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source: trunk/expgui @ 112

Last change on this file since 112 was 112, checked in by toby, 14 years ago

# on 1999/10/11 19:48:35, toby did:
cleanup multiple histogram selection -> single histogram transition

rewrite global profile display code to group or not group phases together

Property rcs:author set to toby
Property rcs:date set to 1999/10/11 19:48:35
Property rcs:lines set to +80 -48
Property rcs:rev set to 1.19
Property rcs:state set to Exp
Property svn:keywords set to Author Date Revision Id

File size: 109.1 KB

Line
1	#!/usr/local/bin/wish
2	# $Id: expgui 112 2009-12-04 23:00:36Z toby $
3	set expgui(Revision) {$Revision: 112 $ $Date: 2009-12-04 23:00:36 +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	expload $expfile
185	set expgui(changed) 0
186	mapexp
187	set expgui(expModifiedLast) [file mtime $expfile]
188	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
189	# set the window/icon title
190	wm title . $expfile
191	set expgui(titleunchanged) 1
192	wm iconname . [file tail $expfile]
193
194	# set the number of phases on the phase page
195	setphases
196
197	# disable the "global options" that don't make sense based
198	# on the histograms present
199	foreach num {1 2 3 4 5} {
200	set flag($num) 0
201	}
202	foreach h $expmap(powderlist) {
203	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
204	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
205	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
206	[histinfo $h lam2] != 0.0} {set flag(3) 1}
207	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
208	[histinfo $h lam2] == 0.0} {set flag(4) 1}
209	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
210	}
211	foreach num {1 2 3 4 5} \
212	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
213	"Energy Disp Xray"} {
214	if $flag($num) {
215	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
216	} else {
217	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
218	}
219	}
220	# disable traces on entryvar until we are ready
221	set entrycmd(trace) 0
222
223	# propogate changes on the least squares page
224	set entryvar(cycles) [expinfo cycles]
225	set entrycmd(cycles) "expinfo cycles"
226	# set expgui(globalmode) 0
227	set expgui(printopt) "Print Options ([expinfo print])"
228	set entryvar(title) [expinfo title]
229	global printopts
230	foreach num [array names printopts] {
231	set entrycmd(printopt$num) "printsetting $num"
232	set entryvar(printopt$num) [printsetting $num]
233	}
234	# enable traces on entryvar
235	set entrycmd(trace) 1
236	# set fo extaction on LS page
237	SetupExtractHist
238
239	# update the histogram list & the page, if shown
240	sethistlist
241
242	# update the atoms display
243	# DisplayAllAtoms noreset
244	SelectOnePhase $expgui(curPhase)
245
246	# start checking for external changes
247	afterawhile
248	}
249
250	# called to reread the .EXP file
251	proc rereadexp {expfile} {
252	global expgui
253	if $expgui(changed) {
254	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
255	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
256	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
257	switch $decision {
258	0 { savearchiveexp }
259	1 { }
260	2 { return }
261	}
262	}
263	loadexp $expgui(expfile)
264	}
265
266	proc SaveAsFile {} {
267	global expgui
268	set newexpfile [getExpFileName new]
269	if {$newexpfile == ""} return
270	expwrite $newexpfile
271	set expgui(expfile) $newexpfile
272	catch {cd [string trim [file dirname $expgui(expfile)]]}
273	set expgui(changed) 0
274	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
275	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
276	# set the window/icon title
277	wm title . $expgui(expfile)
278	set expgui(titleunchanged) 1
279	wm iconname . [file tail $expgui(expfile)]
280	}
281
282	# called to read a different .EXP file
283	proc readnewexp {} {
284	global expgui expmap
285	if $expgui(changed) {
286	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
287	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
288	{} 0 "Save and read" "Read without Save" "Cancel read command"]
289	switch $decision {
290	0 { savearchiveexp }
291	1 { }
292	2 { return }
293	}
294	}
295	set newexpfile [getExpFileName old]
296	if {$newexpfile == ""} return
297
298	if ![file exists $newexpfile] {
299	# you've been warned this .EXP does not exist!
300	# create an "empty" exp file
301	createexp $newexpfile \
302	[getstring "title for experiment $newexpfile" 60 0]
303	}
304	set expgui(expfile) $newexpfile
305	catch {cd [string trim [file dirname $expgui(expfile)]]}
306	set expgui(globalmode) 0
307	loadexp $expgui(expfile)
308
309	# select the 1st phase
310	SelectOnePhase [lindex $expmap(phaselist) 0]
311	# select the first histogram in the list by default (if there are any)
312	if {[llength $expmap(histlistboxcontents)] > 0} {
313	set expgui(curhist) 0
314	} else {
315	set expgui(curhist) {}
316	}
317	if !$expgui(havetix) {
318	RaisePage lsFrame
319	} else {
320	.n raise lsPane
321	set expgui(pagenow) lsFrame
322	}
323	}
324
325	#------------- set up data read/write layer ----------------------
326	# trace routine on entryvar
327	proc entvartrace {array elem action} {
328	global expgui entrycmd entryvar
329	if !$entrycmd(trace) return
330
331	catch {
332	if {$entrycmd($elem) == ""} return
333	incr expgui(changed)
334	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
335	if {$entrycmd($elem) == ""} return
336	if [catch {
337	eval $entrycmd($elem) set [list $entryvar($elem)]
338	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
339	after idle {DisplayAllAtoms noreset}
340	}
341	} errmsg] {puts "entvartrace error: $errmsg"}
342	}
343	}
344
345	# disable traces on entryvar until we are ready
346	set entrycmd(trace) 0
347	trace variable entryvar w entvartrace
348
349	#
350	#
351	#
352	##############################################################################
353	##### #####################################################
354	##### PROCEDURES SECTION #####################################################
355	##### #####################################################
356	##############################################################################
357	# reset routine is used for debugging
358	proc reset {} {
359	global expgui script argv
360	set script $expgui(script)
361	set argv $expgui(expfile)
362	# remove traces
363	global entryvar
364	foreach cmd [trace vinfo entryvar] {
365	eval trace vdelete entryvar $cmd
366	}
367	global expgui
368	foreach cmd [trace vinfo expgui(backterms)] {
369	eval trace vdelete entryvar $cmd
370	}
371	foreach cmd [trace vinfo expgui(backtype)] {
372	eval trace vdelete entryvar $cmd
373	}
374	foreach a {
375	exparray expmap expgui entryvar entrycmd
376	expgui_menulist expgui_cmdlist expgui_helplist
377	} {
378	global $a
379	catch {unset $a}
380	}
381	foreach w [winfo children .] {
382	destroy $w
383	}
384
385	uplevel #0 {source $script}
386	}
387
388	# save some of the global options in ~/.gsas_config
389	proc SaveOptions {} {
390	global expgui env tcl_platform
391	set fp [open [file join ~ .gsas_config] a]
392	puts $fp "set expgui(archive) $expgui(archive)"
393	puts $fp "set expgui(asorttype) $expgui(asorttype)"
394	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
395	puts $fp "set expgui(filesort) $expgui(filesort)"
396	if {$tcl_platform(platform) != "windows"} {
397	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
398	}
399	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
400	close $fp
401	}
402
403	proc About { } {
404	global expgui expmap
405	tk_dialog .about {About...} \
406	"EXPGUI\n\
407	Jonathan Wasserman and Brian Toby\n\
408	NIST Center for Neutron Research\n\n\
409	1998, Not subject to copyright\n\n\
410	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
411	Generalized Structure Analysis System (GSAS)\n\
412	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
413	" \
414	info 0 OK
415	}
416
417	# wait until idle
418	proc afterawhile {} {
419	# cancel any other instances of this loop
420	after cancel afterawhile
421	after cancel whenidle
422	after cancel whenidle
423	after idle whenidle
424	}
425
426	proc whenidle {} {
427	global expgui
428	if $expgui(titleunchanged) {
429	if {$expgui(changed) != 0} {
430	wm title . "$expgui(expfile) (modified)"
431	set expgui(titleunchanged) 0
432	}
433	}
434	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast) && \
435	$expgui(expModifiedLast) != 0} {
436	if {$expgui(changed) == 0} {
437	set ans [tk_dialog .expFileErrorMsg "Reload?" \
438	"File [file tail $expgui(expfile)] has been modified by another program. \
439	Do you want to load the newer version or lose the modifications \
440	by editing the current version?" \
441	warning 0 "Load new" "Continue editing"]
442	} else {
443	set ans [tk_dialog .expFileErrorMsg "Reload?" \
444	"File [file tail $expgui(expfile)] has been modified by another program \
445	and you have made $expgui(changed) changes to this version. \
446	Do you want to load the newer version or lose the modifications \
447	by continuing to edit the current version?" \
448	warning 0 "Load new" "Continue editing" "Save edited version"]
449	}
450	if {$ans == 0} {
451	loadexp $expgui(expfile)
452	} elseif {$ans == 1} {
453	# reset the time to the next version
454	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
455	} elseif {$ans == 2} {
456	savearchiveexp
457	}
458	}
459	after 2000 afterawhile
460	}
461	# -------- called to confirm before exiting
462	proc catchQuit {} {
463	if {[confirmBeforeSave] == "Continue"} {
464	destroy .
465	}
466	}
467	# save the .EXP file before exiting?
468	proc confirmBeforeSave {} {
469	global expgui
470	if !$expgui(changed) {
471	return "Continue"
472	}
473	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
474	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
475	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
476	switch $decision {
477	0 { savearchiveexp; return "Continue" }
478	1 { return "Continue" }
479	2 { return "Cancel" }
480	}
481	}
482
483	proc archiveexp {} {
484	global expgui tcl_platform
485	catch {
486	set expnam [file rootname $expgui(expfile)]
487	if {$tcl_platform(platform) == "windows"} {
488	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
489	# archive w/o pkzip
490	set files [glob -nocomplain ${expnam}!*.EXP]
491	if {$files == ""} {
492	set num -1
493	} else {
494	set file [lindex [lsort -decreasing $files] 0]
495	regexp {!0*([0-9]+)\.EXP} [string toupper $file] a num
496	}
497	set file $expnam![format "%3.3d" [incr num]].EXP
498	file copy $expnam.EXP $file
499	set fp [open $expnam.lst a]
500	puts $fp "\n--------------------------------------------------------------"
501	puts $fp "Archiving $expnam.EXP as $file"
502	puts $fp "--------------------------------------------------------------\n"
503	close $fp
504	} else {
505	# archive with PKZIP
506	# need to limit expnam to 8 characters
507	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
508	# PKZIP can't handle long dir names either
509	cd [set dir [file dirname $expnam]]
510	set num -1
511	# get the versions from the listing
512	if [file exists $sexp.zip] {
513	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
514	while {[gets $fp line] >= 0} {
515	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
516	catch {if {$n > $num} {set num $n}}
517	}
518	close $fp
519	}
520	incr num
521	set file $sexp.[format "%3.3d" $num]
522	file copy -force $expnam.EXP $file
523	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
524	set fp [open $expnam.lst a]
525	puts $fp "\n--------------------------------------------------------------"
526	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
527	puts $fp "--------------------------------------------------------------\n"
528	close $fp
529	}
530	} else {
531	set files [glob -nocomplain $expnam.EXP.*]
532	if {$files == ""} {
533	set file $expnam.EXP.000
534	} else {
535	set file [lindex [lsort -decreasing $files] 0]
536	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
537	incr number
538	set file $expnam.EXP.[format "%3.3d" $number]
539	}
540	exec cp $expgui(expfile) $file
541	if [catch {exec gzip $file}] {
542	exec echo "\n----------------------------------------------" >> $expnam.LST
543	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
544	exec echo "----------------------------------------------\n" >> $expnam.LST
545	} else {
546	exec echo "\n----------------------------------------------" >> $expnam.LST
547	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
548	exec echo "----------------------------------------------\n" >> $expnam.LST
549	}
550	}
551	} errmsg
552	if {$errmsg != ""} {
553	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
554	}
555	}
556
557	# save and optionally archive the expfile
558	proc savearchiveexp {} {
559	global expgui expmap
560	if !$expgui(changed) return
561	if $expgui(archive) archiveexp
562	# add a history record
563	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
564	# now save the file
565	expwrite $expgui(expfile)
566	set expgui(changed) 0
567	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
568	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
569	wm title . $expgui(expfile)
570	set expgui(titleunchanged) 1
571	}
572
573	# set the number of phases on the phase page
574	proc setphases {} {
575	global expgui expmap
576	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
577	foreach num $expmap(phaselist) {
578	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
579	-command "SelectOnePhase $num"] -side left
580	}
581	}
582
583	# Procedure to respond to changes the phase.
