfo $phase $atom frac]
721	]
722	# add temperature factors (iso/anoiso)
723	if {[atominfo $phase $atom temptype] == "A"} {
724	set maxline A
725	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
726	[atominfo $phase $atom U11] \
727	[atominfo $phase $atom U22] \
728	[atominfo $phase $atom U33] \
729	[atominfo $phase $atom U12] \
730	[atominfo $phase $atom U23] \
731	[atominfo $phase $atom U13]
732	]
733	} else {
734	append line [format " %9.5f" \
735	[atominfo $phase $atom Uiso]
736	]
737	}
738	$expgui(atomlistbox) insert end $line
739	}
740	$expgui(atomtitle) delete 0 end
741	if {$maxline == "A"} {
742	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
743	" name " "type " "ref/damp " "fractional coordinates " \
744	" Occupancy" \
745	"Uiso/Uij "]
746	} else {
747	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
748	" name " "type " "ref/damp " "fractional coordinates " \
749	" Occupancy" \
750	"Uiso"]
751	}
752	if {$mode != "reset"} {
753	# restore the selected items
754	foreach i $expgui(selectedatomlist) {
755	$expgui(atomlistbox) selection set $i
756	}
757	# restore the last scrolled position
758	$expgui(atomlistbox) yview moveto $pos
759	}
760	set expgui(noreenterDisplayAllAtoms) 0
761	}
762
763	# Procedure to select all atoms in response to a right-click
764	proc SelectAllAtoms {} {
765	global expgui
766	$expgui(atomlistbox) selection set 0 end
767	# call editRecord in case trace was called before the selection was made
768	editRecord
769	}
770
771	# Procedure to respond to left mouse release in the atoms Pane
772	proc editRecord { args } {
773	global entrycmd expgui
774	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
775	# disable traces on entryvar for right now
776	set entrycmd(trace) 0
777
778	if {[llength $expgui(selectedatomlist)] == 0} {
779	puts "How did this happen: [$expgui(atomlistbox) curselection]"
780	} elseif {[llength $expgui(selectedatomlist)] == 1} {
781	editOneRecord $expgui(selectedatomlist)
782	} else {
783	editMultipleRecords $expgui(selectedatomlist)
784	}
785	# reenable traces on entryvar
786	set entrycmd(trace) 1
787	# repaint the atoms box in case anything was changed
788	# DisplayAllAtoms noreset
789	}
790
791	proc editOneRecord { AtomIndex } {
792	global expmap expgui
793	# get atom number & phase
794	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
795	set atomnum [lindex $tuple 0]
796	set p [lindex $tuple 2]
797	DisplayU $atomnum $p
798	DisplayAtom $atomnum $p
799	DisplayRefFlags $atomnum $p
800	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
801	}
802
803	# this will not work for a multi-phase list of atoms (yet)
804	proc editMultipleRecords { AtomIndexList } {
805	global expmap expgui
806	set numberList {}
807	# current phase
808	set p $expgui(curPhase)
809	foreach AtomIndex $AtomIndexList {
810	# get atom number & phase
811	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
812	lappend numberList [lindex $tuple 0]
813	# set p [lindex $tuple 2]
814	}
815	# this needs to track by phase
816	$expgui(EditingAtoms) config -text \
817	"Set refinement options: atoms [CompressList $numberList]"
818	DisplayU 0 0
819	DisplayAtom 0 0
820	# this needs to track by phase
821	DisplayRefFlags $numberList $p
822	}
823
824	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
825	# becomes "1-4,6,7,13-15,19"
826	proc CompressList {numberList} {
827	# format the number list to save space
828	set lastnum -99
829	set flist {}
830	set count 0
831	foreach num [lsort -integer $numberList] {
832	set next [expr $lastnum+1]
833	if {$num != $next} {
834	if {$count == 0 && $flist != ""} {
835	append flist ",$num"
836	} elseif {$count == 1 && $flist != ""} {
837	append flist ",$lastnum,$num"
838	} elseif {$flist != ""} {
839	append flist "-$lastnum,$num"
840	} else {
841	append flist "$num"
842	}
843	set lastnum $num
844	set count 0
845	} else {
846	incr count
847	incr lastnum
848	}
849	}
850	if {$count == 1 && $flist != ""} {
851	append flist ",$lastnum"
852	} elseif {$flist != "" && $count > 1} {
853	append flist "-$lastnum"
854	}
855	return $flist
856	}
857
858	# Procedure to display Isotropic or Anisotropic temperature factors
859	# Changes the display to one entry widget for Isotropic motion OR
860	# 6 entry widgets for Anisotropic motion in Frame3.
861	# or disables the widet entirly if atom = 0
862	proc DisplayU { atomnum p} {
863	global expgui entryvar entrycmd
864	if {$atomnum == 0} {
865	set iOrA disable
866	} else {
867	set iOrA [atominfo $p $atomnum temptype]
868	}
869
870	set firstbox [lindex $expgui(anisolabels) 0]
871	if { $iOrA == "A" } {
872	$firstbox config -text "U11 "
873	foreach item $expgui(anisolabels) {
874	$item config -fg black
875	}
876	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
877	set entrycmd($var) "atominfo $p $atomnum $var"
878	set entryvar($var) [eval $entrycmd($var)]
879	$item config -fg black -state normal -bg white
880	}
881	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
882	foreach item $expgui(anisolabels) {
883	# $item config -fg grey
884	$item config -fg beige
885	}
886	foreach item [lrange $expgui(anisoentry) 1 end] \
887	var {U22 U33 U12 U13 U23} {
888	set entrycmd($var) ""
889	set entryvar($var) ""
890	$item config -fg beige -bg beige -state disabled
891	}
892	if { $iOrA == "disable"} {
893	set entrycmd($var) ""
894	set entryvar($var) ""
895	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
896	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
897	} else {
898	set entrycmd(U11) "atominfo $p $atomnum Uiso"
899	set entryvar(U11) [eval $entrycmd(U11)]
900	$firstbox config -text Uiso -fg black
901	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
902	}
903	}
904	}
905
906	# need to think about multiple phases
907
908	# Procedure to display refinement flags
909	proc DisplayRefFlags { atomnum p} {
910	global expgui entryvar entrycmd
911	if {$atomnum == 0} {
912	foreach label $expgui(atomreflbl) {
913	$label config -fg beige
914	}
915	foreach entry $expgui(atomref) {
916	$entry config -state disabled -fg beige -bg beige
917	}
918	return
919	}
920	foreach label $expgui(atomreflbl) {
921	$label config -fg black
922	}
923	foreach entry $expgui(atomref) {
924	$entry config -state normal -fg black -bg beige
925	}
926	foreach var {xref uref fref xdamp udamp fdamp} {
927	set entrycmd($var) "atominfo $p [list $atomnum] $var"
928	set entryvar($var) [eval $entrycmd($var)]
929	}
930	}
931
932	# Procedure to display an atom in the atom edit boxes
933	proc DisplayAtom { atomnum p} {
934	global expgui entryvar entrycmd
935	if {$atomnum == 0} {
936	foreach label $expgui(atomlabels) {
937	$label config -fg beige
938	}
939	foreach entry $expgui(atomentry) {
940	$entry config -state disabled -fg beige -bg beige
941	}
942	return
943	}
944	foreach label $expgui(atomlabels) {
945	$label config -fg black
946	}
947	foreach entry $expgui(atomentry) {
948	$entry config -state normal -fg black -bg white
949	}
950	foreach var {x y z label frac } {
951	set entrycmd($var) "atominfo $p $atomnum $var"
952	set entryvar($var) [eval $entrycmd($var)]
953	}
954	}
955
956	# update the histogram list
957	# to do: show histogram ref flags?
958	proc sethistlist {} {
959	global expgui expmap
960	foreach lbox $expgui(HistSelectList) {
961	$lbox.title delete 0 end
962	$lbox.lbox delete 0 end
963	if {$expgui(globalmode) != 0} {
964	$lbox.lbox config -selectmode extended
965	} else {
966	$lbox.lbox config -selectmode browse
967	}
968	}
969	# disable the unallowed pages in all mode
970	if {$expgui(globalmode) == 6} {
971	foreach pair $expgui(GlobalModeAllDisable) {
972	if {$expgui(pagenow) == [lindex $pair 0]} {
973	if !$expgui(havetix) {
974	RaisePage lsFrame
975	} else {
976	.n raise lsPane
977	set expgui(pagenow) lsFrame
978	}
979	}
980	eval [lindex $pair 1] -state disabled
981	}
982	} else {
983	foreach pair $expgui(GlobalModeAllDisable) {
984	eval [lindex $pair 1] -state normal
985	}
986	}
987	set histlist {}
988	if {$expgui(hsorttype) == "type"} {
989	# sort on histogram type
990	foreach h [lsort -integer -increasing $expmap(powderlist)] {
991	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
992	}
993	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
994	} elseif {$expgui(hsorttype) == "number"} {
995	# sort on histogram number
996	foreach h [lsort -integer -increasing $expmap(powderlist)] {
997	lappend histlist "$h $h"
998	}
999	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1000	} elseif {$expgui(hsorttype) == "bank"} {
1001	# sort on original bank number
1002	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1003	lappend histlist "$h [histinfo $h bank]"
1004	}
1005	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1006	} elseif {$expgui(hsorttype) == "angle"} {
1007	# sort on wavelength (CW) or angle (E disp.)
