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source: trunk/expgui @ 61

Last change on this file since 61 was 61, checked in by toby, 14 years ago
# on 1999/02/19 18:17:14, toby did: Cleanup warnings
Property rcs:author set to `toby` Property rcs:date set to `1999/02/19 18:17:14` Property rcs:lines set to `+7 -6` Property rcs:rev set to `1.10` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 108.0 KB

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1	#!/usr/local/bin/wish
2	set expgui(Revision) {$Revision: 61 $ $Date: 2009-12-04 22:59:45 +0000 (Fri, 04 Dec 2009) $}
3
4	# to do:
5	#
6	# need to change heading and button label depending on where getExpFileName
7	# is called from
8	#
9	# fixup documentation and you are done!
10	#
11	# global background editing & profile work differently: should both
12	# start out blank with a "load from option"?
13	#
14	# idea:
15	# a scroll list for all histogram refinement flags ; click on takes you to the
16	# appropriate menu.
17	#
18	# to allow "global" access on phase page
19	# change buttons from radio to multiple
20	# -- or display all 9 cell flag/damps and all atoms
21	# make editMultipleRecords work with multiple phases, also cell flag/damp
22	# blank cell entries
23	# add phase to atom number in listing
24	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
25
26	if {$tcl_version < 8.0} {
27	tk_dialog .expFileErrorMsg "Version Error" \
28	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
29	exit
30	}
31
32	if {$argv != ""} {
33	set expgui(expfile) $argv
34	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
35	append expgui(expfile) ".EXP"
36	}
37	} else {
38	set expgui(expfile) {}
39	}
40
41	set expgui(debug) 0
42	catch {if $env(DEBUG) {set expgui(debug) 1}}
43	#set expgui(debug) 1
44
45	set expgui(havetix) 1
46	# for debugging non-Tix version set environment variable NOTIX
47	catch {if $env(NOTIX) {set expgui(havetix) 0}}
48	if $expgui(havetix) {
49	if [catch {package require Tix}] {set expgui(havetix) 0}
50	}
51	# default is archive = on
52	set expgui(archive) 1
53	# save the name of the wish executable
54	set wishshell [info nameofexecutable]
55	# misc constants
56	set expgui(coordfont) "--courier-bold-r-normal--12-"
57	set expgui(histfont) "--courier-bold-r-normal--12-"
58	set liveplot(hst) 1
59	set liveplot(legend) 1
60	set expgui(filesort) 1
61
62	#=============================================================================
63	# Store names of profile terms.
64	array set expgui {
65	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
66	sig-2 rsca s1ec s2ec }
67	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
68	gam-2 switch ptec stec difc difa zero }
69	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
70	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
71	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
72	rstr rsta rsca eta}
73	prof-C-1 {CW-type U V W asym F1 F2 }
74	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
75	L11 L22 L33 L12 L13 L23 }
76	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
77	L11 L22 L33 L12 L13 L23 }
78	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
79	}
80	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
81	#----------------------------------------------------------------
82	# where are we?