584	# This loads the "phases" widgets with data corresponding to the selected phase.
585	proc SelectOnePhase {num} {
586	global entryvar entrycmd expmap expgui
587	foreach n $expmap(phaselist) {
588	if {$n == $num} {
589	$expgui(phaseFrame).top.ps.$num config -relief sunken
590	} else {
591	$expgui(phaseFrame).top.ps.$n config -relief raised
592	}
593	}
594	set crsPhase $num
595	# no phase is selected
596	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
597	# disable traces on entryvar
598	set entrycmd(trace) 0
599	set entrycmd(phasename) ""
600	set entryvar(phasename) ""
601	foreach ent {a b c alpha beta gamma cellref celldamp} {
602	set entrycmd($ent) ""
603	set entryvar($ent) ""
604	}
605	set expgui(curPhase) {}
606	# enable traces on entryvar
607	set entrycmd(trace) 1
608	$expgui(EditingAtoms) config -text ""
609	DisplayAtom 0 0
610	DisplayU 0 0
611	DisplayRefFlags 0 0
612	$expgui(atomlistbox) delete 0 end
613	return
614	}
615
616	set expgui(curPhase) $crsPhase
617	# we have a phase
618
619	# disable traces on entryvar for right now
620	set entrycmd(trace) 0
621
622	##########################################################
623	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
624	##########################################################
625	# phase title
626	set entrycmd(phasename) "phaseinfo $crsPhase name"
627	set entryvar(phasename) [phaseinfo $crsPhase name]
628	# cell parameters & flags
629	foreach ent {a b c alpha beta gamma cellref celldamp} {
630	set entrycmd($ent) "phaseinfo $crsPhase $ent"
631	set entryvar($ent) [phaseinfo $crsPhase $ent]
632	}
633
634	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
635	# initialize to diasbled
636	DisplayAtom 0 0
637	DisplayU 0 0
638	DisplayRefFlags 0 0
639	$expgui(EditingAtoms) config -text ""
640
641	DisplayAllAtoms
642
643	# enable traces on entryvar now
644	set entrycmd(trace) 1
645	}
646
647	set expgui(noreenterDisplayAllAtoms) 0
648	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
649	proc DisplayAllAtoms {"mode reset"} {
650	global entryvar entrycmd expmap expgui
651	# if it does not show, dont bother
652	if {$expgui(pagenow) != "phaseFrame"} return
653	if {$expgui(curPhase) == ""} return
654	if $expgui(noreenterDisplayAllAtoms) return
655
656	set expgui(noreenterDisplayAllAtoms) 1
657	if {$mode != "reset"} {
658	# save the scrolled position
659	set pos [lindex [$expgui(atomlistbox) yview] 0]
660	} else {
661	# this is a reset -- clear the selected atoms list
662	set expgui(selectedatomlist) {}
663	}
664	$expgui(atomlistbox) delete 0 end
665	# loop over atoms
666	set maxline I
667	set phase $expgui(curPhase)
668	set atomlist {}
669	if {$expgui(asorttype) == "type"} {
670	# sort on atom type
671	foreach atom $expmap(atomlist_$phase) {
672	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
673	}
674	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
675	} elseif {$expgui(asorttype) == "number"} {
676	# sort on atom number
677	foreach atom $expmap(atomlist_$phase) {
678	lappend atomlist "$atom $atom $phase"
679	}
680	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
681	} elseif {$expgui(asorttype) == "x"} {
682	# sort on x
683	foreach atom $expmap(atomlist_$phase) {
684	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
685	}
686	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
687	} elseif {$expgui(asorttype) == "y"} {
688	# sort on y
689	foreach atom $expmap(atomlist_$phase) {
690	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
691	}
692	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
693	} elseif {$expgui(asorttype) == "z"} {
694	# sort on z
695	foreach atom $expmap(atomlist_$phase) {
696	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
697	}
698	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
699	} else {
700	error "Bad expgui(asorttype = $expgui(asorttype)"
701	}
702
703	foreach tuple $expmap(atomlistboxcontents) {
704	set atom [lindex $tuple 0]
705	set phase [lindex $tuple 2]
706	set refflag {}
707	foreach type {x u f} {
708	if {[atominfo $phase $atom ${type}ref]} {
709	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
710	} else {
711	append refflag " [atominfo $phase $atom ${type}damp] "
712	}
713	}
714	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
715	$atom \
716	[atominfo $phase $atom label] \
717	[atominfo $phase $atom type] \
718	$refflag \
719	[atominfo $phase $atom x] \
720	[atominfo $phase $atom y] \
721	[atominfo $phase $atom z] \
722	[atominfo $phase $atom frac]
723	]
724	# add temperature factors (iso/anoiso)
725	if {[atominfo $phase $atom temptype] == "A"} {
726	set maxline A
727	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
728	[atominfo $phase $atom U11] \
729	[atominfo $phase $atom U22] \
730	[atominfo $phase $atom U33] \
731	[atominfo $phase $atom U12] \
732	[atominfo $phase $atom U23] \
733	[atominfo $phase $atom U13]
734	]
735	} else {
736	append line [format " %9.5f" \
737	[atominfo $phase $atom Uiso]
738	]
739	}
740	$expgui(atomlistbox) insert end $line
741	}
742	$expgui(atomtitle) delete 0 end
743	if {$maxline == "A"} {
744	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
745	" name " "type " "ref/damp " "fractional coordinates " \
746	" Occupancy" \
747	"Uiso/Uij "]
748	} else {
749	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
750	" name " "type " "ref/damp " "fractional coordinates " \
751	" Occupancy" \
752	"Uiso"]
753	}
754	if {$mode != "reset"} {
755	# restore the selected items
756	foreach i $expgui(selectedatomlist) {
757	$expgui(atomlistbox) selection set $i
758	}
759	# restore the last scrolled position
760	$expgui(atomlistbox) yview moveto $pos
761	}
762	set expgui(noreenterDisplayAllAtoms) 0
763	}
764
765	# Procedure to select all atoms in response to a right-click
766	proc SelectAllAtoms {} {
767	global expgui
768	$expgui(atomlistbox) selection set 0 end
769	# call editRecord in case trace was called before the selection was made
770	editRecord
771	}
772
773	# Procedure to respond to left mouse release in the atoms Pane
774	proc editRecord { args } {
775	global entrycmd expgui
776	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
777	# disable traces on entryvar for right now
778	set entrycmd(trace) 0
779
780	if {[llength $expgui(selectedatomlist)] == 0} {
781	puts "How did this happen: [$expgui(atomlistbox) curselection]"
782	} elseif {[llength $expgui(selectedatomlist)] == 1} {
783	editOneRecord $expgui(selectedatomlist)
784	} else {
785	editMultipleRecords $expgui(selectedatomlist)
786	}
787	# reenable traces on entryvar
788	set entrycmd(trace) 1
789	# repaint the atoms box in case anything was changed
790	# DisplayAllAtoms noreset
791	}
792
793	proc editOneRecord { AtomIndex } {
794	global expmap expgui
795	# get atom number & phase
796	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
797	set atomnum [lindex $tuple 0]
798	set p [lindex $tuple 2]
799	DisplayU $atomnum $p
800	DisplayAtom $atomnum $p
801	DisplayRefFlags $atomnum $p
802	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
803	}
804
805	# this will not work for a multi-phase list of atoms (yet)
806	proc editMultipleRecords { AtomIndexList } {
807	global expmap expgui
808	set numberList {}
809	# current phase
810	set p $expgui(curPhase)
811	foreach AtomIndex $AtomIndexList {
812	# get atom number & phase
813	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
814	lappend numberList [lindex $tuple 0]
815	# set p [lindex $tuple 2]
816	}
817	# this needs to track by phase
818	$expgui(EditingAtoms) config -text \
819	"Set refinement options: atoms [CompressList $numberList]"
820	DisplayU 0 0
821	DisplayAtom 0 0
822	# this needs to track by phase
823	DisplayRefFlags $numberList $p
824	}
825
826	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
827	# becomes "1-4,6,7,13-15,19"
828	proc CompressList {numberList} {
829	# format the number list to save space
830	set lastnum -99
831	set flist {}
832	set count 0
833	foreach num [lsort -integer $numberList] {
834	set next [expr $lastnum+1]
835	if {$num != $next} {
836	if {$count == 0 && $flist != ""} {
837	append flist ",$num"
838	} elseif {$count == 1 && $flist != ""} {
839	append flist ",$lastnum,$num"
840	} elseif {$flist != ""} {
841	append flist "-$lastnum,$num"
842	} else {
843	append flist "$num"
844	}
845	set lastnum $num
846	set count 0
847	} else {
848	incr count
849	incr lastnum
850	}
851	}
852	if {$count == 1 && $flist != ""} {
853	append flist ",$lastnum"
854	} elseif {$flist != "" && $count > 1} {
855	append flist "-$lastnum"
856	}
857	return $flist
858	}
859
860	# Procedure to display Isotropic or Anisotropic temperature factors
861	# Changes the display to one entry widget for Isotropic motion OR
862	# 6 entry widgets for Anisotropic motion in Frame3.