1008	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1009	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1010	set det [format %8.2f [histinfo $h tofangle]]
1011	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1012	set det [format %8.5f [histinfo $h lam1]]
1013	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1014	set det [format %8.2f [histinfo $h lam1]]
1015	} else {
1016	set det {}
1017	}
1018	lappend histlist "$h $det"
1019	}
1020	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1021	}
1022
1023	# title field needs to match longest title
1024	foreach lbox $expgui(HistSelectList) {
1025	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1026	"h#" \
1027	type \
1028	bank \
1029	"ang/wave" \
1030	" title" \
1031	]
1032	}
1033	foreach tuple $expmap(histlistboxcontents) {
1034	set h [lindex $tuple 0]
1035
1036	if {$expgui(globalmode) == 1} {
1037	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1038	} elseif {$expgui(globalmode) == 2} {
1039	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1040	} elseif {$expgui(globalmode) == 3} {
1041	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1042	[histinfo $h lam2] == 0.0} continue
1043	} elseif {$expgui(globalmode) == 4} {
1044	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1045	[histinfo $h lam2] != 0.0} continue
1046	} elseif {$expgui(globalmode) == 5} {
1047	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1048	}
1049
1050	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1051	set det [format %8.2f [histinfo $h tofangle]]
1052	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1053	set det [format %8.5f [histinfo $h lam1]]
1054	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1055	set det [format %8.2f [histinfo $h lam1]]
1056	} else {
1057	set det {}
1058	}
1059	foreach lbox $expgui(HistSelectList) {
1060	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1061	$h \
1062	[string range $expmap(htype_$h) 1 2] \
1063	[histinfo $h bank] \
1064	$det \
1065	[string range [histinfo $h title] 0 66] \
1066	]
1067	}
1068	}
1069	foreach set $expgui(frameactionlist) {
1070	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1071	}
1072	}
1073
1074	#-----------------------------------------------------------------------
1075	# ----------- draw Histogram page
1076	#-----------------------------------------------------------------------
1077	proc DisplayHistogram {} {
1078	global expgui entrycmd entryvar expmap
1079
1080	# display the selected histograms
1081	$expgui(histFrame).hs.lbox selection clear 0 end
1082	foreach h $expgui(curhist) {
1083	$expgui(histFrame).hs.lbox selection set $h
1084	}
1085
1086	# disable traces on entryvar for right now
1087	set entrycmd(trace) 0
1088
1089	# get histogram list
1090	set histlist {}
1091	foreach item $expgui(curhist) {
1092	lappend histlist [lindex $expmap(powderlist) $item]
1093	}
1094	# must have at least one histogram selected here
1095	if {[llength $histlist] == 0} {
1096	set expgui(backtermlbl) ""
1097	set expgui(backtypelbl) ""
1098	foreach var {bref bdamp} {
1099	set entrycmd($var) ""
1100	set entryvar($var) ""
1101	}
1102	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1103	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1104	set expgui(bkglbl) ""
1105	eval destroy [grid slaves $expgui(diffBox)]
1106	set entrycmd(trace) 1
1107	return
1108	}
1109
1110	if {$expgui(globalmode) != 0} {
1111	set expgui(backtermlbl) ""
1112	set expgui(backtypelbl) ""
1113	foreach var {bref bdamp} {
1114	set entrycmd($var) "histinfo [list $histlist] $var"
1115	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1116	}
1117	} else {
1118	set hist $histlist
1119	set terms [histinfo $hist backterms]
1120	set expgui(backtermlbl) "($terms terms)"
1121	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1122	foreach var {bref bdamp} {
1123	set entrycmd($var) "histinfo $hist $var"
1124	set entryvar($var) [eval $entrycmd($var)]
1125	}
1126	}
1127	# Top box
1128	if {$expgui(globalmode) != 0} {
1129	$expgui(histFrame).top.txt config \
1130	-text "Selected Histograms: [CompressList $histlist]"
1131	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1132	set expgui(bkglbl) "Globally Edit Background"
1133	} else {
1134	grid forget $expgui(histFrame).top
1135	set expgui(bkglbl) "Edit Background"
1136	}
1137
1138	# diffractometer constants
1139	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1140	wref pref dcref daref ratref ttref zref } {
1141	set entrycmd($var) "histinfo [list $histlist] $var"
1142	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1143	}
1144
1145	eval destroy [grid slaves $expgui(diffBox)]
1146	if {$expgui(globalmode) == 0} {
1147	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1148	#------
1149	# TOF \|
1150	#------
1151	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1152	-column 1 -row 1
1153	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1154	-column 2 -row 1
1155	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1156	-column 3 -row 1 -sticky w
1157	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1158	-width 15 ] -column 4 -row 1
1159	#
1160	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1161	-column 1 -row 2
1162	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1163	-column 2 -row 2
1164	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1165	-column 3 -row 2
1166	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1167	-width 15 ] -column 4 -row 2
1168	#
1169	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1170	-column 3 -row 3
1171	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1172	-width 15 ] -column 4 -row 3
1173	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1174	-column 1 -row 3 -sticky w
1175	grid [ checkbutton $expgui(diffBox).rfDCzref \
1176	-variable entryvar(zref) ] -column 2 -row 3
1177	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1178	#---------------
1179	# CW - neutron \|
1180	#---------------
1181	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1182	-column 1 -row 1
1183	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1184	-column 2 -row 1
1185	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1186	-column 3 -row 1 -sticky w
1187	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1188	-width 15 ] -column 4 -row 1
1189	#
1190	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1191	-column 1 -row 3 -sticky w
1192	grid [ checkbutton $expgui(diffBox).rfDCzref \
1193	-variable entryvar(zref) ] -column 2 -row 3
1194	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1195	-column 3 -row 3
1196	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1197	-width 15 ] -column 4 -row 3
1198	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1199	[histinfo $hist lam2] == 0.0} {
1200	#--------------------------
1201	# CW - x-ray 1 wavelength \|
1202	#--------------------------
1203	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1204	-column 1 -row 1
1205	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1206	-column 2 -row 1
1207	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1208	-column 3 -row 1 -sticky w
1209	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1210	-width 15 ] -column 4 -row 1
1211	#
1212	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1213	-column 1 -row 3 -sticky w
1214	grid [ checkbutton $expgui(diffBox).rfDCzref \
1215	-variable entryvar(zref) ] -column 2 -row 3
1216	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1217	-column 3 -row 3
1218	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1219	-width 15 ] -column 4 -row 3
1220	#
1221	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1222	-column 1 -row 4 -sticky w
1223	grid [ checkbutton $expgui(diffBox).rfDCpref \
1224	-variable entryvar(pref) ] -column 2 -row 4
1225	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1226	-column 3 -row 4
1227	grid [ entry $expgui(diffBox).eDCpola \
1228	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1229	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1230	-column 5 -row 4
1231	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1232	-textvariable entryvar(ipola)] -column 6 -row 4
1233	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1234	#---------------------------
1235	# CW - x-ray 2 wavelengths \|
1236	#---------------------------
1237	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1238	-column 3 -row 1 -sticky w
1239	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1240	-width 15 ] -column 4 -row 1
1241	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1242	-width 15 ] -column 5 -row 1
1243	#
1244	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1245	-column 1 -row 2 -sticky w
1246	grid [ checkbutton $expgui(diffBox).rfDCrref \
1247	-variable entryvar(ratref) ] -column 2 -row 2
1248	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1249	-column 3 -row 2
1250	grid [ entry $expgui(diffBox).eDCkratio \
1251	-textvariable entryvar(kratio) \
1252	-width 15 ] -column 4 -row 2
1253	#
1254	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1255	-column 3 -row 3
1256	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1257	-width 15 ] -column 4 -row 3
1258	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1259	-column 1 -row 3 -sticky w
1260	grid [ checkbutton $expgui(diffBox).rfDCzref \
1261	-variable entryvar(zref) ] -column 2 -row 3
1262	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1263	-column 1 -row 4 -sticky w
1264	grid [ checkbutton $expgui(diffBox).rfDCpref \
1265	-variable entryvar(pref) ] -column 2 -row 4
1266	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1267	-column 3 -row 4
1268	grid [ entry $expgui(diffBox).eDCpola \
1269	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1270	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1271	-column 5 -row 4
1272	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1273	-textvariable entryvar(ipola)] -column 6 -row 4