83	set expgui(script) [info script]
84	# translate links -- go six levels deep
85	foreach i {1 2 3 4 5 6} {
86	if {[file type $expgui(script)] == "link"} {
87	set link [file readlink $expgui(script)]
88	if { [file pathtype $link] == "absolute" } {
89	set expgui(script) $link
90	} {
91	set expgui(script) [file dirname $expgui(script)]/$link
92	}
93	} else {
94	break
95	}
96	}
97	# fixup relative paths
98	if {[file pathtype $expgui(script)] == "relative"} {
99	set expgui(script) [file join [pwd] $expgui(script)]
100	}
101	set expgui(scriptdir) [file dirname $expgui(script) ]
102	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
103	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
104	#----------------------------------------------------------------
105	# fetch EXP file processing routines
106	source [file join $expgui(scriptdir) readexp.tcl]
107	# commands for running GSAS programs
108	source [file join $expgui(scriptdir) gsascmds.tcl]
109	# contents of GSAS menus
110	source [file join $expgui(scriptdir) gsasmenu.tcl]
111	#---------------------------------------------------------------------------
112	# override options with locally defined values
113	if [file exists [file join $expgui(scriptdir) localconfig]] {
114	source [file join $expgui(scriptdir) localconfig]
115	}
116	if [file exists [file join ~ .gsas_config]] {
117	source [file join ~ .gsas_config]
118	}
119	#---------------------------------------------------------------------------
120	if {$expgui(expfile) != ""} {
121	if ![file exists $expgui(expfile)] {
122	update
123	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
124	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
125	error 0 "Create" "Open other"]
126	if $ans {set expgui(expfile) {}}
127	}
128	}
129	if {$expgui(expfile) == ""} {
130	# windows needs this update or focus gets screwed up after tk_getOpenFile
131	update
132	set expgui(expfile) [getExpFileName old]
133	}
134	if {$expgui(expfile) == ""} exit
135	# you've been warned this .EXP does not exist!
136	if ![file exists $expgui(expfile)] {
137	puts "creating $expgui(expfile)"
138	# create an "empty" exp file
139	createexp $expgui(expfile) \
140	[getstring "title for experiment $expgui(expfile)" 60 0]
141	}
142	catch {cd [string trim [file dirname $expgui(expfile)]]}
143
144	#
145	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
146	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
147	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
148	# load exp file and set up dialogs
149	proc loadexp {expfile} {
150	global expgui expmap entryvar entrycmd
151	global exparray
152	catch {
153	unset exparray
154	}
155	expload $expfile
156	set expgui(changed) 0
157	mapexp
158	set expgui(expModifiedLast) [file mtime $expfile]
159	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
160	# set the window/icon title
161	wm title . $expfile
162	set expgui(titleunchanged) 1
163	wm iconname . [file tail $expfile]
164
165	# set the number of phases on the phase page
166	setphases
167
168	# disable the "global options" that don't make sense based
169	# on the histograms present
170	foreach num {1 2 3 4 5} {
171	set flag($num) 0
172	}
173	foreach h $expmap(powderlist) {
174	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
175	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
176	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
177	[histinfo $h lam2] != 0.0} {set flag(3) 1}
178	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
179	[histinfo $h lam2] == 0.0} {set flag(4) 1}
180	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
181	}
182	foreach num {1 2 3 4 5} \
183	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
184	"Energy Disp Xray"} {
185	if $flag($num) {
186	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
187	} else {
188	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
189	}
190	}
191	# disable traces on entryvar until we are ready
192	set entrycmd(trace) 0
193
194	# propogate changes on the least squares page
195	set entryvar(cycles) [expinfo cycles]
196	set entrycmd(cycles) "expinfo cycles"
197	set expgui(globalmode) 0
198	set expgui(printopt) "Print Options ([expinfo print])"