863	# or disables the widet entirly if atom = 0
864	proc DisplayU { atomnum p} {
865	global expgui entryvar entrycmd
866	if {$atomnum == 0} {
867	set iOrA disable
868	} else {
869	set iOrA [atominfo $p $atomnum temptype]
870	}
871
872	set firstbox [lindex $expgui(anisolabels) 0]
873	if { $iOrA == "A" } {
874	$firstbox config -text "U11 "
875	foreach item $expgui(anisolabels) {
876	$item config -fg black
877	}
878	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
879	set entrycmd($var) "atominfo $p $atomnum $var"
880	set entryvar($var) [eval $entrycmd($var)]
881	$item config -fg black -state normal -bg white
882	}
883	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
884	foreach item $expgui(anisolabels) {
885	# $item config -fg grey
886	$item config -fg beige
887	}
888	foreach item [lrange $expgui(anisoentry) 1 end] \
889	var {U22 U33 U12 U13 U23} {
890	set entrycmd($var) ""
891	set entryvar($var) ""
892	$item config -fg beige -bg beige -state disabled
893	}
894	if { $iOrA == "disable"} {
895	set entrycmd($var) ""
896	set entryvar($var) ""
897	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
898	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
899	} else {
900	set entrycmd(U11) "atominfo $p $atomnum Uiso"
901	set entryvar(U11) [eval $entrycmd(U11)]
902	$firstbox config -text Uiso -fg black
903	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
904	}
905	}
906	}
907
908	# need to think about multiple phases
909
910	# Procedure to display refinement flags
911	proc DisplayRefFlags { atomnum p} {
912	global expgui entryvar entrycmd
913	if {$atomnum == 0} {
914	foreach label $expgui(atomreflbl) {
915	$label config -fg beige
916	}
917	foreach entry $expgui(atomref) {
918	$entry config -state disabled -fg beige -bg beige
919	}
920	return
921	}
922	foreach label $expgui(atomreflbl) {
923	$label config -fg black
924	}
925	foreach entry $expgui(atomref) {
926	$entry config -state normal -fg black -bg beige
927	}
928	foreach var {xref uref fref xdamp udamp fdamp} {
929	set entrycmd($var) "atominfo $p [list $atomnum] $var"
930	set entryvar($var) [eval $entrycmd($var)]
931	}
932	}
933
934	# Procedure to display an atom in the atom edit boxes
935	proc DisplayAtom { atomnum p} {
936	global expgui entryvar entrycmd
937	if {$atomnum == 0} {
938	foreach label $expgui(atomlabels) {
939	$label config -fg beige
940	}
941	foreach entry $expgui(atomentry) {
942	$entry config -state disabled -fg beige -bg beige
943	}
944	return
945	}
946	foreach label $expgui(atomlabels) {
947	$label config -fg black
948	}
949	foreach entry $expgui(atomentry) {
950	$entry config -state normal -fg black -bg white
951	}
952	foreach var {x y z label frac } {
953	set entrycmd($var) "atominfo $p $atomnum $var"
954	set entryvar($var) [eval $entrycmd($var)]
955	}
956	}
957
958	# update the histogram list
959	# to do: show histogram ref flags?
960	proc sethistlist {} {
961	global expgui expmap
962	foreach lbox $expgui(HistSelectList) {
963	$lbox.title delete 0 end
964	$lbox.lbox delete 0 end
965	if {$expgui(globalmode) != 0} {
966	$lbox.lbox config -selectmode extended
967	} else {
968	$lbox.lbox config -selectmode browse
969	}
970	}
971	# disable the unallowed pages in all mode
972	if {$expgui(globalmode) == 6} {
973	foreach pair $expgui(GlobalModeAllDisable) {
974	if {$expgui(pagenow) == [lindex $pair 0]} {
975	if !$expgui(havetix) {
976	RaisePage lsFrame
977	} else {
978	.n raise lsPane
979	set expgui(pagenow) lsFrame
980	}
981	}
982	eval [lindex $pair 1] -state disabled
983	}
984	} else {
985	foreach pair $expgui(GlobalModeAllDisable) {
986	eval [lindex $pair 1] -state normal
987	}
988	}
989	set histlist {}
990	if {$expgui(hsorttype) == "type"} {
991	# sort on histogram type
992	foreach h [lsort -integer -increasing $expmap(powderlist)] {
993	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
994	}
995	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
996	} elseif {$expgui(hsorttype) == "number"} {
997	# sort on histogram number
998	foreach h [lsort -integer -increasing $expmap(powderlist)] {
999	lappend histlist "$h $h"
1000	}
1001	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1002	} elseif {$expgui(hsorttype) == "bank"} {
1003	# sort on original bank number
1004	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1005	lappend histlist "$h [histinfo $h bank]"
1006	}
1007	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1008	} elseif {$expgui(hsorttype) == "angle"} {
1009	# sort on wavelength (CW) or angle (E disp.)
1010	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1011	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1012	set det [format %8.2f [histinfo $h tofangle]]
1013	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1014	set det [format %8.5f [histinfo $h lam1]]
1015	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1016	set det [format %8.2f [histinfo $h lam1]]
1017	} else {
1018	set det {}
1019	}
1020	lappend histlist "$h $det"
1021	}
1022	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1023	}
1024
1025	# title field needs to match longest title
1026	foreach lbox $expgui(HistSelectList) {
1027	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1028	"h#" \
1029	type \
1030	bank \
1031	"ang/wave" \
1032	" title" \
1033	]
1034	}
1035	foreach tuple $expmap(histlistboxcontents) {
1036	set h [lindex $tuple 0]
1037
1038	if {$expgui(globalmode) == 1} {
1039	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1040	} elseif {$expgui(globalmode) == 2} {
1041	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1042	} elseif {$expgui(globalmode) == 3} {
1043	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1044	[histinfo $h lam2] == 0.0} continue
1045	} elseif {$expgui(globalmode) == 4} {
1046	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1047	[histinfo $h lam2] != 0.0} continue
1048	} elseif {$expgui(globalmode) == 5} {
1049	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1050	}
1051
1052	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1053	set det [format %8.2f [histinfo $h tofangle]]
1054	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1055	set det [format %8.5f [histinfo $h lam1]]
1056	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1057	set det [format %8.2f [histinfo $h lam1]]
1058	} else {
1059	set det {}
1060	}
1061	foreach lbox $expgui(HistSelectList) {
1062	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1063	$h \
1064	[string range $expmap(htype_$h) 1 2] \
1065	[histinfo $h bank] \
1066	$det \
1067	[string range [histinfo $h title] 0 66] \
1068	]
1069	}
1070	}
1071	foreach set $expgui(frameactionlist) {
1072	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1073	}
1074	}
1075
1076	#-----------------------------------------------------------------------
1077	# ----------- draw Histogram page
1078	#-----------------------------------------------------------------------
1079	proc DisplayHistogram {} {
1080	global expgui entrycmd entryvar expmap
1081
1082	# trap if more than one histogram is selected unless global mode
1083	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1084	set expgui(curhist) [lindex $expgui(curhist) 0]
1085	}
1086
1087	# display the selected histograms
1088	$expgui(histFrame).hs.lbox selection clear 0 end
1089	foreach h $expgui(curhist) {
1090	$expgui(histFrame).hs.lbox selection set $h
1091	}
1092
1093	# disable traces on entryvar for right now
1094	set entrycmd(trace) 0
1095
1096	# get histogram list
1097	set histlist {}
1098	foreach item $expgui(curhist) {
1099	lappend histlist [lindex $expmap(powderlist) $item]
1100	}
1101	# must have at least one histogram selected here
1102	if {[llength $histlist] == 0} {
1103	set expgui(backtermlbl) ""
1104	set expgui(backtypelbl) ""
1105	foreach var {bref bdamp} {
1106	set entrycmd($var) ""
1107	set entryvar($var) ""
1108	}
1109	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1110	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1111	set expgui(bkglbl) ""
1112	eval destroy [grid slaves $expgui(diffBox)]
1113	set entrycmd(trace) 1
1114	return
1115	}
1116
1117	if {$expgui(globalmode) != 0} {
1118	set expgui(backtermlbl) ""
1119	set expgui(backtypelbl) ""
1120	foreach var {bref bdamp} {
1121	set entrycmd($var) "histinfo [list $histlist] $var"
1122	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1123	}
1124	} else {
1125	set hist $histlist
1126	set terms [histinfo $hist backterms]
1127	set expgui(backtermlbl) "($terms terms)"
1128	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1129	foreach var {bref bdamp} {
1130	set entrycmd($var) "histinfo $hist $var"
1131	set entryvar($var) [eval $entrycmd($var)]
1132	}
1133	}
1134	# Top box
1135	if {$expgui(globalmode) != 0} {
1136	$expgui(histFrame).top.txt config \
1137	-text "Selected Histograms: [CompressList $histlist]"
1138	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1139	set expgui(bkglbl) "Globally Edit Background"
1140	} else {
1141	grid forget $expgui(histFrame).top
1142	set expgui(bkglbl) "Edit Background"
1143	}
1144
1145	# diffractometer constants
1146	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1147	wref pref dcref daref ratref ttref zref } {
1148	set entrycmd($var) "histinfo [list $histlist] $var"
1149	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1150	}
1151
1152	eval destroy [grid slaves $expgui(diffBox)]
1153	if {$expgui(globalmode) == 0} {
1154	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1155	#------
1156	# TOF \|
1157	#------
1158	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1159	-column 1 -row 1
1160	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1161	-column 2 -row 1
1162	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1163	-column 3 -row 1 -sticky w
1164	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1165	-width 15 ] -column 4 -row 1
1166	#
1167	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1168	-column 1 -row 2
1169	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1170	-column 2 -row 2
1171	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1172	-column 3 -row 2
1173	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1174	-width 15 ] -column 4 -row 2
1175	#
1176	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1177	-column 3 -row 3
1178	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1179	-width 15 ] -column 4 -row 3
1180	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1181	-column 1 -row 3 -sticky w
1182	grid [ checkbutton $expgui(diffBox).rfDCzref \
1183	-variable entryvar(zref) ] -column 2 -row 3
1184	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1185	#---------------
1186	# CW - neutron \|
1187	#---------------
1188	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1189	-column 1 -row 1
1190	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1191	-column 2 -row 1
1192	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1193	-column 3 -row 1 -sticky w
1194	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1195	-width 15 ] -column 4 -row 1
1196	#
1197	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1198	-column 1 -row 3 -sticky w
1199	grid [ checkbutton $expgui(diffBox).rfDCzref \
1200	-variable entryvar(zref) ] -column 2 -row 3
1201	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1202	-column 3 -row 3
1203	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1204	-width 15 ] -column 4 -row 3
1205	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1206	[histinfo $hist lam2] == 0.0} {
1207	#--------------------------
1208	# CW - x-ray 1 wavelength \|
1209	#--------------------------
1210	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1211	-column 1 -row 1
1212	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1213	-column 2 -row 1
1214	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1215	-column 3 -row 1 -sticky w
1216	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1217	-width 15 ] -column 4 -row 1
1218	#
1219	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1220	-column 1 -row 3 -sticky w
1221	grid [ checkbutton $expgui(diffBox).rfDCzref \
1222	-variable entryvar(zref) ] -column 2 -row 3
1223	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1224	-column 3 -row 3
1225	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1226	-width 15 ] -column 4 -row 3
1227	#
1228	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1229	-column 1 -row 4 -sticky w
1230	grid [ checkbutton $expgui(diffBox).rfDCpref \
1231	-variable entryvar(pref) ] -column 2 -row 4
1232	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1233	-column 3 -row 4
1234	grid [ entry $expgui(diffBox).eDCpola \
1235	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1236	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1237	-column 5 -row 4
1238	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1239	-textvariable entryvar(ipola)] -column 6 -row 4
1240	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1241	#---------------------------
1242	# CW - x-ray 2 wavelengths \|
1243	#---------------------------
1244	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1245	-column 3 -row 1 -sticky w
1246	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1247	-width 15 ] -column 4 -row 1
1248	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1249	-width 15 ] -column 5 -row 1
1250	#
1251	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1252	-column 1 -row 2 -sticky w
1253	grid [ checkbutton $expgui(diffBox).rfDCrref \
1254	-variable entryvar(ratref) ] -column 2 -row 2
1255	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1256	-column 3 -row 2
1257	grid [ entry $expgui(diffBox).eDCkratio \
1258	-textvariable entryvar(kratio) \
1259	-width 15 ] -column 4 -row 2