1274	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1275	#-------------
1276	# ED - x-ray \|
1277	#-------------
1278	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1279	-column 1 -row 1
1280	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1281	-column 2 -row 1
1282	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1283	-column 3 -row 1 -sticky w
1284	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1285	-width 15 ] -column 4 -row 1
1286	#
1287	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1288	-column 1 -row 4 -sticky w
1289	grid [ checkbutton $expgui(diffBox).rfDCpref \
1290	-variable entryvar(pref) ] -column 2 -row 4
1291	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1292	-column 3 -row 4
1293	grid [ entry $expgui(diffBox).eDCpola \
1294	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1295	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1296	-column 5 -row 4
1297	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1298	-textvariable entryvar(ipola)] -column 6 -row 4
1299	}
1300	} elseif {$expgui(globalmode) == 1} {
1301	#-------------
1302	# Global TOF \|
1303	#-------------
1304	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1305	-column 1 -row 1
1306	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1307	-column 2 -row 1
1308	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1309	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1310	#
1311	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1312	-column 1 -row 2
1313	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1314	-column 2 -row 2
1315	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1316	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1317	#
1318	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1319	-column 1 -row 3 -sticky w
1320	grid [ checkbutton $expgui(diffBox).rfDCzref \
1321	-variable entryvar(zref) ] -column 2 -row 3
1322	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1323	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1324	} elseif {$expgui(globalmode) == 2} {
1325	#--------------------
1326	# Global CW neutron \|
1327	#--------------------
1328	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1329	-column 1 -row 1
1330	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1331	-column 2 -row 1
1332	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1333	-command "editglobalparm histinfo lam1 Wavelength"] \
1334	-column 3 -row 1
1335	#
1336	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1337	-column 1 -row 3 -sticky w
1338	grid [ checkbutton $expgui(diffBox).rfDCzref \
1339	-variable entryvar(zref) ] -column 2 -row 3
1340	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1341	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1342	} elseif {$expgui(globalmode) == 4} {
1343	#----------------------
1344	# Global CW mono xray \|
1345	#----------------------
1346	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1347	-column 1 -row 1
1348	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1349	-column 2 -row 1
1350	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1351	-command "editglobalparm histinfo lam1 Wavelength"] \
1352	-column 3 -row 1
1353	#
1354	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1355	-column 1 -row 3 -sticky w
1356	grid [ checkbutton $expgui(diffBox).rfDCzref \
1357	-variable entryvar(zref) ] -column 2 -row 3
1358	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1359	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1360	#
1361	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1362	-column 1 -row 4 -sticky w
1363	grid [ checkbutton $expgui(diffBox).rfDCpref \
1364	-variable entryvar(pref) ] -column 2 -row 4
1365	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1366	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1367	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1368	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1369	} elseif {$expgui(globalmode) == 3} {
1370	#------------------------
1371	# Global alpha 1,2 xray \|
1372	#------------------------
1373	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1374	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1375	-column 3 -row 1
1376	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1377	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1378	-column 4 -row 1
1379	#
1380	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1381	-column 1 -row 3 -sticky w
1382	grid [ checkbutton $expgui(diffBox).rfDCratref \
1383	-variable entryvar(ratref) ] -column 2 -row 3
1384	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1385	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1386	-column 3 -row 3
1387	#
1388	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1389	-column 1 -row 3 -sticky w
1390	grid [ checkbutton $expgui(diffBox).rfDCzref \
1391	-variable entryvar(zref) ] -column 2 -row 3
1392	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1393	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1394	#
1395	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1396	-column 1 -row 4 -sticky w
1397	grid [ checkbutton $expgui(diffBox).rfDCpref \
1398	-variable entryvar(pref) ] -column 2 -row 4
1399	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1400	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1401	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1402	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1403	} elseif {$expgui(globalmode) == 5} {
1404	#-----------------
1405	# Global ED xray \|
1406	#-----------------
1407	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1408	-column 1 -row 1
1409	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1410	-column 2 -row 1
1411	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1412	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1413	-column 3 -row 1
1414	#
1415	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1416	-column 1 -row 4 -sticky w
1417	grid [ checkbutton $expgui(diffBox).rfDCpref \
1418	-variable entryvar(pref) ] -column 2 -row 4
1419	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1420	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1421	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1422	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1423	}
1424	if {$expgui(globalmode) == 0} {
1425	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1426	-columnspan 2 -sticky e
1427	} else {
1428	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1429	-columnspan 2 -sticky e
1430	}
1431	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1432	-column 1 -row 1
1433	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1434	grid $expgui(diffBox).d.om -column 2 -row 1
1435	grid columnconfigure $expgui(diffBox) 9 -weight 1
1436	grid columnconfigure $expgui(diffBox) 0 -weight 1
1437	update idletasks
1438	# enable traces on entryvar now
1439	set entrycmd(trace) 1
1440	}
1441
1442	#-----------------------------------------------------------------------
1443	# populate the Scaling page
1444	#-----------------------------------------------------------------------
1445	proc DisplayFrac {} {
1446	global expgui entrycmd entryvar expmap
1447
1448	# display the selected histograms
1449	$expgui(fracFrame).hs.lbox selection clear 0 end
1450	foreach h $expgui(curhist) {
1451	$expgui(fracFrame).hs.lbox selection set $h
1452	}
1453
1454	# disable traces on entryvar
1455	set entrycmd(trace) 0
1456
1457	# get histogram list
1458	set histlist {}
1459	foreach item $expgui(curhist) {
1460	lappend histlist [lindex $expmap(powderlist) $item]
1461	}
1462
1463	# must have at least one histogram selected here
1464	if {[llength $histlist] == 0} {
1465	foreach var {scale sref sdamp} {
1466	set entrycmd($var) ""
1467	set entryvar($var) ""
1468	}
1469	set parm [grid info $expgui(scaleBox).but1]
1470	if {$parm != ""} {
1471	grid forget $expgui(scaleBox).but1
1472	eval grid $expgui(scaleBox).ent1 $parm
1473	}
1474	# destroy the contents of the frame
1475	set phaseFractf1 $expgui(FracBox).f
1476	eval destroy [grid slaves $phaseFractf1]
1477	# reenable traces on entryvar
1478	set entrycmd(trace) 1
1479	return
1480	}
1481
1482	#--------------
1483	# Scale factor
1484	#--------------
1485	if {$expgui(globalmode) != 0} {
1486	foreach var {scale sref sdamp} {
1487	set entrycmd($var) "histinfo [list $histlist] $var"
1488	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1489	}
1490	set parm [grid info $expgui(scaleBox).ent1]
1491	if {$parm != ""} {
1492	grid forget $expgui(scaleBox).ent1
1493	eval grid $expgui(scaleBox).but1 $parm
1494	}
1495	} else {
1496	set hist $histlist
1497	foreach var {scale sref sdamp} {
1498	set entrycmd($var) "histinfo $hist $var"
1499	set entryvar($var) [eval $entrycmd($var)]
1500	}
1501	set parm [grid info $expgui(scaleBox).but1]
1502	if {$parm != ""} {
1503	grid forget $expgui(scaleBox).but1
1504	eval grid $expgui(scaleBox).ent1 $parm
1505	}
1506	}
1507
1508	#----------------
1509	# Phase Fractions
1510	#----------------
1511	set phaseFractf1 $expgui(FracBox).f
1512	# destroy the contents of the frame
1513	eval destroy [grid slaves $phaseFractf1]
1514	if {$expgui(globalmode) != 0} {
1515	grid [label $phaseFractf1.txt -anchor center \
1516	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1517	-column 0 -row 0 -sticky news
1518	} else {
1519	grid [label $phaseFractf1.txt -anchor center \
1520	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1521	}
1522	# Create the frame inside the canvas, One frame for each Phase.
1523	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1524	foreach hist $histlist {
1525	foreach i $expmap(phaselist_$hist) {
1526	lappend phasehistlist($i) $hist
1527	}
1528	}
1529	foreach i {1 2 3 4 5 6 7 8 9} {
1530	if {[llength $phasehistlist($i)] == 0} continue
1531	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1532	grid $framePF -column 0 -row $i -sticky ew
1533	# Label Heading for each phase.