199	set entryvar(title) [expinfo title]
200	global printopts
201	foreach num [array names printopts] {
202	set entrycmd(printopt$num) "printsetting $num"
203	set entryvar(printopt$num) [printsetting $num]
204	}
205	# enable traces on entryvar
206	set entrycmd(trace) 1
207	# set fo extaction on LS page
208	SetupExtractHist
209
210	# update the histogram list & the page, if shown
211	sethistlist
212
213	# update the atoms display
214	# DisplayAllAtoms noreset
215	SelectOnePhase $expgui(curPhase)
216
217	# start checking for external changes
218	afterawhile
219	}
220
221	# called to reread the .EXP file -- use after another program
222	# has changed the experiment file
223	proc rereadexp {expfile} {
224	global expgui
225	if $expgui(changed) {
226	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
227	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
228	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
229	switch $decision {
230	0 { savearchiveexp }
231	1 { }
232	2 { return }
233	}
234	}
235	loadexp $expgui(expfile)
236	}
237
238	proc CreateNewExp {} {
239	global expgui
240	set newexpfile [newexp]
241	if {$newexpfile == ""} return
242	# create an "empty" exp file
243	createexp $newexpfile \
244	[getstring "title for experiment $newexpfile" 60 0]
245	set expgui(expfile) $newexpfile
246	catch {cd [string trim [file dirname $expgui(expfile)]]}
247	loadexp $expgui(expfile)
248	}
249
250	proc SaveAsFile {} {
251	global expgui
252	set newexpfile [getExpFileName new]
253	if {$newexpfile == ""} return
254	set expgui(expfile) $newexpfile
255	catch {cd [string trim [file dirname $expgui(expfile)]]}
256	expwrite $expgui(expfile)
257	set expgui(changed) 0
258	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
259	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
260	# set the window/icon title
261	wm title . $expgui(expfile)
262	set expgui(titleunchanged) 1
263	wm iconname . [file tail $expgui(expfile)]
264	}
265
266	# called to read a different .EXP file
267	proc readnewexp {} {
268	global expgui expmap
269	if $expgui(changed) {
270	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
271	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
272	{} 0 "Save and read" "Read without Save" "Cancel read command"]
273	switch $decision {
274	0 { savearchiveexp }
275	1 { }
276	2 { return }
277	}
278	}
279	set newexpfile [getExpFileName old]
280	if {$newexpfile == ""} return
281	set expgui(expfile) $newexpfile
282	catch {cd [string trim [file dirname $expgui(expfile)]]}
283	loadexp $expgui(expfile)
284
285	# select the 1st phase
286	SelectOnePhase [lindex $expmap(phaselist) 0]
287	# select the first histogram in the list by default (if there are any)
288	if {[llength $expmap(histlistboxcontents)] > 0} {set expgui(curhist) 0}
289	if !$expgui(havetix) {
290	RaisePage lsFrame
291	} else {
292	.n raise lsPane
293	set expgui(pagenow) lsFrame
294	}
295	}
296
297	#------------- set up data read/write layer ----------------------
298	# trace routine on entryvar
299	proc entvartrace {array elem action} {
300	global expgui entrycmd entryvar
301	if !$entrycmd(trace) return
302
303	catch {
304	if {$entrycmd($elem) == ""} return
305	incr expgui(changed)
306	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
307	if {$entrycmd($elem) == ""} return
308	if [catch {
309	eval $entrycmd($elem) set [list $entryvar($elem)]
310	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
311	after idle {DisplayAllAtoms noreset}
312	}
313	} errmsg] {puts "entvartrace error: $errmsg"}
314	}
315	}
316
317	# disable traces on entryvar until we are ready
318	set entrycmd(trace) 0
319	trace variable entryvar w entvartrace
320
321	#
322	#
323	#
324	##############################################################################
325	##### #####################################################
326	##### PROCEDURES SECTION #####################################################
327	##### #####################################################
328	##############################################################################
329	# reset routine is used for debugging
330	proc reset {} {
331	global expgui script argv
332	set script $expgui(script)