1260	#
1261	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1262	-column 3 -row 3
1263	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1264	-width 15 ] -column 4 -row 3
1265	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1266	-column 1 -row 3 -sticky w
1267	grid [ checkbutton $expgui(diffBox).rfDCzref \
1268	-variable entryvar(zref) ] -column 2 -row 3
1269	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1270	-column 1 -row 4 -sticky w
1271	grid [ checkbutton $expgui(diffBox).rfDCpref \
1272	-variable entryvar(pref) ] -column 2 -row 4
1273	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1274	-column 3 -row 4
1275	grid [ entry $expgui(diffBox).eDCpola \
1276	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1277	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1278	-column 5 -row 4
1279	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1280	-textvariable entryvar(ipola)] -column 6 -row 4
1281	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1282	#-------------
1283	# ED - x-ray \|
1284	#-------------
1285	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1286	-column 1 -row 1
1287	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1288	-column 2 -row 1
1289	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1290	-column 3 -row 1 -sticky w
1291	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1292	-width 15 ] -column 4 -row 1
1293	#
1294	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1295	-column 1 -row 4 -sticky w
1296	grid [ checkbutton $expgui(diffBox).rfDCpref \
1297	-variable entryvar(pref) ] -column 2 -row 4
1298	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1299	-column 3 -row 4
1300	grid [ entry $expgui(diffBox).eDCpola \
1301	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1302	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1303	-column 5 -row 4
1304	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1305	-textvariable entryvar(ipola)] -column 6 -row 4
1306	}
1307	} elseif {$expgui(globalmode) == 1} {
1308	#-------------
1309	# Global TOF \|
1310	#-------------
1311	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1312	-column 1 -row 1
1313	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1314	-column 2 -row 1
1315	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1316	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1317	#
1318	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1319	-column 1 -row 2
1320	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1321	-column 2 -row 2
1322	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1323	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1324	#
1325	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1326	-column 1 -row 3 -sticky w
1327	grid [ checkbutton $expgui(diffBox).rfDCzref \
1328	-variable entryvar(zref) ] -column 2 -row 3
1329	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1330	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1331	} elseif {$expgui(globalmode) == 2} {
1332	#--------------------
1333	# Global CW neutron \|
1334	#--------------------
1335	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1336	-column 1 -row 1
1337	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1338	-column 2 -row 1
1339	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1340	-command "editglobalparm histinfo lam1 Wavelength"] \
1341	-column 3 -row 1
1342	#
1343	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1344	-column 1 -row 3 -sticky w
1345	grid [ checkbutton $expgui(diffBox).rfDCzref \
1346	-variable entryvar(zref) ] -column 2 -row 3
1347	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1348	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1349	} elseif {$expgui(globalmode) == 4} {
1350	#----------------------
1351	# Global CW mono xray \|
1352	#----------------------
1353	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1354	-column 1 -row 1
1355	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1356	-column 2 -row 1
1357	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1358	-command "editglobalparm histinfo lam1 Wavelength"] \
1359	-column 3 -row 1
1360	#
1361	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1362	-column 1 -row 3 -sticky w
1363	grid [ checkbutton $expgui(diffBox).rfDCzref \
1364	-variable entryvar(zref) ] -column 2 -row 3
1365	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1366	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1367	#
1368	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1369	-column 1 -row 4 -sticky w
1370	grid [ checkbutton $expgui(diffBox).rfDCpref \
1371	-variable entryvar(pref) ] -column 2 -row 4
1372	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1373	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1374	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1375	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1376	} elseif {$expgui(globalmode) == 3} {
1377	#------------------------
1378	# Global alpha 1,2 xray \|
1379	#------------------------
1380	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1381	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1382	-column 3 -row 1
1383	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1384	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1385	-column 4 -row 1
1386	#
1387	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1388	-column 1 -row 3 -sticky w
1389	grid [ checkbutton $expgui(diffBox).rfDCratref \
1390	-variable entryvar(ratref) ] -column 2 -row 3
1391	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1392	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1393	-column 3 -row 3
1394	#
1395	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1396	-column 1 -row 3 -sticky w
1397	grid [ checkbutton $expgui(diffBox).rfDCzref \
1398	-variable entryvar(zref) ] -column 2 -row 3
1399	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1400	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1401	#
1402	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1403	-column 1 -row 4 -sticky w
1404	grid [ checkbutton $expgui(diffBox).rfDCpref \
1405	-variable entryvar(pref) ] -column 2 -row 4
1406	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1407	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1408	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1409	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1410	} elseif {$expgui(globalmode) == 5} {
1411	#-----------------
1412	# Global ED xray \|
1413	#-----------------
1414	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1415	-column 1 -row 1
1416	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1417	-column 2 -row 1
1418	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1419	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1420	-column 3 -row 1
1421	#
1422	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1423	-column 1 -row 4 -sticky w
1424	grid [ checkbutton $expgui(diffBox).rfDCpref \
1425	-variable entryvar(pref) ] -column 2 -row 4
1426	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1427	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1428	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1429	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1430	}
1431	if {$expgui(globalmode) == 0} {
1432	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1433	-columnspan 2 -sticky e
1434	} else {
1435	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1436	-columnspan 2 -sticky e
1437	}
1438	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1439	-column 1 -row 1
1440	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1441	grid $expgui(diffBox).d.om -column 2 -row 1
1442	grid columnconfigure $expgui(diffBox) 9 -weight 1
1443	grid columnconfigure $expgui(diffBox) 0 -weight 1
1444	update idletasks
1445	# enable traces on entryvar now
1446	set entrycmd(trace) 1
1447	}
1448
1449	#-----------------------------------------------------------------------
1450	# populate the Scaling page
1451	#-----------------------------------------------------------------------
1452	proc DisplayFrac {} {
1453	global expgui entrycmd entryvar expmap
1454
1455	# trap if more than one histogram is selected unless global mode
1456	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1457	set expgui(curhist) [lindex $expgui(curhist) 0]
1458	}
1459
1460	# display the selected histograms
1461	$expgui(fracFrame).hs.lbox selection clear 0 end
1462	foreach h $expgui(curhist) {
1463	$expgui(fracFrame).hs.lbox selection set $h
1464	}
1465
1466	# disable traces on entryvar
1467	set entrycmd(trace) 0
1468
1469	# get histogram list
1470	set histlist {}
1471	foreach item $expgui(curhist) {
1472	lappend histlist [lindex $expmap(powderlist) $item]
1473	}
1474
1475	# must have at least one histogram selected here
1476	if {[llength $histlist] == 0} {
1477	foreach var {scale sref sdamp} {
1478	set entrycmd($var) ""
1479	set entryvar($var) ""
1480	}
1481	set parm [grid info $expgui(scaleBox).but1]
1482	if {$parm != ""} {
1483	grid forget $expgui(scaleBox).but1
1484	eval grid $expgui(scaleBox).ent1 $parm
1485	}
1486	# destroy the contents of the frame
1487	set phaseFractf1 $expgui(FracBox).f
1488	eval destroy [grid slaves $phaseFractf1]
1489	# reenable traces on entryvar
1490	set entrycmd(trace) 1
1491	return
1492	}
1493
1494	#--------------
1495	# Scale factor
1496	#--------------
1497	if {$expgui(globalmode) != 0} {
1498	foreach var {scale sref sdamp} {
1499	set entrycmd($var) "histinfo [list $histlist] $var"
1500	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1501	}
1502	set parm [grid info $expgui(scaleBox).ent1]
1503	if {$parm != ""} {
1504	grid forget $expgui(scaleBox).ent1
1505	eval grid $expgui(scaleBox).but1 $parm
1506	}
1507	} else {
1508	set hist $histlist
1509	foreach var {scale sref sdamp} {
1510	set entrycmd($var) "histinfo $hist $var"
1511	set entryvar($var) [eval $entrycmd($var)]
1512	}
1513	set parm [grid info $expgui(scaleBox).but1]
1514	if {$parm != ""} {
1515	grid forget $expgui(scaleBox).but1
1516	eval grid $expgui(scaleBox).ent1 $parm
1517	}
1518	}
1519
1520	#----------------
1521	# Phase Fractions
1522	#----------------
1523	set phaseFractf1 $expgui(FracBox).f
1524	# destroy the contents of the frame
1525	eval destroy [grid slaves $phaseFractf1]
1526	if {$expgui(globalmode) != 0} {
1527	grid [label $phaseFractf1.txt -anchor center \
1528	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1529	-column 0 -row 0 -sticky news
1530	} else {
1531	grid [label $phaseFractf1.txt -anchor center \
1532	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1533	}
1534	# Create the frame inside the canvas, One frame for each Phase.
1535	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1536	foreach hist $histlist {
1537	foreach i $expmap(phaselist_$hist) {
1538	lappend phasehistlist($i) $hist
1539	}
1540	}
1541	foreach i {1 2 3 4 5 6 7 8 9} {
1542	if {[llength $phasehistlist($i)] == 0} continue
1543	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1544	grid $framePF -column 0 -row $i -sticky ew
1545	# Label Heading for each phase.
1546	if {$expgui(globalmode) != 0} {
1547	grid [label $framePF.l1 \
1548	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1549	-column 0 -row 0 -sticky nws
1550	grid [button $framePF.but1 -text "Set Globally" \
1551	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1552	[list $phasehistlist($i)] $i" \
1553	] -column 1 -row 0
1554	} else {
1555	grid [label $framePF.l1 -text "Phase $i fraction"] \
1556	-column 0 -row 0 -sticky nws
1557	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1558	-column 1 -row 0
1559	}
1560	set entrycmd(frac$i) "hapinfo $hist $i frac"
1561	set entryvar(frac$i) [hapinfo $hist $i frac]
1562	grid [label $framePF.l2 -text " Refine"] \
1563	-column 2 -row 0 -sticky nws
1564	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1565	-column 3 -row 0 -sticky nws
1566	set entrycmd(frref$i) "hapinfo $hist $i frref"
1567	set entryvar(frref$i) [hapinfo $hist $i frref]
1568	grid [label $framePF.l3 -text " Damping"] \
1569	-column 4 -row 0 -sticky nws
1570	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1571	0 1 2 3 4 5 6 7 8 9
1572	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1573	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1574	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1575	}
1576	# resize the scroll window to match the actual
1577	update idletasks
1578	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1579	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1580	update idletasks
1581	# enable traces on entryvar now
1582	set entrycmd(trace) 1
1583	}
1584
1585	#-----------------------------------------------------------------------
1586	# display the profile page
1587	#-----------------------------------------------------------------------
1588	proc DisplayProfile {} {
1589	global expgui entrycmd entryvar expmap
1590
1591	# trap if more than one histogram is selected unless global mode
1592	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1593	set expgui(curhist) [lindex $expgui(curhist) 0]
1594	}
1595	# display the selected histograms
1596	$expgui(profFrame).hs.lbox selection clear 0 end
1597	foreach h $expgui(curhist) {
1598	$expgui(profFrame).hs.lbox selection set $h
1599	}
1600
1601	# destroy the contents of the frame
1602	eval destroy [grid slaves $expgui(ProfileBox).f]
1603
1604	if {$expgui(globalmode) == 0} {
1605	# must have at least one histogram selected here
1606	if {[llength $expgui(curhist)] == 0} return
1607	# disable traces on entryvar for right now
1608	set entrycmd(trace) 0
1609	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1610	# no defined histograms?