1534	if {$expgui(globalmode) != 0} {
1535	grid [label $framePF.l1 \
1536	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1537	-column 0 -row 0 -sticky nws
1538	grid [button $framePF.but1 -text "Set Globally" \
1539	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1540	[list $phasehistlist($i)] $i" \
1541	] -column 1 -row 0
1542	} else {
1543	grid [label $framePF.l1 -text "Phase $i fraction"] \
1544	-column 0 -row 0 -sticky nws
1545	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1546	-column 1 -row 0
1547	}
1548	set entrycmd(frac$i) "hapinfo $hist $i frac"
1549	set entryvar(frac$i) [hapinfo $hist $i frac]
1550	grid [label $framePF.l2 -text " Refine"] \
1551	-column 2 -row 0 -sticky nws
1552	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1553	-column 3 -row 0 -sticky nws
1554	set entrycmd(frref$i) "hapinfo $hist $i frref"
1555	set entryvar(frref$i) [hapinfo $hist $i frref]
1556	grid [label $framePF.l3 -text " Damping"] \
1557	-column 4 -row 0 -sticky nws
1558	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1559	0 1 2 3 4 5 6 7 8 9
1560	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1561	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1562	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1563	}
1564	# resize the scroll window to match the actual
1565	update idletasks
1566	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1567	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1568	update idletasks
1569	# enable traces on entryvar now
1570	set entrycmd(trace) 1
1571	}
1572
1573	#-----------------------------------------------------------------------
1574	# display the profile page
1575	#-----------------------------------------------------------------------
1576	proc DisplayProfile {} {
1577	global expgui entrycmd entryvar expmap
1578	$expgui(profFrame).hs.lbox selection clear 0 end
1579	foreach h $expgui(curhist) {
1580	$expgui(profFrame).hs.lbox selection set $h
1581	}
1582
1583	# destroy the contents of the frame
1584	eval destroy [grid slaves $expgui(ProfileBox).f]
1585
1586	if {$expgui(globalmode) == 0} {
1587	# must have at least one histogram selected here
1588	if {[llength $expgui(curhist)] == 0} return
1589	# disable traces on entryvar for right now
1590	set entrycmd(trace) 0
1591	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1592	# Create one frame for each Phase.
1593	set ind -1
1594	set htype [string range $expmap(htype_$hist) 2 2]
1595	foreach i $expmap(phaselist_$hist) {
1596	incr ind
1597	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1598	-column 0 -row $ind -sticky ew
1599	grid [frame $expgui(ProfileBox).f.$i.1] \
1600	-column 0 -row 0 -columnspan 10 -sticky ew
1601	# Label Heading for each phase.
1602	set ptype [string trim [hapinfo $hist $i proftype]]
1603	pack [label $expgui(ProfileBox).f.$i.1.l \
1604	-text "Phase $i -- type $ptype Damping"]\
1605	-side left
1606	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1607	0 1 2 3 4 5 6 7 8 9
1608	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1609	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1610	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1611	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1612	-text " Peak cutoff"]\
1613	-side left
1614	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1615	-width 10 -textvariable entryvar(pcut_$i)]\
1616	-side left
1617	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1618	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1619
1620	set col -1
1621	set row 1
1622	set nterms [hapinfo $hist $i profterms]
1623	set lbls {}
1624	catch {set lbls $expgui(prof-$htype-$ptype)}
1625	# for type 4, add extra terms depending on the cell type
1626	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1627	for { set num 1 } { $num <= $nterms } { incr num } {
1628	set term {}
1629	catch {set term [lindex $lbls $num]}
1630	if {$term == ""} {set term $num}
1631	incr col
1632	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1633	-row $row -column $col
1634	incr col
1635	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1636	-variable entryvar(pref${num}_$i)] -row $row -column $col
1637	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1638	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1639	incr col
1640	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1641	-textvariable entryvar(pterm${num}_$i)\
1642	-width 12] -row $row -column $col
1643	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1644	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1645	if {$col > 6} {set col -1; incr row}
1646	}
1647	}
1648	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1649	} else {
1650	# get histogram list
1651	set histlist {}
1652	foreach item $expgui(curhist) {
1653	lappend histlist [lindex $expmap(powderlist) $item]
1654	}
1655	# must have at least one histogram selected here
1656	if {[llength $histlist] == 0} return
1657	# disable traces on entryvar for right now
1658	set entrycmd(trace) 0
1659	# loop through histograms & phases, set up an array by type
1660	catch {unset ptypearray histarray phasearray}
1661	foreach hist $histlist {
1662	foreach i $expmap(phaselist_$hist) {
1663	set ptype [string trim [hapinfo $hist $i proftype]]
1664	lappend ptypearray(${ptype}_$i) $hist
1665	lappend histarray($ptype) $hist
1666	lappend phasearray($ptype) $i
1667	}
1668	}
1669
1670	set ptype ""
1671	set title ""
1672	set ind -1
1673	foreach key "[lsort [array names ptypearray]] 0_0" {
1674	# split key
1675	scan $key %d_%d type p
1676	# 1st time through
1677	if {$ptype == ""} {set ptype $type}
1678	if {$ptype == $type} {
1679	# we've seen this one before
1680	if {$title != ""} {append title "\n"}
1681	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1682	} else {
1683	set hist [lindex $histarray($ptype) 0]
1684	set phase [lindex $phasearray($ptype) 0]
1685	set nterms [hapinfo $hist $phase profterms]
1686	set htype [string range $expmap(htype_$hist) 2 2]
1687	set lbls $expgui(prof-$htype-$ptype)
1688	set i $ptype
1689	# Create one frame for this type
1690	incr ind
1691	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1692	-column 0 -row $ind -sticky ew
1693	grid [frame $expgui(ProfileBox).f.$i.0] \
1694	-column 0 -row 0 -columnspan 20 -sticky ew
1695	grid [label $expgui(ProfileBox).f.$i.0.0 \
1696	-text "Profile Type $ptype "] -row 0 -column 0
1697	grid [label $expgui(ProfileBox).f.$i.0.1 \
1698	-text $title -anchor w] -row 0 -column 1
1699	grid [frame $expgui(ProfileBox).f.$i.1] \
1700	-column 0 -row 1 -columnspan 20 -sticky ew
1701	grid [label $expgui(ProfileBox).f.$i.1.2 \
1702	-text "Damping"] -row 0 -column 2
1703	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1704	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1705	set entrycmd(pdamp_$ptype) "hapinfo \
1706	[list $histarray($ptype)] \
1707	[list $phasearray($ptype)] pdamp"
1708	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1709	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1710	grid [button $expgui(ProfileBox).f.$i.1.edit \
1711	-text "Global Edit" \
1712	-command "EditProfile [list $title] \
1713	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1714	] -row 0 -column 4 -sticky w
1715	# for type 4, add extra terms depending on the cell type
1716	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1717	set col -1
1718	set row 2
1719	for { set num 1 } { $num <= $nterms } { incr num } {
1720	set term {}
1721	catch {set term [lindex $lbls $num]}
1722	if {$term == ""} {set term $num}
1723	incr col
1724	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1725	-row $row -column $col
1726	incr col
1727	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1728	-variable entryvar(pref${num}_$i)] \
1729	-row $row -column $col
1730	set entrycmd(pref${num}_$i) "hapinfo \
1731	[list $histarray($ptype)] \
1732	[list $phasearray($ptype)] pref$num"
1733	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1734	if {$col > 10} {set col -1; incr row}
1735	}
1736	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1737	set ptype ""
1738	}
1739	}
1740	}
1741
1742	# resize the scroll window to match the actual
1743	update idletasks
1744	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1745	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1746	update idletasks
1747	# enable traces on entryvar now
1748	set entrycmd(trace) 1
1749	}
1750
1751	# profile labels for type 4 profile
1752	proc type4lbls {lbls nterms phase} {
1753	if {$nterms == 14} {
1754	# cubic
1755	lappend lbls S400 S220
1756	} elseif {$nterms == 15} {
1757	# hexagonal
1758	lappend lbls S400 S004 S202
1759	} elseif {$nterms == 16} {
1760	# tetragonal or rhombohedral
1761	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1762	# rhombohedral
1763	lappend lbls S400 S220 S310 S211
1764	} else {
1765	lappend lbls S400 S004 S220 S202
1766	}
1767	} elseif {$nterms == 18} {
1768	# orthorhombic
1769	lappend lbls S400 S040 S004 S220 S202 S022
1770	} elseif {$nterms == 21} {
1771	# monoclinic
1772	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1773	} elseif {$nterms == 25} {
1774	# triclinic
1775	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1776	S130 S301 S013 S211 S121 S112
1777	}
1778	return $lbls
1779	}
1780
1781	# process the bit settings in the print options
1782	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1783	proc printsetting {bitnum "action get" "value {}"} {
1784	global entryvar expgui
1785	if {$action == "get"} {
1786	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1787	} elseif $value {
1788	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1789	} else {
1790	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1791	}
1792	expinfo print set $newval
1793	set expgui(printopt) "Print Options ([expinfo print])"
1794	}
1795
1796	# need to respond to mouse presses -- control variable associated with extract Fobs
1797	# and set the LeBail extraction flags
1798	proc SetupExtractHist {} {
1799	global expgui entrycmd entryvar expmap
1800
1801	# display the selected histograms
1802	$expgui(lsFrame).hs.lbox selection clear 0 end
1803	foreach h $expgui(curhist) {
1804	$expgui(lsFrame).hs.lbox selection set $h
1805	}
1806
1807	# get histogram list
1808	set histlist {}
1809	foreach item $expgui(curhist) {
1810	set hist [lindex $expmap(powderlist) $item]
1811	if {$hist != ""} {lappend histlist $hist}
1812	}
1813	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1814	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1815	foreach phase {1 2 3 4 5 6 7 8 9} {
1816	$expgui(lsFrame).f1.a.l$phase config -fg grey
1817	set expgui(Fextract$phase) {}
1818	foreach item $expgui(ExtractSettingsRadiobuttons) {
1819	${item}$phase config -state disabled -bd 1
1820	}
1821	}
1822	} elseif {[llength $histlist] == 1} {
1823	# disable traces on entryvar
1824	set entrycmd(trace) 0
1825	set entryvar(fobsextract) [histinfo $histlist foextract]
1826	foreach phase {1 2 3 4 5 6 7 8 9} {
1827	# is the phase present?