333	set argv $expgui(expfile)
334	# remove traces
335	global entryvar
336	foreach cmd [trace vinfo entryvar] {
337	eval trace vdelete entryvar $cmd
338	}
339	global expgui
340	foreach cmd [trace vinfo expgui(backterms)] {
341	eval trace vdelete entryvar $cmd
342	}
343	foreach cmd [trace vinfo expgui(backtype)] {
344	eval trace vdelete entryvar $cmd
345	}
346	foreach a {
347	exparray expmap expgui entryvar entrycmd
348	expgui_menulist expgui_cmdlist expgui_helplist
349	} {
350	global $a
351	catch {unset $a}
352	}
353	foreach w [winfo children .] {
354	destroy $w
355	}
356
357	uplevel #0 {source $script}
358	}
359
360	# save some of the global options in ~/.gsas_config
361	proc SaveOptions {} {
362	global expgui env tcl_platform
363	set fp [open [file join ~ .gsas_config] a]
364	puts $fp "set expgui(archive) $expgui(archive)"
365	puts $fp "set expgui(asorttype) $expgui(asorttype)"
366	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
367	puts $fp "set expgui(filesort) $expgui(filesort)"
368	if {$tcl_platform(platform) != "windows"} {
369	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
370	}
371	close $fp
372	}
373
374	proc About { } {
375	global expgui expmap
376	tk_dialog .about {About...} \
377	"EXPGUI\n\
378	Jonathan Wasserman and Brian Toby\n\
379	NIST Center for Neutron Research\n\n\
380	1998, Not subject to copyright\n\n\
381	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
382	Generalized Structure Analysis System (GSAS)\n\
383	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
384	" \
385	info 0 OK
386	}
387
388	# wait until idle
389	proc afterawhile {} {
390	# cancel any other instances of this loop
391	after cancel afterawhile
392	after cancel whenidle
393	after cancel whenidle
394	after idle whenidle
395	}
396
397	proc whenidle {} {
398	global expgui
399	if $expgui(titleunchanged) {
400	if {$expgui(changed) != 0} {
401	wm title . "$expgui(expfile) (modified)"
402	set expgui(titleunchanged) 0
403	}
404	}
405	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
406	if {$expgui(changed) == 0} {
407	set ans [tk_dialog .expFileErrorMsg "Reload?" \
408	"File [file tail $expgui(expfile)] has been modified by another program. \
409	Do you want to load the newer version or lose the modifications \
410	by editing the current version?" \
411	warning 0 "Load new" "Continue editing"]
412	} else {
413	set ans [tk_dialog .expFileErrorMsg "Reload?" \
414	"File [file tail $expgui(expfile)] has been modified by another program \
415	and you have made $expgui(changed) changes to this version. \
416	Do you want to load the newer version or lose the modifications \
417	by continuing to edit the current version?" \
418	warning 0 "Load new" "Continue editing" "Save edited version"]
419	}
420	if {$ans == 0} {
421	loadexp $expgui(expfile)
422	} elseif {$ans == 1} {
423	# reset the time to the next version
424	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
425	} elseif {$ans == 2} {
426	savearchiveexp
427	}
428	}
429	after 2000 afterawhile
430	}
431	# -------- called to confirm before exiting
432	proc catchQuit {} {
433	if {[confirmBeforeSave] == "Continue"} {
434	destroy .
435	}
436	}
437	# save the .EXP file before exiting?
438	proc confirmBeforeSave {} {
439	global expgui
440	if !$expgui(changed) {
441	return "Continue"
442	}
443	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
444	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
445	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
446	switch $decision {
447	0 { savearchiveexp; return "Continue" }
448	1 { return "Continue" }
449	2 { return "Cancel" }
450	}
451	}
452
453	proc archiveexp {} {
454	global expgui tcl_platform
455	catch {
456	set expnam [file rootname $expgui(expfile)]
457	if {$tcl_platform(platform) == "windows"} {
458	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
459	# archive w/o pkzip
460	set files [glob -nocomplain ${expnam}!*.exp]
461	if {$files == ""} {
462	set num -1
463	} else {
464	set file [lindex [lsort -decreasing $files] 0]
465	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
466	}
467	set file $expnam![format "%3.3d" [incr num]].EXP
468	file copy $expnam.EXP $file
469	set fp [open $expnam.lst a]