1611	if {$hist == ""} return
1612	# Create one frame for each Phase.
1613	set ind -1
1614	set htype [string range $expmap(htype_$hist) 2 2]
1615	foreach i $expmap(phaselist_$hist) {
1616	incr ind
1617	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1618	-column 0 -row $ind -sticky ew
1619	grid [frame $expgui(ProfileBox).f.$i.1] \
1620	-column 0 -row 0 -columnspan 10 -sticky ew
1621	# Label Heading for each phase.
1622	set ptype [string trim [hapinfo $hist $i proftype]]
1623	pack [label $expgui(ProfileBox).f.$i.1.l \
1624	-text "Phase $i -- type $ptype Damping"]\
1625	-side left
1626	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1627	0 1 2 3 4 5 6 7 8 9
1628	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1629	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1630	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1631	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1632	-text " Peak cutoff"]\
1633	-side left
1634	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1635	-width 10 -textvariable entryvar(pcut_$i)]\
1636	-side left
1637	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1638	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1639
1640	set col -1
1641	set row 1
1642	set nterms [hapinfo $hist $i profterms]
1643	set lbls {}
1644	catch {set lbls $expgui(prof-$htype-$ptype)}
1645	# for type 4, add extra terms depending on the cell type
1646	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1647	for { set num 1 } { $num <= $nterms } { incr num } {
1648	set term {}
1649	catch {set term [lindex $lbls $num]}
1650	if {$term == ""} {set term $num}
1651	incr col
1652	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1653	-row $row -column $col
1654	incr col
1655	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1656	-variable entryvar(pref${num}_$i)] -row $row -column $col
1657	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1658	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1659	incr col
1660	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1661	-textvariable entryvar(pterm${num}_$i)\
1662	-width 12] -row $row -column $col
1663	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1664	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1665	if {$col > 6} {set col -1; incr row}
1666	}
1667	}
1668	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1669	} else {
1670	# get histogram list
1671	set histlist {}
1672	foreach item $expgui(curhist) {
1673	lappend histlist [lindex $expmap(powderlist) $item]
1674	}
1675	# must have at least one histogram selected here
1676	if {[llength $histlist] == 0} return
1677	# disable traces on entryvar for right now
1678	set entrycmd(trace) 0
1679	# loop through histograms & phases, set up an array by phase & profile type
1680	catch {unset prtyparray histarray phasearray}
1681	foreach hist $histlist {
1682	foreach phase $expmap(phaselist_$hist) {
1683	set prtyp [string trim [hapinfo $hist $phase proftype]]
1684	set key ${prtyp}_$phase
1685	lappend prtyparray($key) $hist
1686	lappend histarray($key) $hist
1687	lappend phasearray($key) $phase
1688	}
1689	}
1690
1691	set ptype ""
1692	set i -1
1693	# loop over all combined phases and profile types, sorted 1st by profile number
1694	foreach key [lsort [array names prtyparray]] {
1695	# split key
1696	scan $key %d_%d prftyp p
1697
1698	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1699	set ptype $prftyp
1700	set curhistlist $histarray($key)
1701	set curphaslist $phasearray($key)
1702
1703	set hist1 [lindex $curhistlist 0]
1704	set phase1 [lindex $curphaslist 0]
1705	set nterms [hapinfo $hist1 $phase1 profterms]
1706	set htype [string range $expmap(htype_$hist1) 2 2]
1707	set lbls $expgui(prof-$htype-$ptype)
1708	# for type 4, add extra terms depending on the cell type
1709	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1710	# Create a frame for this type
1711	incr i
1712	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1713	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1714	-column 0 -row $i -sticky ew
1715	grid [frame $expgui(ProfileBox).f.$i.0] \
1716	-column 0 -row 0 -columnspan 20 -sticky ew
1717	grid [label $expgui(ProfileBox).f.$i.0.0 \
1718	-text "Profile Type $ptype "] -row 0 -column 0
1719	grid [label $expgui(ProfileBox).f.$i.0.1 \
1720	-anchor w] -row 0 -column 1
1721	grid [frame $expgui(ProfileBox).f.$i.1] \
1722	-column 0 -row 1 -columnspan 20 -sticky ew
1723	grid [label $expgui(ProfileBox).f.$i.1.2 \
1724	-text "Damping"] -row 0 -column 2
1725	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1726	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1727	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1728	grid [button $expgui(ProfileBox).f.$i.1.edit \
1729	-text "Global Edit"] -row 0 -column 4 -sticky w
1730	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1731	set col -1
1732	set row 2
1733	for { set num 1 } { $num <= $nterms } { incr num } {
1734	set term {}
1735	catch {set term [lindex $lbls $num]}
1736	if {$term == ""} {set term $num}
1737	incr col
1738	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} \
1739	-text "$term"] -row $row -column $col
1740	incr col
1741	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1742	-variable entryvar(pref${num}_$i)] \
1743	-row $row -column $col
1744	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1745	if {$col > 10} {set col -1; incr row}
1746	}
1747	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1748	} else {
1749	# add to the current entry
1750	eval lappend curhistlist $histarray($key)
1751	eval lappend curphaslist $phasearray($key)
1752	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1753	}
1754	$expgui(ProfileBox).f.$i.0.1 config -text $boxtitle
1755	$expgui(ProfileBox).f.$i.1.edit config -command "\
1756	EditProfile \"\n$boxtitle\" \
1757	[list $curhistlist] \
1758	[list $curphaslist]"
1759	set entrycmd(pdamp_$i) "hapinfo \
1760	[list $curhistlist] \
1761	[list $curphaslist] pdamp"
1762	for { set num 1 } { $num <= $nterms } { incr num } {
1763	set entrycmd(pref${num}_$i) "hapinfo \
1764	[list $curhistlist] \
1765	[list $curphaslist] pref$num"
1766	}
1767	}
1768	}
1769
1770	# resize the scroll window to match the actual
1771	update idletasks
1772	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1773	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1774	update idletasks
1775	# enable traces on entryvar now
1776	set entrycmd(trace) 1
1777	}
1778
1779	# profile labels for type 4 profile
1780	proc type4lbls {lbls nterms phase} {
1781	if {$nterms == 14} {
1782	# cubic
1783	lappend lbls S400 S220
1784	} elseif {$nterms == 15} {
1785	# hexagonal
1786	lappend lbls S400 S004 S202
1787	} elseif {$nterms == 16} {
1788	# tetragonal or rhombohedral
1789	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1790	# rhombohedral
1791	lappend lbls S400 S220 S310 S211
1792	} else {
1793	lappend lbls S400 S004 S220 S202
1794	}
1795	} elseif {$nterms == 18} {
1796	# orthorhombic
1797	lappend lbls S400 S040 S004 S220 S202 S022
1798	} elseif {$nterms == 21} {
1799	# monoclinic
1800	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1801	} elseif {$nterms == 25} {
1802	# triclinic
1803	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1804	S130 S301 S013 S211 S121 S112
1805	}
1806	return $lbls
1807	}
1808
1809	# process the bit settings in the print options
1810	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1811	proc printsetting {bitnum "action get" "value {}"} {
1812	global entryvar expgui
1813	if {$action == "get"} {
1814	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1815	} elseif $value {
1816	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1817	} else {
1818	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1819	}
1820	expinfo print set $newval
1821	set expgui(printopt) "Print Options ([expinfo print])"
1822	}
1823
1824	# need to respond to mouse presses -- control variable associated with extract Fobs
1825	# and set the LeBail extraction flags
1826	proc SetupExtractHist {} {
1827	global expgui entrycmd entryvar expmap
1828
1829	# display the selected histograms
1830	$expgui(lsFrame).hs.lbox selection clear 0 end
1831	foreach h $expgui(curhist) {
1832	$expgui(lsFrame).hs.lbox selection set $h
1833	}
1834
1835	# get histogram list
1836	set histlist {}
1837	foreach item $expgui(curhist) {
1838	set hist [lindex $expmap(powderlist) $item]
1839	if {$hist != ""} {lappend histlist $hist}
1840	}
1841	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1842	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1843	foreach phase {1 2 3 4 5 6 7 8 9} {
1844	$expgui(lsFrame).f1.a.l$phase config -fg grey
1845	set expgui(Fextract$phase) {}
1846	foreach item $expgui(ExtractSettingsRadiobuttons) {
1847	${item}$phase config -state disabled -bd 1
1848	}
1849	}
1850	} elseif {[llength $histlist] == 1} {
1851	# disable traces on entryvar
1852	set entrycmd(trace) 0
1853	set entryvar(fobsextract) [histinfo $histlist foextract]
1854	foreach phase {1 2 3 4 5 6 7 8 9} {
1855	# is the phase present?