1828	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1829	$expgui(lsFrame).f1.a.l$phase config -fg grey
1830	set expgui(Fextract$phase) {}
1831	foreach item $expgui(ExtractSettingsRadiobuttons) {
1832	${item}$phase config -state disabled -bd 1
1833	}
1834	} else {
1835	$expgui(lsFrame).f1.a.l$phase config -fg black
1836	foreach item $expgui(ExtractSettingsRadiobuttons) {
1837	${item}$phase config -state normal -bd 2
1838	}
1839	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1840	}
1841	}
1842	} elseif {[llength $histlist] > 1} {
1843	# disable traces on entryvar
1844	set entrycmd(trace) 0
1845	# multiple histograms need phases in any histogram
1846	foreach phase {1 2 3 4 5 6 7 8 9} {
1847	set gotphase($phase) 0
1848	}
1849	foreach hist $histlist {
1850	foreach phase $expmap(phaselist_$hist) {
1851	set gotphase($phase) 1
1852	}
1853	}
1854	foreach phase {1 2 3 4 5 6 7 8 9} {
1855	set expgui(Fextract$phase) {}
1856	if $gotphase($phase) {
1857	$expgui(lsFrame).f1.a.l$phase config -fg black
1858	foreach item $expgui(ExtractSettingsRadiobuttons) {
1859	${item}$phase config -state normal -bd 2
1860	}
1861	} else {
1862	$expgui(lsFrame).f1.a.l$phase config -fg grey
1863	foreach item $expgui(ExtractSettingsRadiobuttons) {
1864	${item}$phase config -state disabled -bd 1
1865	}
1866	}
1867	}
1868	}
1869	# reenable traces
1870	set entrycmd(trace) 1
1871	}
1872	# respond to a change in the fobs extraction method for a phase
1873	# force the main extraction flag on, if fobs extraction is selected for any phase
1874	proc HistExtractSet {phase} {
1875	global expgui entryvar expmap
1876	foreach item $expgui(curhist) {
1877	lappend histlist [lindex $expmap(powderlist) $item]
1878	}
1879	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1880	incr expgui(changed)
1881	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1882	}
1883	#---------------------------- Global Edit Functions ------------------------
1884	proc editbackground {} {
1885	global expgui expmap entrycmd
1886	set histlist {}
1887	foreach n $expgui(curhist) {
1888	lappend histlist [lindex $expmap(powderlist) $n]
1889	}
1890	if {[llength $histlist] == 0} return
1891
1892	set w .back
1893	catch {destroy $w}
1894	toplevel $w -bg beige
1895	if {$expgui(globalmode) != 0} {
1896	wm title $w "Edit Background"
1897	} else {
1898	wm title $w "Global Edit Background"
1899	}
1900
1901	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1902	] -side top -expand yes -fill both
1903	if {[llength $histlist] > 1} {
1904	grid [label $w.0.a \
1905	-text "Setting background terms for histograms [CompressList $histlist]" \
1906	-bg beige] -row 0 -column 0 -columnspan 10
1907	} else {
1908	grid [label $w.0.a \
1909	-text "Setting background terms for histogram $histlist" \
1910	-bg beige] -row 0 -column 0 -columnspan 10
1911	}
1912	set hist [lindex $histlist 0]
1913	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1914
1915	# disable traces on expgui(backtype) & expgui(backterms) now
1916	set entrycmd(trace) 0
1917
1918	# number of terms
1919	set expgui(backtype) [histinfo $hist backtype]
1920	set expgui(orig_backtype) $expgui(backtype)
1921	set expgui(prev_backtype) $expgui(backtype)
1922	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1923	grid $w.0.type -row 1 -column 1
1924	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1925
1926	# function type
1927	set expgui(backterms) [histinfo $hist backterms]
1928	set expgui(orig_backterms) $expgui(backterms)
1929	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1930	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1931	grid $w.0.terms -row 1 -column 3
1932	# enable traces on expgui(backtype) & expgui(backterms) now
1933	set entrycmd(trace) 1
1934
1935	#set background terms
1936	for {set num 1 } { $num <= 36 } { incr num } {
1937	set var "bterm$num"
1938	set expgui($var) {}
1939	set expgui(orig_$var) {}
1940	}
1941	if {[llength $histlist] == 1} {
1942	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1943	set var "bterm$num"
1944	set expgui($var) [histinfo $histlist $var]
1945	set expgui(orig_$var) $expgui($var)
1946	}
1947	}
1948
1949	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1950	-expand yes -fill both
1951	ShowBackTerms $w.1
1952
1953	set expgui(temp) {}
1954	pack [frame $w.b] -side top
1955	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1956	pack [button $w.b.3 -text Quit \
1957	-command "QuitEditBackground $w"] -side left
1958	bind $w <Return> "destroy $w"
1959
1960	# force the window to stay on top
1961	putoptop $w
1962
1963	focus $w.b.2
1964	tkwait window $w
1965	afterputontop
1966
1967	if {$expgui(temp) != ""} return
1968
1969	if {$expgui(orig_backtype) != $expgui(backtype)} {
1970	histinfo $histlist backtype set $expgui(backtype)
1971	incr expgui(changed)
1972	}
1973	if {$expgui(orig_backterms) != $expgui(backterms)} {
1974	histinfo $histlist backterms set $expgui(backterms)
1975	incr expgui(changed)
1976	}
1977	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1978	set var "bterm$num"
1979	if {$expgui(orig_$var) != $expgui($var)} {
1980	histinfo $histlist $var set $expgui($var)
1981	incr expgui(changed)
1982	}
1983	}
1984
1985	if {$expgui(globalmode) == 0} {
1986	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1987	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1988	}
1989	}
1990
1991	trace variable expgui(backterms) w ChangeBackTerms
1992	proc ChangeBackTerms {a b c} {
1993	global entrycmd expgui
1994	if !$entrycmd(trace) return
1995	ShowBackTerms .back.1
1996	}
1997
1998	trace variable expgui(backtype) w ChangeBackType
1999	# reset the terms to 1, 0, 0... when the number of terms increase
2000	proc ChangeBackType {a b c} {
2001	global entrycmd expgui
2002	if !$entrycmd(trace) return
2003	if {$expgui(prev_backtype) == $expgui(backtype)} return
2004	set expgui(prev_backtype) $expgui(backtype)
2005	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2006	set var "bterm$num"
2007	if {$num == 1} {
2008	set expgui($var) 1.0
2009	} else {
2010	set expgui($var) 0.0
2011	}
2012	}
2013	}
2014
2015	proc ShowBackTerms {w } {
2016	global expgui expmap
2017	# destroy the contents of the frame
2018	eval destroy [grid slaves $w]
2019	set histlist {}
2020	foreach n $expgui(curhist) {
2021	lappend histlist [lindex $expmap(powderlist) $n]
2022	}
2023	set widgetsPerRow 4
2024	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2025	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2026	set var "bterm$num"
2027	grid [label $w.l$num -text $num -bg beige] \
2028	-row $rows -column $cols -sticky nes
2029	incr cols
2030	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2031	] -row $rows -column $cols -sticky news
2032	incr cols
2033	}
2034	}
2035	}
2036
2037	proc QuitEditBackground {w} {
2038	global expgui
2039	# lets find out if anything changed
2040	set changed 0
2041	if {$expgui(orig_backtype) != $expgui(backtype)} {
2042	set changed 1
2043	}
2044	if {$expgui(orig_backterms) != $expgui(backterms)} {
2045	set changed 1
2046	}
2047	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2048	set var "bterm$num"
2049	if {$expgui(orig_$var) != $expgui($var)} {
2050	set changed 1
2051	break
2052	}
2053	}
2054	if $changed {
2055	set decision [tk_dialog .changes "Abandon Changes" \
2056	"You have made changes to the background. Ok to abandon changes?" \