470	puts $fp "\n--------------------------------------------------------------"
471	puts $fp "Archiving $expnam.EXP as $file"
472	puts $fp "--------------------------------------------------------------\n"
473	close $fp
474	} else {
475	# archive with PKZIP
476	# need to limit expnam to 8 characters
477	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
478	# PKZIP can't handle long dir names either
479	cd [set dir [file dirname $expnam]]
480	set num -1
481	# get the versions from the listing
482	if [file exists $sexp.zip] {
483	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
484	while {[gets $fp line] >= 0} {
485	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
486	catch {if {$n > $num} {set num $n}}
487	}
488	close $fp
489	}
490	incr num
491	set file $sexp.[format "%3.3d" $num]
492	file copy -force $expnam.EXP $file
493	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
494	set fp [open $expnam.lst a]
495	puts $fp "\n--------------------------------------------------------------"
496	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
497	puts $fp "--------------------------------------------------------------\n"
498	close $fp
499	}
500	} else {
501	set files [glob -nocomplain $expnam.EXP.*]
502	if {$files == ""} {
503	set file $expnam.EXP.000
504	} else {
505	set file [lindex [lsort -decreasing $files] 0]
506	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
507	incr number
508	set file $expnam.EXP.[format "%3.3d" $number]
509	}
510	exec cp $expgui(expfile) $file
511	if [catch {exec gzip $file}] {
512	exec echo "\n----------------------------------------------" >> $expnam.LST
513	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
514	exec echo "----------------------------------------------\n" >> $expnam.LST
515	} else {
516	exec echo "\n----------------------------------------------" >> $expnam.LST
517	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
518	exec echo "----------------------------------------------\n" >> $expnam.LST
519	}
520	}
521	} errmsg
522	if {$errmsg != ""} {
523	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
524	}
525	}
526
527	# save and optionally archive the expfile
528	proc savearchiveexp {} {
529	global expgui expmap
530	if !$expgui(changed) return
531	if $expgui(archive) archiveexp
532	# add a history record
533	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
534	# now save the file
535	expwrite $expgui(expfile)
536	set expgui(changed) 0
537	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
538	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
539	wm title . $expgui(expfile)
540	set expgui(titleunchanged) 1
541	}
542
543	# set the number of phases on the phase page
544	proc setphases {} {
545	global expgui expmap
546	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
547	foreach num $expmap(phaselist) {
548	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
549	-command "SelectOnePhase $num"] -side left
550	}
551	}
552
553	# Procedure to respond to changes the phase.
554	# This loads the "phases" widgets with data corresponding to the selected phase.
555	proc SelectOnePhase {num} {
556	global entryvar entrycmd expmap expgui
557	foreach n $expmap(phaselist) {
558	if {$n == $num} {
559	$expgui(phaseFrame).top.ps.$num config -relief sunken
560	} else {
561	$expgui(phaseFrame).top.ps.$n config -relief raised
562	}
563	}
564	set crsPhase $num
565	# no phase is selected
566	if {$crsPhase == ""} {
567	# disable traces on entryvar
568	set entrycmd(trace) 0
569	set entrycmd(phasename) ""
570	set entryvar(phasename) ""
571	foreach ent {a b c alpha beta gamma cellref celldamp} {
572	set entrycmd($ent) ""
573	set entryvar($ent) ""
574	}
575	# enable traces on entryvar
576	set entrycmd(trace) 1
577	return
578	}
579
580	set expgui(curPhase) $crsPhase
581	# we have a phase
582
583	# disable traces on entryvar for right now
584	set entrycmd(trace) 0
585
586	##########################################################
587	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
588	##########################################################
589	# phase title
590	set entrycmd(phasename) "phaseinfo $crsPhase name"
591	set entryvar(phasename) [phaseinfo $crsPhase name]