1856	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1857	$expgui(lsFrame).f1.a.l$phase config -fg grey
1858	set expgui(Fextract$phase) {}
1859	foreach item $expgui(ExtractSettingsRadiobuttons) {
1860	${item}$phase config -state disabled -bd 1
1861	}
1862	} else {
1863	$expgui(lsFrame).f1.a.l$phase config -fg black
1864	foreach item $expgui(ExtractSettingsRadiobuttons) {
1865	${item}$phase config -state normal -bd 2
1866	}
1867	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1868	}
1869	}
1870	} elseif {[llength $histlist] > 1} {
1871	# disable traces on entryvar
1872	set entrycmd(trace) 0
1873	# multiple histograms need phases in any histogram
1874	foreach phase {1 2 3 4 5 6 7 8 9} {
1875	set gotphase($phase) 0
1876	}
1877	foreach hist $histlist {
1878	foreach phase $expmap(phaselist_$hist) {
1879	set gotphase($phase) 1
1880	}
1881	}
1882	foreach phase {1 2 3 4 5 6 7 8 9} {
1883	set expgui(Fextract$phase) {}
1884	if $gotphase($phase) {
1885	$expgui(lsFrame).f1.a.l$phase config -fg black
1886	foreach item $expgui(ExtractSettingsRadiobuttons) {
1887	${item}$phase config -state normal -bd 2
1888	}
1889	} else {
1890	$expgui(lsFrame).f1.a.l$phase config -fg grey
1891	foreach item $expgui(ExtractSettingsRadiobuttons) {
1892	${item}$phase config -state disabled -bd 1
1893	}
1894	}
1895	}
1896	}
1897	# reenable traces
1898	set entrycmd(trace) 1
1899	}
1900	# respond to a change in the fobs extraction method for a phase
1901	# force the main extraction flag on, if fobs extraction is selected for any phase
1902	proc HistExtractSet {phase} {
1903	global expgui entryvar expmap
1904	foreach item $expgui(curhist) {
1905	lappend histlist [lindex $expmap(powderlist) $item]
1906	}
1907	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1908	incr expgui(changed)
1909	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1910	}
1911	#---------------------------- Global Edit Functions ------------------------
1912	proc editbackground {} {
1913	global expgui expmap entrycmd
1914	set histlist {}
1915	foreach n $expgui(curhist) {
1916	lappend histlist [lindex $expmap(powderlist) $n]
1917	}
1918	if {[llength $histlist] == 0} return
1919
1920	set w .back
1921	catch {destroy $w}
1922	toplevel $w -bg beige
1923	if {$expgui(globalmode) != 0} {
1924	wm title $w "Edit Background"
1925	} else {
1926	wm title $w "Global Edit Background"
1927	}
1928
1929	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1930	] -side top -expand yes -fill both
1931	if {[llength $histlist] > 1} {
1932	grid [label $w.0.a \
1933	-text "Setting background terms for histograms [CompressList $histlist]" \
1934	-bg beige] -row 0 -column 0 -columnspan 10
1935	} else {
1936	grid [label $w.0.a \
1937	-text "Setting background terms for histogram $histlist" \
1938	-bg beige] -row 0 -column 0 -columnspan 10
1939	}
1940	set hist [lindex $histlist 0]
1941	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1942
1943	# disable traces on expgui(backtype) & expgui(backterms) now
1944	set entrycmd(trace) 0
1945
1946	# number of terms
1947	set expgui(backtype) [histinfo $hist backtype]
1948	set expgui(orig_backtype) $expgui(backtype)
1949	set expgui(prev_backtype) $expgui(backtype)
1950	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1951	grid $w.0.type -row 1 -column 1
1952	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1953
1954	# function type
1955	set expgui(backterms) [histinfo $hist backterms]
1956	set expgui(orig_backterms) $expgui(backterms)
1957	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1958	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1959	grid $w.0.terms -row 1 -column 3
1960	# enable traces on expgui(backtype) & expgui(backterms) now
1961	set entrycmd(trace) 1
1962
1963	#set background terms
1964	for {set num 1 } { $num <= 36 } { incr num } {
1965	set var "bterm$num"
1966	set expgui($var) {}
1967	set expgui(orig_$var) {}
1968	}
1969	if {[llength $histlist] == 1} {
1970	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1971	set var "bterm$num"
1972	set expgui($var) [histinfo $histlist $var]
1973	set expgui(orig_$var) $expgui($var)
1974	}
1975	}
1976
1977	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1978	-expand yes -fill both
1979	ShowBackTerms $w.1
1980
1981	set expgui(temp) {}
1982	pack [frame $w.b] -side top
1983	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1984	pack [button $w.b.3 -text Quit \
1985	-command "QuitEditBackground $w"] -side left
1986	bind $w <Return> "destroy $w"
1987
1988	# force the window to stay on top
1989	putontop $w
1990
1991	focus $w.b.2
1992	tkwait window $w
1993	afterputontop
1994
1995	if {$expgui(temp) != ""} return
1996
1997	if {$expgui(orig_backtype) != $expgui(backtype)} {
1998	histinfo $histlist backtype set $expgui(backtype)
1999	incr expgui(changed)
2000	}
2001	if {$expgui(orig_backterms) != $expgui(backterms)} {
2002	histinfo $histlist backterms set $expgui(backterms)
2003	incr expgui(changed)
2004	}
2005	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2006	set var "bterm$num"
2007	if {$expgui(orig_$var) != $expgui($var)} {
2008	histinfo $histlist $var set $expgui($var)
2009	incr expgui(changed)
2010	}
2011	}
2012
2013	if {$expgui(globalmode) == 0} {
2014	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2015	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2016	}
2017	}
2018
2019	trace variable expgui(backterms) w ChangeBackTerms
2020	proc ChangeBackTerms {a b c} {
2021	global entrycmd expgui
2022	if !$entrycmd(trace) return
2023	ShowBackTerms .back.1
2024	}
2025
2026	trace variable expgui(backtype) w ChangeBackType
2027	# reset the terms to 1, 0, 0... when the number of terms increase
2028	proc ChangeBackType {a b c} {
2029	global entrycmd expgui
2030	if !$entrycmd(trace) return
2031	if {$expgui(prev_backtype) == $expgui(backtype)} return
2032	set expgui(prev_backtype) $expgui(backtype)
2033	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2034	set var "bterm$num"
2035	if {$num == 1} {
2036	set expgui($var) 1.0
2037	} else {
2038	set expgui($var) 0.0
2039	}
2040	}
2041	}
2042
2043	proc ShowBackTerms {w } {
2044	global expgui expmap
2045	# destroy the contents of the frame
2046	eval destroy [grid slaves $w]
2047	set histlist {}
2048	foreach n $expgui(curhist) {
2049	lappend histlist [lindex $expmap(powderlist) $n]
2050	}
2051	set widgetsPerRow 4
2052	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2053	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2054	set var "bterm$num"
2055	grid [label $w.l$num -text $num -bg beige] \
2056	-row $rows -column $cols -sticky nes
2057	incr cols
2058	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2059	] -row $rows -column $cols -sticky news
2060	incr cols
2061	}
2062	}
2063	}
2064
2065	proc QuitEditBackground {w} {
2066	global expgui
2067	# lets find out if anything changed
2068	set changed 0
2069	if {$expgui(orig_backtype) != $expgui(backtype)} {
2070	set changed 1
2071	}
2072	if {$expgui(orig_backterms) != $expgui(backterms)} {
2073	set changed 1
2074	}
2075	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2076	set var "bterm$num"
2077	if {$expgui(orig_$var) != $expgui($var)} {
2078	set changed 1
2079	break
2080	}
2081	}
2082	if $changed {
2083	set decision [tk_dialog .changes "Abandon Changes" \
2084	"You have made changes to the background. Ok to abandon changes?" \
2085	warning 0 Abandon Keep]
2086	if !$decision {
2087	set expgui(temp) "Quit"
2088	destroy $w
2089	}
2090	} else {
2091	set expgui(temp) "Quit"
2092	destroy $w
2093	}
2094	}
2095
2096	# this probably needs work
2097	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2098	global expgui expmap
2099	set w .global
2100	catch {destroy $w}
2101	toplevel $w -bg beige
2102	wm title $w "Edit Global Parameter"
2103	set expgui(temp) {}
2104	if {[llength $histlist] == 0} {
2105	set hist {}
2106	foreach n $expgui(curhist) {
2107	lappend hist [lindex $expmap(powderlist) $n]
2108	}
2109	} else {
2110	set hist $histlist
2111	}
2112	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2113	-side top -expand yes -fill both
2114	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2115	-bg beige] \
2116	-row 0 -column 0 -columnspan 10
2117	grid [entry $w.0.b -textvariable expgui(temp)] \
2118	-row 1 -column 0
2119
2120
2121	pack [frame $w.b] -side top
2122	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2123	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2124	bind $w <Return> "destroy $w"
2125
2126	# force the window to stay on top
2127	putontop $w
2128	focus $w.b.2
2129	tkwait window $w
2130	afterputontop
2131
2132	if {$expgui(temp) != ""} {
2133	foreach h $hist {
2134	if {$cmd == "histinfo"} {
2135	histinfo $h $variable set $expgui(temp)
2136	incr expgui(changed)
2137	if $expgui(debug) {
2138	puts "histinfo $h $variable set $expgui(temp)"
2139	}
2140	} elseif {$cmd == "hapinfo"} {
2141	hapinfo $h $phase $variable set $expgui(temp)
2142	incr expgui(changed)
2143	if $expgui(debug) {
2144	puts "hapinfo $phase $h $variable set $expgui(temp)"
2145	}
2146	} else {
2147	error "$cmd unimplemented"
2148	}
2149	}
2150	}
2151	}
2152
2153	proc EditProfile {title histlist phaselist} {
2154	global expgui expmap entrycmd
2155	set w .back
2156	catch {destroy $w}
2157	toplevel $w -bg beige
2158	wm title $w "Global Edit Profile"
2159	set hist [lindex $histlist 0]
2160	set phase [lindex $phaselist 0]
2161	set ptype [string trim [hapinfo $hist $phase proftype]]
2162	set htype [string range $expmap(htype_$hist) 2 2]
2163	set nterms [hapinfo $hist $phase profterms]
2164
2165	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2166	] -side top -expand yes -fill both
2167	grid [label $w.0.a \
2168	-text "Setting profile terms: $title" \
2169	-bg beige] -row 0 -column 0 -columnspan 10
2170	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2171
2172	# number of terms
2173	# set expgui(backtype) [histinfo $hist backtype]
2174	# set expgui(orig_backtype) $expgui(backtype)
2175	# set expgui(prev_backtype) $expgui(backtype)
2176	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2177	# grid $w.0.type -row 1 -column 1
2178
2179	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2180	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2181	set entrylist {}
2182	lappend entrylist "pcut $w.0.d"
2183
2184	set col -1
2185	set row 1
2186	set lbls $expgui(prof-$htype-$ptype)
2187	# for type 4, add extra terms depending on the cell type
2188	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2189	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2190	] -side top -expand yes -fill both
2191	for { set num 1 } { $num <= $nterms } { incr num } {
2192	set term {}
2193	catch {set term [lindex $lbls $num]}
2194	if {$term == ""} {set term $num}
2195	incr col
2196	grid [label $w.1.l${num} -text "$term" -bg beige] \
2197	-row $row -column $col
2198	incr col
2199	grid [entry $w.1.ent${num} \
2200	-width 14] -row $row -column $col
2201	lappend entrylist "pterm$num $w.1.ent${num}"
2202	if {$col > 6} {set col -1; incr row}
2203	}
2204	pack [frame $w.b] -side top
2205	pack [button $w.b.2 -text Set \
2206	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2207	[list $histlist] $w"] -side left
2208	pack [button $w.b.3 -text Quit \
2209	-command "QuitEditProfile $w [list $entrylist]"] -side left
2210	bind $w <Return> "destroy $w"
2211
2212	# force the window to stay on top
2213	putontop $w
2214	focus $w.b.2
2215	tkwait window $w
2216	afterputontop
2217	}
2218
2219	proc SetEditProfile {entrylist phaselist histlist w} {
2220	global expgui
2221	foreach item $entrylist {
2222	set value [ [lindex $item 1] get ]
2223	if {$value != ""} {
2224	hapinfo $histlist $phaselist [lindex $item 0] set $value
2225	incr expgui(changed)
2226	if $expgui(debug) {
2227	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2228	}
2229	}
2230	}
2231	destroy $w
2232	}
2233
2234	proc QuitEditProfile {w entrylist} {
2235	global expgui
2236	# lets find out if anything changed
2237	set changed 0
2238	foreach item $entrylist {
2239	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2240	}
2241	if $changed {
2242	set decision [tk_dialog .changes "Abandon Changes" \
2243	"You have made changes to the Profile. Ok to abandon changes?" \
2244	warning 0 Abandon Keep]
2245	if !$decision {destroy $w}
2246	} else {
2247	destroy $w
2248	}
2249	}
2250
2251	##############################################################################
2252	## #############################################
2253	## END OF THE PROCEDURES SECTION #############################################
2254	## #############################################
2255	##############################################################################
2256
2257	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2258	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2259	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2260	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2261	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2262	# A frame for menu items at top of display
2263	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2264	# Pack the menu frame.