2057	warning 0 Abandon Keep]
2058	if !$decision {
2059	set expgui(temp) "Quit"
2060	destroy $w
2061	}
2062	} else {
2063	set expgui(temp) "Quit"
2064	destroy $w
2065	}
2066	}
2067
2068	# this probably needs work
2069	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2070	global expgui expmap
2071	set w .global
2072	catch {destroy $w}
2073	toplevel $w -bg beige
2074	wm title $w "Edit Global Parameter"
2075	set expgui(temp) {}
2076	if {[llength $histlist] == 0} {
2077	set hist {}
2078	foreach n $expgui(curhist) {
2079	lappend hist [lindex $expmap(powderlist) $n]
2080	}
2081	} else {
2082	set hist $histlist
2083	}
2084	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2085	-side top -expand yes -fill both
2086	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2087	-bg beige] \
2088	-row 0 -column 0 -columnspan 10
2089	grid [entry $w.0.b -textvariable expgui(temp)] \
2090	-row 1 -column 0
2091
2092
2093	pack [frame $w.b] -side top
2094	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2095	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2096	bind $w <Return> "destroy $w"
2097
2098	# force the window to stay on top
2099	putontop $w
2100	focus $w.b.2
2101	tkwait window $w
2102	afterputontop
2103
2104	if {$expgui(temp) != ""} {
2105	foreach h $hist {
2106	if {$cmd == "histinfo"} {
2107	histinfo $h $variable set $expgui(temp)
2108	incr expgui(changed)
2109	if $expgui(debug) {
2110	puts "histinfo $h $variable set $expgui(temp)"
2111	}
2112	} elseif {$cmd == "hapinfo"} {
2113	hapinfo $h $phase $variable set $expgui(temp)
2114	incr expgui(changed)
2115	if $expgui(debug) {
2116	puts "hapinfo $phase $h $variable set $expgui(temp)"
2117	}
2118	} else {
2119	error "$cmd unimplemented"
2120	}
2121	}
2122	}
2123	}
2124
2125	proc EditProfile {title histlist phaselist} {
2126	global expgui expmap entrycmd
2127	set w .back
2128	catch {destroy $w}
2129	toplevel $w -bg beige
2130	wm title $w "Global Edit Profile"
2131	set hist [lindex $histlist 0]
2132	set phase [lindex $phaselist 0]
2133	set ptype [string trim [hapinfo $hist $phase proftype]]
2134	set htype [string range $expmap(htype_$hist) 2 2]
2135	set nterms [hapinfo $hist $phase profterms]
2136
2137	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2138	] -side top -expand yes -fill both
2139	grid [label $w.0.a \
2140	-text "Setting profile terms: $title" \
2141	-bg beige] -row 0 -column 0 -columnspan 10
2142	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2143
2144	# number of terms
2145	# set expgui(backtype) [histinfo $hist backtype]
2146	# set expgui(orig_backtype) $expgui(backtype)
2147	# set expgui(prev_backtype) $expgui(backtype)
2148	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2149	# grid $w.0.type -row 1 -column 1
2150
2151	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2152	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2153	set entrylist {}
2154	lappend entrylist "pcut $w.0.d"
2155
2156	set col -1
2157	set row 1
2158	set lbls $expgui(prof-$htype-$ptype)
2159	# for type 4, add extra terms depending on the cell type
2160	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2161	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2162	] -side top -expand yes -fill both
2163	for { set num 1 } { $num <= $nterms } { incr num } {
2164	set term {}
2165	catch {set term [lindex $lbls $num]}
2166	if {$term == ""} {set term $num}
2167	incr col
2168	grid [label $w.1.l${num} -text "$term" -bg beige] \
2169	-row $row -column $col
2170	incr col
2171	grid [entry $w.1.ent${num} \
2172	-width 14] -row $row -column $col
2173	lappend entrylist "pterm$num $w.1.ent${num}"
2174	if {$col > 6} {set col -1; incr row}
2175	}
2176	pack [frame $w.b] -side top
2177	pack [button $w.b.2 -text Set \
2178	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2179	[list $histlist] $w"] -side left
2180	pack [button $w.b.3 -text Quit \
2181	-command "QuitEditProfile $w [list $entrylist]"] -side left
2182	bind $w <Return> "destroy $w"
2183
2184	# force the window to stay on top
2185	putontop $w
2186	focus $w.b.2
2187	tkwait window $w
2188	afterputontop
2189	}
2190
2191	proc SetEditProfile {entrylist phaselist histlist w} {
2192	global expgui
2193	foreach item $entrylist {
2194	set value [ [lindex $item 1] get ]
2195	if {$value != ""} {
2196	hapinfo $histlist $phaselist [lindex $item 0] set $value
2197	incr expgui(changed)
2198	if $expgui(debug) {
2199	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2200	}
2201	}
2202	}
2203	destroy $w
2204	}
2205
2206	proc QuitEditProfile {w entrylist} {
2207	global expgui
2208	# lets find out if anything changed
2209	set changed 0
2210	foreach item $entrylist {
2211	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2212	}
2213	if $changed {
2214	set decision [tk_dialog .changes "Abandon Changes" \
2215	"You have made changes to the Profile. Ok to abandon changes?" \
2216	warning 0 Abandon Keep]
2217	if !$decision {destroy $w}
2218	} else {
2219	destroy $w
2220	}
2221	}
2222
2223	##############################################################################
2224	## #############################################
2225	## END OF THE PROCEDURES SECTION #############################################
2226	## #############################################
2227	##############################################################################
2228
2229	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2230	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2231	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2232	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2233	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2234	# A frame for menu items at top of display
2235	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2236	# Pack the menu frame.
2237	pack $expgui(fm) -fill x -side top -anchor n
2238
2239	# create a button bar
2240	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2241
2242	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2243	# & LS controls
2244	if $expgui(havetix) {
2245	pack [tixNoteBook .n] -expand yes -fill both
2246	.n add lsPane -label "LS Controls" -underline 0
2247	.n pageconfigure lsPane -raisecmd \
2248	"set expgui(pagenow) lsFrame; SetupExtractHist"
2249	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2250	.n add phasePane -label "Phase" -underline 0
2251	.n pageconfigure phasePane -raisecmd \
2252	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2253	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2254	.n add histPane -label "Histogram" -underline 0
2255	.n pageconfigure histPane -raisecmd \
2256	"set expgui(pagenow) histFrame; DisplayHistogram"
2257	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2258	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2259	.n add fracPane -label "Scaling" -underline 6
2260	.n pageconfigure fracPane -raisecmd \
2261	"set expgui(pagenow) fracFrame; DisplayFrac"
2262	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2263	.n add profPane -label Profile -underline 1
2264	.n pageconfigure profPane -raisecmd \
2265	"set expgui(pagenow) profFrame; DisplayProfile"
2266	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2267	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2268	# Finding the pathname to the subwidget frames.