592	# cell parameters & flags
593	foreach ent {a b c alpha beta gamma cellref celldamp} {
594	set entrycmd($ent) "phaseinfo $crsPhase $ent"
595	set entryvar($ent) [phaseinfo $crsPhase $ent]
596	}
597
598	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
599	# initialize to diasbled
600	DisplayAtom 0 0
601	DisplayU 0 0
602	DisplayRefFlags 0 0
603	$expgui(EditingAtoms) config -text ""
604
605	DisplayAllAtoms
606
607	# enable traces on entryvar now
608	set entrycmd(trace) 1
609	}
610
611	set expgui(noreenterDisplayAllAtoms) 0
612	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
613	proc DisplayAllAtoms {"mode reset"} {
614	global entryvar entrycmd expmap expgui
615	# if it does not show, dont bother
616	if {$expgui(pagenow) != "phaseFrame"} return
617	if {$expgui(curPhase) == ""} return
618	if $expgui(noreenterDisplayAllAtoms) return
619
620	set expgui(noreenterDisplayAllAtoms) 1
621	if {$mode != "reset"} {
622	set selectlist [$expgui(atomlistbox) curselection]
623	set pos [lindex [$expgui(atomlistbox) yview] 0]
624	}
625	$expgui(atomlistbox) delete 0 end
626	# loop over atoms
627	set maxline I
628	set phase $expgui(curPhase)
629	set atomlist {}
630	if {$expgui(asorttype) == "type"} {
631	# sort on atom type
632	foreach atom $expmap(atomlist_$phase) {
633	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
634	}
635	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
636	} elseif {$expgui(asorttype) == "number"} {
637	# sort on atom number
638	foreach atom $expmap(atomlist_$phase) {
639	lappend atomlist "$atom $atom $phase"
640	}
641	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
642	} elseif {$expgui(asorttype) == "x"} {
643	# sort on x
644	foreach atom $expmap(atomlist_$phase) {
645	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
646	}
647	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
648	} elseif {$expgui(asorttype) == "y"} {
649	# sort on y
650	foreach atom $expmap(atomlist_$phase) {
651	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
652	}
653	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
654	} elseif {$expgui(asorttype) == "z"} {
655	# sort on z
656	foreach atom $expmap(atomlist_$phase) {
657	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
658	}
659	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
660	} else {
661	error "Bad expgui(asorttype = $expgui(asorttype)"
662	}
663
664	foreach tuple $expmap(atomlistboxcontents) {
665	set atom [lindex $tuple 0]
666	set phase [lindex $tuple 2]
667	set refflag {}
668	foreach type {x u f} {
669	if {[atominfo $phase $atom ${type}ref]} {
670	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
671	} else {
672	append refflag " [atominfo $phase $atom ${type}damp] "
673	}
674	}
675	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
676	$atom \
677	[atominfo $phase $atom label] \
678	[atominfo $phase $atom type] \
679	$refflag \
680	[atominfo $phase $atom x] \
681	[atominfo $phase $atom y] \
682	[atominfo $phase $atom z] \
683	[atominfo $phase $atom frac]
684	]
685	# add temperature factors (iso/anoiso)
686	if {[atominfo $phase $atom temptype] == "A"} {
687	set maxline A
688	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
689	[atominfo $phase $atom U11] \
690	[atominfo $phase $atom U22] \
691	[atominfo $phase $atom U33] \
692	[atominfo $phase $atom U12] \
693	[atominfo $phase $atom U23] \
694	[atominfo $phase $atom U13]
695	]
696	} else {
697	append line [format " %9.5f" \
698	[atominfo $phase $atom Uiso]
699	]
700	}
701	$expgui(atomlistbox) insert end $line
702	}
703	$expgui(atomtitle) delete 0 end
704	if {$maxline == "A"} {
705	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
706	" name " "type " "ref/damp " "fractional coordinates " \
707	" Occupancy" \
708	"Uiso/Uij "]
709	} else {
710	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
711	" name " "type " "ref/damp " "fractional coordinates " \
712	" Occupancy" \
713	"Uiso"]
714	}
715	if {$mode != "reset"} {
716	foreach i $selectlist {
717	$expgui(atomlistbox) selection set $i
718	$expgui(atomlistbox) yview moveto $pos
719	}
720	}
721	set expgui(noreenterDisplayAllAtoms) 0
722	}
723