2265	pack $expgui(fm) -fill x -side top -anchor n
2266
2267	# create a button bar
2268	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2269
2270	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2271	# & LS controls
2272	if $expgui(havetix) {
2273	pack [tixNoteBook .n] -expand yes -fill both
2274	.n add lsPane -label "LS Controls" -underline 0
2275	.n pageconfigure lsPane -raisecmd \
2276	"set expgui(pagenow) lsFrame; SetupExtractHist"
2277	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2278	.n add phasePane -label "Phase" -underline 0
2279	.n pageconfigure phasePane -raisecmd \
2280	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2281	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2282	.n add histPane -label "Histogram" -underline 0
2283	.n pageconfigure histPane -raisecmd \
2284	"set expgui(pagenow) histFrame; DisplayHistogram"
2285	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2286	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2287	.n add fracPane -label "Scaling" -underline 6
2288	.n pageconfigure fracPane -raisecmd \
2289	"set expgui(pagenow) fracFrame; DisplayFrac"
2290	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2291	.n add profPane -label Profile -underline 1
2292	.n pageconfigure profPane -raisecmd \
2293	"set expgui(pagenow) profFrame; DisplayProfile"
2294	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2295	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2296	# Finding the pathname to the subwidget frames.
2297	set expgui(phaseFrame) [.n subwidget phasePane]
2298	set expgui(histFrame) [.n subwidget histPane]
2299	set expgui(fracFrame) [.n subwidget fracPane]
2300	set expgui(profFrame) [.n subwidget profPane]
2301	set expgui(lsFrame) [.n subwidget lsPane]
2302	} else {
2303	pack [frame .frmbar] -side top -anchor w
2304	pack [frame .n] -anchor w -fill both -expand yes
2305	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2306	page {"LS Controls" Phase Histogram Scaling Profile } {
2307	pack [button .frmbar.$item -text $page -bd 2 \
2308	-command "RaisePage $item"] -side left
2309	set expgui($item) [frame .n.$item -relief flat]
2310	}
2311	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2312	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2313	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2314	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2315	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2316	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2317	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2318	}
2319
2320	# this is used in the non-tix notebook to bring up the selected frame
2321	proc RaisePage {nextpage} {
2322	global expgui
2323	set expgui(pagenow) $nextpage
2324	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2325	if {$item == $nextpage} {
2326	.frmbar.$item config -relief flat
2327	} else {
2328	.frmbar.$item config -relief raised
2329	}
2330	}
2331	# forget all other pages
2332	foreach child [pack slaves .n] {
2333	pack forget $child
2334	}
2335	pack .n.$nextpage -anchor w -fill both -expand yes
2336	foreach set $expgui(frameactionlist) {
2337	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2338	}
2339	}
2340	#----------------------------------------------------------------------------
2341	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2342	# Setup major frames here
2343	frame $expgui(phaseFrame).top
2344	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2345	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2346	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2347	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2348	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2349
2350	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2351	grid $frameLatt -sticky news -row 2 -column 0
2352	grid $fbig -sticky news -row 3 -column 0
2353	# give extra space to the atoms box
2354	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2355	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2356	grid $frame3 -sticky news -row 4 -column 0
2357	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2358	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2359	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2360	# this is where the buttons will go
2361	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2362
2363	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2364	-fg blue ] -column 1 -row 0 -sticky e
2365	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2366	-fg blue -width 45] -column 2 -row 0 -sticky e
2367	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2368	# ------------- Lattice Parameter Box ------------------
2369	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2370	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2371	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2372	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2373	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2374	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2375	set l1 [label $frameLatt.l1 -text "a"]
2376	set l2 [label $frameLatt.l2 -text "b"]
2377	set l3 [label $frameLatt.l3 -text "c"]
2378	set l4 [label $frameLatt.l4 -text a -font symbol]
2379	set l5 [label $frameLatt.l5 -text b -font symbol]
2380	set l6 [label $frameLatt.l6 -text g -font symbol]
2381	grid $e1 -column 1 -row 0 -padx 5
2382	grid $e2 -column 3 -row 0 -padx 5
2383	grid $e3 -column 5 -row 0 -padx 5
2384	grid $e4 -column 1 -row 1 -padx 5
2385	grid $e5 -column 3 -row 1 -padx 5
2386	grid $e6 -column 5 -row 1 -padx 5
2387	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2388	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2389	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2390	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2391	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2392	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2393
2394	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2395	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2396	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2397	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2398	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2399	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2400	if [file executable $expgui(exptool)] {
2401	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2402	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2403	grid columnconfig $frameLatt 0 -weight 1
2404	}
2405	#-------------- Begin Atom Coordinates Box ---------------------------------
2406	grid [listbox $fbig.title -height 1 -relief flat] \
2407	-row 0 -column 0 -sticky ew
2408	set expgui(atomtitle) $fbig.title
2409	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2410	grid [listbox $fbig.lbox -height 10 \
2411	-xscrollcommand " $fbig.bscr set"\
2412	-yscrollcommand " $fbig.rscr set"\
2413	] -row 1 -column 0 -sticky news
2414	set expgui(atomlistbox) $fbig.lbox
2415	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2416	grid [scrollbar $fbig.bscr -orient horizontal \
2417	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2418	] -row 2 -column 0 -sticky ew
2419	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2420	] -row 1 -column 1 -sticky ns
2421	# give extra space to the atoms box
2422	grid columnconfigure $fbig 0 -weight 1
2423	grid rowconfigure $fbig 1 -weight 1
2424
2425	proc move2boxes {boxlist args} {
2426	foreach listbox $boxlist {
2427	eval $listbox xview $args
2428	}
2429	}
2430	# BIND mouse in editbox
2431	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2432	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2433
2434	#-------------- End Atoms Section ---------------------------------
2435
2436	# --------------------------- Begin Edit Box -------------------------------
2437	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2438	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2439	if [file executable $expgui(exptool)] {
2440	button $frame3.newa -text "Add New Atom" \
2441	-command {MakeAddAtomsBox $expgui(curPhase)}
2442	grid $frame3.newa -column 11 -row 0
2443	}
2444
2445	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2446	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2447
2448	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2449	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2450	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2451	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2452	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2453	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2454
2455	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2456	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2457
2458	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2459	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2460	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2461	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2462	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2463	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2464	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2465	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2466	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2467
2468	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2469	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2470
2471	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2472	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2473
2474	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2475	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2476	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2477	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2478	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2479	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2480	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2481	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2482	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2483	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2484
2485	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2486	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2487	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2488	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2489	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2490	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2491	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2492	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2493
2494
2495	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2496	grid $f3f31 -column 0 -row 7 -columnspan 12
2497	set expgui(anisolabels) {}
2498	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2499	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2500	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2501	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2502	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2503	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2504
2505	set expgui(anisoentry) {}
2506	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2507	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2508	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2509	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2510	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2511	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2512
2513	set col 0
2514	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2515	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2516	incr col
2517	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2518	incr col
2519	}
2520	# --------------------------- End Edit Box --------------------------------
2521
2522	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2523	#-----------------------------------------------------------------------------
2524	#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
2525	grid [frame $expgui(histFrame).hs] \
2526	-column 0 -row 0 -rowspan 10 -sticky nsew
2527	grid columnconfigure $expgui(histFrame) 0 -weight 1
2528	grid rowconfigure $expgui(histFrame) 1 -weight 1
2529	grid rowconfigure $expgui(histFrame) 2 -weight 1
2530	grid rowconfigure $expgui(histFrame) 3 -weight 1
2531	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2532	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2533	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2534	-font $expgui(histfont) \
2535	-xscrollcommand "$expgui(histFrame).hs.x set" \
2536	-yscrollcommand "$expgui(histFrame).hs.y set" \
2537	] -row 1 -column 0 -sticky news
2538	lappend expgui(HistSelectList) $expgui(histFrame).hs
2539	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2540	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2541	] -row 2 -column 0 -sticky ew
2542	grid [scrollbar $expgui(histFrame).hs.y \
2543	-command "$expgui(histFrame).hs.lbox yview"] \
2544	-row 1 -column 1 -sticky ns
2545	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2546	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2547	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2548	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2549	DisplayHistogram
2550	}
2551	bind $expgui(histFrame).hs.lbox <Button-3> {
2552	if $expgui(globalmode) {
2553	$expgui(histFrame).hs.lbox selection set 0 end
2554	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2555	DisplayHistogram
2556	}
2557	}
2558
2559
2560	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2561	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2562	if $expgui(havetix) {
2563	foreach item {backBox diffBox} num {2 3} \
2564	title {Background "Diffractometer Constants"} {
2565	tixLabelFrame $expgui(histFrame).$item \
2566	-borderwidth 4 -width 600 -height 100 -label $title
2567	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2568	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2569	}
2570	} else {
2571	foreach item {backBox diffBox} num {1 2} \
2572	title {Background "Diffractometer Constants"} {
2573	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2574	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2575	set expgui($item) $expgui(histFrame).$item
2576	grid [label $expgui(histFrame).$item.title -text $title] \
2577	-row 0 -column 0 -columnspan 10 -sticky nw
2578	}
2579	}
2580	if [file executable $expgui(exptool)] {
2581	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2582	grid $expgui(histFrame).newh -column 1 -row 6
2583	}
2584
2585	# BACKGROUND information.
2586	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2587	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2588	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2589	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2590	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2591	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2592	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2593	-command editbackground] \
2594	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2595	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2596	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2597	-row 2 -column 1 -sticky news -padx 4 -pady 3
2598	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2599	-variable entryvar(bref) ] \
2600	-row 2 -column 2 -sticky news -padx 4 -pady 3
2601	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2602	-row 2 -column 3 -sticky w -padx 2 -pady 3
2603	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2604	grid $expgui(backBox).f1.om \
2605	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2606
2607	# DIFFRACTOMETER CONSTANTS SECTION
2608
2609	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2610	###############################################################################
2611	#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
2612
2613	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2614	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2615	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2616	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2617	-font $expgui(histfont) \
2618	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2619	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2620	] -row 1 -column 0 -sticky news
2621	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2622	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2623	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2624	] -row 2 -column 0 -sticky ew
2625	grid [scrollbar $expgui(fracFrame).hs.y \
2626	-command "$expgui(fracFrame).hs.lbox yview"] \
2627	-row 1 -column 1 -sticky ns
2628	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2629	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2630	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2631	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2632	DisplayFrac
2633	}
2634	bind $expgui(fracFrame).hs.lbox <Button-3> {
2635	if $expgui(globalmode) {
2636	$expgui(fracFrame).hs.lbox selection set 0 end
2637	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2638	DisplayFrac
2639	}
2640	}
2641	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2642	# Create a large canvas area containing a frame for each phase in the data set.