2269	set expgui(phaseFrame) [.n subwidget phasePane]
2270	set expgui(histFrame) [.n subwidget histPane]
2271	set expgui(fracFrame) [.n subwidget fracPane]
2272	set expgui(profFrame) [.n subwidget profPane]
2273	set expgui(lsFrame) [.n subwidget lsPane]
2274	} else {
2275	pack [frame .frmbar] -side top -anchor w
2276	pack [frame .n] -anchor w -fill both -expand yes
2277	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2278	page {"LS Controls" Phase Histogram Scaling Profile } {
2279	pack [button .frmbar.$item -text $page -bd 2 \
2280	-command "RaisePage $item"] -side left
2281	set expgui($item) [frame .n.$item -relief flat]
2282	}
2283	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2284	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2285	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2286	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2287	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2288	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2289	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2290	}
2291
2292	# this is used in the non-tix notebook to bring up the selected frame
2293	proc RaisePage {nextpage} {
2294	global expgui
2295	set expgui(pagenow) $nextpage
2296	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2297	if {$item == $nextpage} {
2298	.frmbar.$item config -relief flat
2299	} else {
2300	.frmbar.$item config -relief raised
2301	}
2302	}
2303	# forget all other pages
2304	foreach child [pack slaves .n] {
2305	pack forget $child
2306	}
2307	pack .n.$nextpage -anchor w -fill both -expand yes
2308	foreach set $expgui(frameactionlist) {
2309	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2310	}
2311	}
2312	#----------------------------------------------------------------------------
2313	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2314	# Setup major frames here
2315	frame $expgui(phaseFrame).top
2316	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2317	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2318	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2319	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2320	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2321
2322	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2323	grid $frameLatt -sticky news -row 2 -column 0
2324	grid $fbig -sticky news -row 3 -column 0
2325	# give extra space to the atoms box
2326	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2327	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2328	grid $frame3 -sticky news -row 4 -column 0
2329	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2330	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2331	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2332	# this is where the buttons will go
2333	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2334
2335	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2336	-fg blue ] -column 1 -row 0 -sticky e
2337	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2338	-fg blue -width 45] -column 2 -row 0 -sticky e
2339	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2340	# ------------- Lattice Parameter Box ------------------
2341	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2342	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2343	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2344	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2345	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2346	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2347	set l1 [label $frameLatt.l1 -text "a"]
2348	set l2 [label $frameLatt.l2 -text "b"]
2349	set l3 [label $frameLatt.l3 -text "c"]
2350	set l4 [label $frameLatt.l4 -text a -font symbol]
2351	set l5 [label $frameLatt.l5 -text b -font symbol]
2352	set l6 [label $frameLatt.l6 -text g -font symbol]
2353	grid $e1 -column 1 -row 0 -padx 5
2354	grid $e2 -column 3 -row 0 -padx 5
2355	grid $e3 -column 5 -row 0 -padx 5
2356	grid $e4 -column 1 -row 1 -padx 5
2357	grid $e5 -column 3 -row 1 -padx 5
2358	grid $e6 -column 5 -row 1 -padx 5
2359	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2360	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2361	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2362	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2363	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2364	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2365
2366	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2367	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2368	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2369	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2370	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2371	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2372	if [file executable $expgui(exptool)] {
2373	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2374	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2375	grid columnconfig $frameLatt 0 -weight 1
2376	}
2377	#-------------- Begin Atom Coordinates Box ---------------------------------
2378	grid [listbox $fbig.title -height 1 -relief flat] \
2379	-row 0 -column 0 -sticky ew
2380	set expgui(atomtitle) $fbig.title
2381	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2382	grid [listbox $fbig.lbox -height 10 \
2383	-xscrollcommand " $fbig.bscr set"\
2384	-yscrollcommand " $fbig.rscr set"\
2385	] -row 1 -column 0 -sticky news
2386	set expgui(atomlistbox) $fbig.lbox
2387	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2388	grid [scrollbar $fbig.bscr -orient horizontal \
2389	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2390	] -row 2 -column 0 -sticky ew
2391	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2392	] -row 1 -column 1 -sticky ns
2393	# give extra space to the atoms box
2394	grid columnconfigure $fbig 0 -weight 1
2395	grid rowconfigure $fbig 1 -weight 1
2396
2397	proc move2boxes {boxlist args} {
2398	foreach listbox $boxlist {
2399	eval $listbox xview $args
2400	}
2401	}
2402	# BIND mouse in editbox
2403	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2404	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2405
2406	#-------------- End Atoms Section ---------------------------------
2407
2408	# --------------------------- Begin Edit Box -------------------------------
2409	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2410	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2411	if [file executable $expgui(exptool)] {
2412	button $frame3.newa -text "Add New Atom" \
2413	-command {MakeAddAtomsBox $expgui(curPhase)}
2414	grid $frame3.newa -column 11 -row 0
2415	}
2416
2417	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2418	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2419
2420	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2421	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2422	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2423	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2424	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2425	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2426
2427	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2428	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2429
2430	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2431	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2432	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2433	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2434	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2435	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2436	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2437	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2438	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2439
2440	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2441	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2442
2443	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2444	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2445
2446	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2447	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2448	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2449	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2450	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2451	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2452	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2453	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2454	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2455	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2456
2457	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2458	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2459	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2460	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2461	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2462	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2463	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2464	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2465
2466
2467	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2468	grid $f3f31 -column 0 -row 7 -columnspan 12
2469	set expgui(anisolabels) {}
2470	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2471	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2472	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2473	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2474	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2475	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2476
2477	set expgui(anisoentry) {}
2478	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2479	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2480	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2481	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2482	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2483	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2484
2485	set col 0
2486	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2487	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2488	incr col
2489	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2490	incr col
2491	}
2492	# --------------------------- End Edit Box --------------------------------
2493
2494	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2495	#-----------------------------------------------------------------------------
2496	#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 v v
2497	grid [frame $expgui(histFrame).hs] \
2498	-column 0 -row 0 -rowspan 10 -sticky nsew
2499	grid columnconfigure $expgui(histFrame) 0 -weight 1
2500	grid rowconfigure $expgui(histFrame) 1 -weight 1
2501	grid rowconfigure $expgui(histFrame) 2 -weight 1
2502	grid rowconfigure $expgui(histFrame) 3 -weight 1
2503	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2504	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2505	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2506	-font $expgui(histfont) \
2507	-xscrollcommand "$expgui(histFrame).hs.x set" \
2508	-yscrollcommand "$expgui(histFrame).hs.y set" \
2509	] -row 1 -column 0 -sticky news
2510	lappend expgui(HistSelectList) $expgui(histFrame).hs
2511	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2512	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2513	] -row 2 -column 0 -sticky ew
2514	grid [scrollbar $expgui(histFrame).hs.y \
2515	-command "$expgui(histFrame).hs.lbox yview"] \
2516	-row 1 -column 1 -sticky ns
2517	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2518	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2519	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2520	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2521	DisplayHistogram
2522	}
2523	bind $expgui(histFrame).hs.lbox <Button-3> {
2524	if $expgui(globalmode) {
2525	$expgui(histFrame).hs.lbox selection set 0 end
2526	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2527	DisplayHistogram
2528	}
2529	}
2530
2531
2532	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2533	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2534	if $expgui(havetix) {
2535	foreach item {backBox diffBox} num {2 3} \
2536	title {Background "Diffractometer Constants"} {
2537	tixLabelFrame $expgui(histFrame).$item \
2538	-borderwidth 4 -width 600 -height 100 -label $title
2539	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2540	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2541	}
2542	} else {
2543	foreach item {backBox diffBox} num {1 2} \
2544	title {Background "Diffractometer Constants"} {
2545	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2546	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2547	set expgui($item) $expgui(histFrame).$item
2548	grid [label $expgui(histFrame).$item.title -text $title] \
2549	-row 0 -column 0 -columnspan 10 -sticky nw
2550	}
2551	}
2552	if [file executable $expgui(exptool)] {
2553	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2554	grid $expgui(histFrame).newh -column 1 -row 6
2555	}
2556
2557	# BACKGROUND information.
2558	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2559	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2560	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2561	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2562	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2563	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2564	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2565	-command editbackground] \
2566	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2567	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2568	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2569	-row 2 -column 1 -sticky news -padx 4 -pady 3
2570	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2571	-variable entryvar(bref) ] \
2572	-row 2 -column 2 -sticky news -padx 4 -pady 3
2573	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2574	-row 2 -column 3 -sticky w -padx 2 -pady 3
2575	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2576	grid $expgui(backBox).f1.om \
2577	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2578
2579	# DIFFRACTOMETER CONSTANTS SECTION
2580
2581	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2582	###############################################################################
2583	#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
2584
2585	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2586	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2587	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2588	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2589	-font $expgui(histfont) \
2590	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2591	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2592	] -row 1 -column 0 -sticky news
2593	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2594	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2595	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2596	] -row 2 -column 0 -sticky ew
2597	grid [scrollbar $expgui(fracFrame).hs.y \
2598	-command "$expgui(fracFrame).hs.lbox yview"] \
2599	-row 1 -column 1 -sticky ns
2600	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2601	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2602	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2603	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2604	DisplayFrac
2605	}
2606	bind $expgui(fracFrame).hs.lbox <Button-3> {
2607	if $expgui(globalmode) {
2608	$expgui(fracFrame).hs.lbox selection set 0 end
2609	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2610	DisplayFrac
2611	}
2612	}
2613	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2614	# Create a large canvas area containing a frame for each phase in the data set.
2615	# The canvas and vertical scrollbar are inside a frame called f1
2616	if $expgui(havetix) {
2617	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2618	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2619	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2620	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2621	} else {
2622	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2623	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2624	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2625	}
2626	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2627	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2628	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2629	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2630	button $expgui(scaleBox).but1 -text "Set Globally" \
2631	-command "editglobalparm histinfo scale {Scale Factor}"
2632
2633	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2634	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2635	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2636	-row 1 -column 3 -sticky news -padx 4 -pady 3
2637	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2638	-row 1 -column 4 -sticky w -padx 2 -pady 3
2639	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2640	grid $expgui(scaleBox).om \
2641	-row 1 -column 5 -sticky news -padx 4 -pady 3
2642	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2643
2644	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2645	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2646	-sticky news -row 1 -column 0
2647	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2648	-sticky ns -row 1 -column 1
2649
2650	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2651	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2652
2653	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2654	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2655	frame $expgui(FracBox).f -bd 0
2656	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2657
2658	# the rest of the page is created in DisplayFrac
2659	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2660	###############################################################################
2661	# 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 v v
2662	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2663	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2664	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2665	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2666	-font $expgui(histfont) \
2667	-xscrollcommand "$expgui(profFrame).hs.x set" \
2668	-yscrollcommand "$expgui(profFrame).hs.y set" \
2669	] -row 1 -column 0 -sticky news
2670	lappend expgui(HistSelectList) $expgui(profFrame).hs
2671	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2672	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2673	] -row 2 -column 0 -sticky ew
2674	grid [scrollbar $expgui(profFrame).hs.y \
2675	-command "$expgui(profFrame).hs.lbox yview"] \
2676	-row 1 -column 1 -sticky ns
2677	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2678	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2679	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2680	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2681	DisplayProfile
2682	}
2683	bind $expgui(profFrame).hs.lbox <Button-3> {
2684	if $expgui(globalmode) {
2685	$expgui(profFrame).hs.lbox selection set 0 end
2686	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2687	DisplayProfile
2688	}
2689	}
2690
2691	# Create a large canvas area containing a frame for each phase in the data set.
2692	# The canvas and vertical scrollbar are inside a frame called f1
2693	pack [frame $expgui(profFrame).f1] -fill both -expand true
2694	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2695	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2696	-sticky news -row 0 -column 0
2697	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2698	-sticky ns -row 0 -column 1
2699
2700	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2701	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2702
2703	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2704	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2705	frame $expgui(ProfileBox).f -bd 0
2706	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2707
2708	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2709	##############################################################################
2710	# 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
2711	array set printopts {
2712	0 "Print the reciprocal metric tensor changes"
2713	1 "Print the correlation matrix"
2714	2 "Print the Least-Squares matrices and vectors"
2715	4 "Print the linear constraint matrices"
2716	5 "Print the applied shifts and shift factors"
2717	6 "Print the reciprocal metric tensor Var-Covar terms"
2718	7 "Print all parameters for each cycle"
2719	8 "Print summary shift/esd data after last cycle"
2720	9 "Print zero/unit pole figure constraint terms"
2721	}
2722	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2723	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2724	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2725	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2726	-font $expgui(histfont) \
2727	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2728	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2729	] -row 1 -column 0 -sticky news
2730	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2731	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2732	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2733	] -row 2 -column 0 -sticky ew
2734	grid [scrollbar $expgui(lsFrame).hs.y \
2735	-command "$expgui(lsFrame).hs.lbox yview"] \
2736	-row 1 -column 1 -sticky ns
2737	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2738	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2739	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2740	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2741	SetupExtractHist
2742	}
2743	bind $expgui(lsFrame).hs.lbox <Button-3> {
2744	if $expgui(globalmode) {
2745	$expgui(lsFrame).hs.lbox selection set 0 end
2746	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2747	SetupExtractHist
2748	}
2749	}
2750
2751	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2752	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2753	set row 0
2754	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2755	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2756	-textvariable expgui(last_History)] \
2757	-row $row -column 1 -columnspan 5 -sticky w
2758	incr row
2759	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2760	grid [entry $expgui(lsFrame).f1.tit2 \
2761	-textvariable entryvar(title) -width 48] \
2762	-row $row -column 1 -columnspan 5 -sticky w
2763	set entrycmd(title) "expinfo title"
2764
2765	incr row
2766	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2767	-row $row -column 0 -columnspan 2 -pady 3
2768	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2769	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2770	-textvariable entryvar(cycles)] -row 0 -column 1
2771	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2772	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2773	] -row $row -column 2
2774	menu $expgui(lsFrame).f1.lprint.menu
2775	foreach num [lsort [array names printopts]] {
2776	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2777	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2778	-variable entryvar(printopt$num)
2779	}
2780	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2781	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2782	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2783	incr row
2784	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2785	foreach num {1 2 3 4 5 6 7 8 9} {
2786	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2787	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2788	-command "HistExtractSet $num" \
2789	-variable expgui(Fextract$num) -value 0] \
2790	-row 2 -column $num
2791	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2792	-command "HistExtractSet $num" \
2793	-variable expgui(Fextract$num) -value 1] \
2794	-row 3 -column $num
2795	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2796	# -command "HistExtractSet $num" \
2797	# -variable expgui(Fextract$num) -value 2] \
2798	# -row 4 -column $num
2799	}
2800	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2801	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2802	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2803
2804	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2805	-column 0 -columnspan 11 -row 0
2806	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2807	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2808	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2809	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2810	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2811	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2812	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2813	#-------------------------------------------------------------------------
2814	#-------------------------------------------------------------------------
2815	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2816
2817	#---- file menu button
2818	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2819	menu $expgui(fm).file.menu
2820	if $expgui(debug) {
2821	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2822	-command "reset"
2823	}
2824	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2825	-command readnewexp
2826	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2827	-command savearchiveexp
2828	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2829	-command "SaveAsFile"
2830	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2831	-command {rereadexp $expgui(expfile)}
2832	#$expgui(fm).file.menu add command -label "Close" -underline 0
2833
2834	#---- help menu button
2835	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2836	menu $expgui(fm).help.menu
2837	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2838	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2839
2840	#---- options menu button
2841	menubutton $expgui(fm).option -text Options -underline 0 \
2842	-menu $expgui(fm).option.menu
2843	menu $expgui(fm).option.menu
2844
2845	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2846	-variable expgui(archive) -underline 0
2847
2848	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2849	-label "Sort atoms by"
2850
2851	set expgui(asorttype) number
2852	menu $expgui(fm).option.menu.asort
2853	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2854	-label number -value number -variable expgui(asorttype)
2855	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2856	-label type -value type -variable expgui(asorttype)
2857	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2858	-label x -value x -variable expgui(asorttype)
2859	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2860	-label y -value y -variable expgui(asorttype)
2861	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2862	-label z -value z -variable expgui(asorttype)
2863
2864
2865	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2866	-label "Sort histograms by"
2867
2868	set expgui(hsorttype) number
2869	menu $expgui(fm).option.menu.hsort
2870	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2871	-label number -value number -variable expgui(hsorttype)
2872	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2873	-label "Histogram type" -value type -variable expgui(hsorttype)
2874	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2875	-label "Bank #" -value bank -variable expgui(hsorttype)
2876	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2877	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2878
2879	#---- Global mode menu button
2880	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2881	-label "Multiple hist. selection"
2882	menu $expgui(fm).option.menu.editmode
2883	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2884	-variable expgui(globalmode) -underline 0 -value 0\
2885	-command sethistlist
2886	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2887	-variable expgui(globalmode) -underline 0 -value 6 \
2888	-command sethistlist
2889	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2890	-variable expgui(globalmode) -underline 0 -value 1 \
2891	-command sethistlist
2892	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2893	-variable expgui(globalmode) -underline 0 -value 2 \
2894	-command sethistlist
2895	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2896	-variable expgui(globalmode) -underline 0 -value 3 \
2897	-command sethistlist
2898	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2899	-variable expgui(globalmode) -underline 0 -value 4 \
2900	-command sethistlist
2901	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2902	-variable expgui(globalmode) -underline 0 -value 5 \
2903	-command sethistlist
2904	set expgui(globalmode) 0
2905
2906	if {$tcl_platform(platform) != "windows"} {
2907	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2908	-variable env(GSASBACKSPACE)
2909	}
2910	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
2911	-variable expgui(autoexpload)
2912
2913	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2914	-command "SaveOptions"
2915
2916	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2917
2918	foreach menu $expgui(menunames) {
2919	set m [string tolower $menu]
2920	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2921	-menu $expgui(fm).$m.menu] -side left
2922	menu $expgui(fm).$m.menu
2923	}
2924	pack $expgui(fm).help -side right -in $expgui(fm)
2925
2926	# add the commands in expgui_menulist
2927	foreach menu [array names expgui_menulist ] {
2928	foreach cmd $expgui_menulist($menu) {
2929	set action {}
2930	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2931	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2932	if {$action != "" && $action != "-"} {
2933	eval $expgui(fm).$menu.menu add command \
2934	-label $cmd -command [list [subst $action]]
2935	}
2936	}
2937	}
2938	# setup command help
2939	foreach cmd [array names expgui_cmdlist] {
2940	set help {}
2941	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2942	if {$help == ""} {
2943	if {$expgui(debug)} {puts "no help for $cmd"}
2944	} else {
2945	# remove
2946	regsub -all \x09 $help " " help
2947	# preserve blank lines
2948	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2949	regsub -all \x0A $help " " help
2950	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2951	regsub -all " +" $help " " help
2952	set expgui_helplist($cmd) [string trim $help]
2953	}
2954	}
2955	# set up button bar
2956	foreach cmd $expgui(buttonlist) {
2957	set action {}
2958	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2959	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2960	if {$action != ""} {
2961	pack [eval button .bar.$cmd -bg beige \
2962	-text $cmd -command [list [subst $action]]] -side left
2963	}
2964	}
2965
2966	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2967	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2968
2969
2970	# handle indirect exits
2971	wm protocol . WM_DELETE_WINDOW catchQuit
2972	bind . <Control-c> catchQuit
2973
2974	set expgui(curPhase) ""
2975	set expgui(pagenow) ""
2976	set expgui(curhist) {}
2977	set expgui(selectedatomlist) {}
2978
2979	loadexp $expgui(expfile)
2980
2981	# select the 1st phase
2982	SelectOnePhase [lindex $expmap(phaselist) 0]
2983	# select the first histogram in the list by default (if there are any)
2984	if {[llength $expmap(histlistboxcontents)] > 0} {
2985	set expgui(curhist) 0
2986	} else {
2987	set expgui(curhist) {}
2988	}
2989
2990	if !$expgui(havetix) {
2991	RaisePage lsFrame
2992	} else {
2993	.n raise lsPane
2994	set expgui(pagenow) lsFrame
2995	}

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