2643	# The canvas and vertical scrollbar are inside a frame called f1
2644	if $expgui(havetix) {
2645	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2646	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2647	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2648	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2649	} else {
2650	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2651	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2652	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2653	}
2654	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2655	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2656	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2657	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2658	button $expgui(scaleBox).but1 -text "Set Globally" \
2659	-command "editglobalparm histinfo scale {Scale Factor}"
2660
2661	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2662	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2663	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2664	-row 1 -column 3 -sticky news -padx 4 -pady 3
2665	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2666	-row 1 -column 4 -sticky w -padx 2 -pady 3
2667	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2668	grid $expgui(scaleBox).om \
2669	-row 1 -column 5 -sticky news -padx 4 -pady 3
2670	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2671
2672	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2673	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2674	-sticky news -row 1 -column 0
2675	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2676	-sticky ns -row 1 -column 1
2677
2678	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2679	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2680
2681	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2682	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2683	frame $expgui(FracBox).f -bd 0
2684	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2685
2686	# the rest of the page is created in DisplayFrac
2687	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2688	###############################################################################
2689	# 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
2690	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2691	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2692	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2693	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2694	-font $expgui(histfont) \
2695	-xscrollcommand "$expgui(profFrame).hs.x set" \
2696	-yscrollcommand "$expgui(profFrame).hs.y set" \
2697	] -row 1 -column 0 -sticky news
2698	lappend expgui(HistSelectList) $expgui(profFrame).hs
2699	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2700	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2701	] -row 2 -column 0 -sticky ew
2702	grid [scrollbar $expgui(profFrame).hs.y \
2703	-command "$expgui(profFrame).hs.lbox yview"] \
2704	-row 1 -column 1 -sticky ns
2705	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2706	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2707	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2708	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2709	DisplayProfile
2710	}
2711	bind $expgui(profFrame).hs.lbox <Button-3> {
2712	if $expgui(globalmode) {
2713	$expgui(profFrame).hs.lbox selection set 0 end
2714	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2715	DisplayProfile
2716	}
2717	}
2718
2719	# Create a large canvas area containing a frame for each phase in the data set.
2720	# The canvas and vertical scrollbar are inside a frame called f1
2721	pack [frame $expgui(profFrame).f1] -fill both -expand true
2722	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2723	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2724	-sticky news -row 0 -column 0
2725	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2726	-sticky ns -row 0 -column 1
2727
2728	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2729	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2730
2731	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2732	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2733	frame $expgui(ProfileBox).f -bd 0
2734	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2735
2736	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2737	##############################################################################
2738	# 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
2739	array set printopts {
2740	0 "Print the reciprocal metric tensor changes"
2741	1 "Print the correlation matrix"
2742	2 "Print the Least-Squares matrices and vectors"
2743	4 "Print the linear constraint matrices"
2744	5 "Print the applied shifts and shift factors"
2745	6 "Print the reciprocal metric tensor Var-Covar terms"
2746	7 "Print all parameters for each cycle"
2747	8 "Print summary shift/esd data after last cycle"
2748	9 "Print zero/unit pole figure constraint terms"
2749	}
2750	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2751	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2752	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2753	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2754	-font $expgui(histfont) \
2755	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2756	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2757	] -row 1 -column 0 -sticky news
2758	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2759	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2760	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2761	] -row 2 -column 0 -sticky ew
2762	grid [scrollbar $expgui(lsFrame).hs.y \
2763	-command "$expgui(lsFrame).hs.lbox yview"] \
2764	-row 1 -column 1 -sticky ns
2765	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2766	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2767	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2768	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2769	SetupExtractHist
2770	}
2771	bind $expgui(lsFrame).hs.lbox <Button-3> {
2772	if $expgui(globalmode) {
2773	$expgui(lsFrame).hs.lbox selection set 0 end
2774	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2775	SetupExtractHist
2776	}
2777	}
2778
2779	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2780	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2781	set row 0
2782	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2783	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2784	-textvariable expgui(last_History)] \
2785	-row $row -column 1 -columnspan 5 -sticky w
2786	incr row
2787	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2788	grid [entry $expgui(lsFrame).f1.tit2 \
2789	-textvariable entryvar(title) -width 48] \
2790	-row $row -column 1 -columnspan 5 -sticky w
2791	set entrycmd(title) "expinfo title"
2792
2793	incr row
2794	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2795	-row $row -column 0 -columnspan 2 -pady 3
2796	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2797	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2798	-textvariable entryvar(cycles)] -row 0 -column 1
2799	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2800	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2801	] -row $row -column 2
2802	menu $expgui(lsFrame).f1.lprint.menu
2803	foreach num [lsort [array names printopts]] {
2804	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2805	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2806	-variable entryvar(printopt$num)
2807	}
2808	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2809	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2810	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2811	incr row
2812	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2813	foreach num {1 2 3 4 5 6 7 8 9} {
2814	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2815	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2816	-command "HistExtractSet $num" \
2817	-variable expgui(Fextract$num) -value 0] \
2818	-row 2 -column $num
2819	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2820	-command "HistExtractSet $num" \
2821	-variable expgui(Fextract$num) -value 1] \
2822	-row 3 -column $num
2823	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2824	# -command "HistExtractSet $num" \
2825	# -variable expgui(Fextract$num) -value 2] \
2826	# -row 4 -column $num
2827	}
2828	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2829	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2830	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2831
2832	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2833	-column 0 -columnspan 11 -row 0
2834	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2835	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2836	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2837	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2838	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2839	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2840	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2841	#-------------------------------------------------------------------------
2842	#-------------------------------------------------------------------------
2843	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2844
2845	#---- file menu button
2846	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2847	menu $expgui(fm).file.menu
2848	if $expgui(debug) {
2849	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2850	-command "reset"
2851	}
2852	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2853	-command readnewexp
2854	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2855	-command savearchiveexp
2856	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2857	-command "SaveAsFile"
2858	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2859	-command {rereadexp $expgui(expfile)}
2860	#$expgui(fm).file.menu add command -label "Close" -underline 0
2861
2862	#---- help menu button
2863	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2864	menu $expgui(fm).help.menu
2865	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2866	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2867
2868	#---- options menu button
2869	menubutton $expgui(fm).option -text Options -underline 0 \
2870	-menu $expgui(fm).option.menu
2871	menu $expgui(fm).option.menu
2872
2873	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2874	-variable expgui(archive) -underline 0
2875
2876	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2877	-label "Sort atoms by"
2878
2879	set expgui(asorttype) number
2880	menu $expgui(fm).option.menu.asort
2881	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2882	-label number -value number -variable expgui(asorttype)
2883	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2884	-label type -value type -variable expgui(asorttype)
2885	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2886	-label x -value x -variable expgui(asorttype)
2887	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2888	-label y -value y -variable expgui(asorttype)
2889	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2890	-label z -value z -variable expgui(asorttype)
2891
2892
2893	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2894	-label "Sort histograms by"
2895
2896	set expgui(hsorttype) number
2897	menu $expgui(fm).option.menu.hsort
2898	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2899	-label number -value number -variable expgui(hsorttype)
2900	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2901	-label "Histogram type" -value type -variable expgui(hsorttype)
2902	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2903	-label "Bank #" -value bank -variable expgui(hsorttype)
2904	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2905	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2906
2907	#---- Global mode menu button
2908	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2909	-label "Multiple hist. selection"
2910	menu $expgui(fm).option.menu.editmode
2911	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2912	-variable expgui(globalmode) -underline 0 -value 0\
2913	-command sethistlist
2914	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2915	-variable expgui(globalmode) -underline 0 -value 6 \
2916	-command sethistlist
2917	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2918	-variable expgui(globalmode) -underline 0 -value 1 \
2919	-command sethistlist
2920	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2921	-variable expgui(globalmode) -underline 0 -value 2 \
2922	-command sethistlist
2923	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2924	-variable expgui(globalmode) -underline 0 -value 3 \
2925	-command sethistlist
2926	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2927	-variable expgui(globalmode) -underline 0 -value 4 \
2928	-command sethistlist
2929	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2930	-variable expgui(globalmode) -underline 0 -value 5 \
2931	-command sethistlist
2932	$expgui(fm).option.menu.editmode add separator
2933	$expgui(fm).option.menu.editmode add checkbutton \
2934	-label "Group phases together" \
2935	-variable expgui(globalphasemode) \
2936	-command sethistlist
2937
2938	set expgui(globalmode) 0
2939	set expgui(globalphasemode) 1
2940
2941	if {$tcl_platform(platform) != "windows"} {
2942	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2943	-variable env(GSASBACKSPACE)
2944	}
2945	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
2946	-variable expgui(autoexpload)
2947
2948	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2949	-command "SaveOptions"
2950
2951	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2952
2953	foreach menu $expgui(menunames) {
2954	set m [string tolower $menu]
2955	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2956	-menu $expgui(fm).$m.menu] -side left
2957	menu $expgui(fm).$m.menu
2958	}
2959	pack $expgui(fm).help -side right -in $expgui(fm)
2960
2961	# add the commands in expgui_menulist
2962	foreach menu [array names expgui_menulist ] {
2963	foreach cmd $expgui_menulist($menu) {
2964	set action {}
2965	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2966	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2967	if {$action != "" && $action != "-"} {
2968	eval $expgui(fm).$menu.menu add command \
2969	-label $cmd -command [list [subst $action]]
2970	}
2971	}
2972	}
2973	# setup command help
2974	foreach cmd [array names expgui_cmdlist] {
2975	set help {}
2976	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2977	if {$help == ""} {
2978	if {$expgui(debug)} {puts "no help for $cmd"}
2979	} else {
2980	# remove
2981	regsub -all \x09 $help " " help
2982	# preserve blank lines
2983	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2984	regsub -all \x0A $help " " help
2985	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2986	regsub -all " +" $help " " help
2987	set expgui_helplist($cmd) [string trim $help]
2988	}
2989	}
2990	# set up button bar
2991	foreach cmd $expgui(buttonlist) {
2992	set action {}
2993	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2994	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2995	if {$action != ""} {
2996	pack [eval button .bar.$cmd -bg beige \
2997	-text $cmd -command [list [subst $action]]] -side left
2998	}
2999	}
3000
3001	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3002	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3003
3004
3005	# handle indirect exits
3006	wm protocol . WM_DELETE_WINDOW catchQuit
3007	bind . <Control-c> catchQuit
3008
3009	set expgui(curPhase) ""
3010	set expgui(pagenow) ""
3011	set expgui(curhist) {}
3012	set expgui(selectedatomlist) {}
3013
3014	loadexp $expgui(expfile)
3015
3016	# select the 1st phase
3017	SelectOnePhase [lindex $expmap(phaselist) 0]
3018	# select the first histogram in the list by default (if there are any)
3019	if {[llength $expmap(histlistboxcontents)] > 0} {
3020	set expgui(curhist) 0
3021	} else {
3022	set expgui(curhist) {}
3023	}
3024
3025	if !$expgui(havetix) {
3026	RaisePage lsFrame
3027	} else {
3028	.n raise lsPane
3029	set expgui(pagenow) lsFrame
3030	}

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