724	# Procedure to select all atoms in response to a right-click
725	proc SelectAllAtoms {} {
726	global expgui
727	$expgui(atomlistbox) selection set 0 end
728	# just in case this was called at the wrong time:
729	editRecord
730	}
731
732	# Procedure to respond to left mouse release in the atoms Pane
733	proc editRecord { args } {
734	global entrycmd expgui
735	set selectIndex [$expgui(atomlistbox) curselection]
736	# disable traces on entryvar for right now
737	set entrycmd(trace) 0
738
739	if {[llength $selectIndex] == 0} {
740	puts "How did this happen: [$expgui(atomlistbox) curselection]"
741	} elseif {[llength $selectIndex] == 1} {
742	editOneRecord $selectIndex
743	} else {
744	editMultipleRecords $selectIndex
745	}
746	# reenable traces on entryvar
747	set entrycmd(trace) 1
748	# repaint the atoms box in case anything was changed
749	# DisplayAllAtoms noreset
750	}
751
752	proc editOneRecord { AtomIndex } {
753	global expmap expgui
754	# get atom number & phase
755	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
756	set atomnum [lindex $tuple 0]
757	set p [lindex $tuple 2]
758	DisplayU $atomnum $p
759	DisplayAtom $atomnum $p
760	DisplayRefFlags $atomnum $p
761	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
762	}
763
764	# this will not work for a multi-phase list of atoms (yet)
765	proc editMultipleRecords { AtomIndexList } {
766	global expmap expgui
767	set numberList {}
768	# current phase
769	set p $expgui(curPhase)
770	foreach AtomIndex $AtomIndexList {
771	# get atom number & phase
772	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
773	lappend numberList [lindex $tuple 0]
774	# set p [lindex $tuple 2]
775	}
776	# this needs to track by phase
777	$expgui(EditingAtoms) config -text \
778	"Set refinement options: atoms [CompressList $numberList]"
779	DisplayU 0 0
780	DisplayAtom 0 0
781	# this needs to track by phase
782	DisplayRefFlags $numberList $p
783	}
784
785	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
786	# becomes "1-4,6,7,13-15,19"
787	proc CompressList {numberList} {
788	# format the number list to save space
789	set lastnum -99
790	set flist {}
791	set count 0
792	foreach num [lsort -integer $numberList] {
793	set next [expr $lastnum+1]
794	if {$num != $next} {
795	if {$count == 0 && $flist != ""} {
796	append flist ",$num"
797	} elseif {$count == 1 && $flist != ""} {
798	append flist ",$lastnum,$num"
799	} elseif {$flist != ""} {
800	append flist "-$lastnum,$num"
801	} else {
802	append flist "$num"
803	}
804	set lastnum $num
805	set count 0
806	} else {
807	incr count
808	incr lastnum
809	}
810	}
811	if {$count == 1 && $flist != ""} {
812	append flist ",$lastnum"
813	} elseif {$flist != "" && $count > 1} {
814	append flist "-$lastnum"
815	}
816	return $flist
817	}
818
819	# Procedure to display Isotropic or Anisotropic temperature factors
820	# Changes the display to one entry widget for Isotropic motion OR
821	# 6 entry widgets for Anisotropic motion in Frame3.
822	# or disables the widet entirly if atom = 0
823	proc DisplayU { atomnum p} {
824	global expgui entryvar entrycmd
825	if {$atomnum == 0} {
826	set iOrA disable
827	} else {
828	set iOrA [atominfo $p $atomnum temptype]
829	}
830
831	set firstbox [lindex $expgui(anisolabels) 0]
832	if { $iOrA == "A" } {
833	$firstbox config -text "U11 "
834	foreach item $expgui(anisolabels) {
835	$item config -fg black
836	}
837	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
838	set entrycmd($var) "atominfo $p $atomnum $var"
839	set entryvar($var) [eval $entrycmd($var)]
840	$item config -fg black -state normal -bg white
841	}
842	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
843	foreach item $expgui(anisolabels) {
844	# $item config -fg grey
845	$item config -fg beige
846	}
847	foreach item [lrange $expgui(anisoentry) 1 end] \
848	var {U22 U33 U12 U13 U23} {
849	set entrycmd($var) ""
850	set entryvar($var) ""
851	$item config -fg beige -bg beige -state disabled
852	}
853	if { $iOrA == "disable"} {
854	set entrycmd($var) ""
855	set entryvar($var) ""
856	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
857	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
858	} else {
859	set entrycmd(U11) "atominfo $p $atomnum Uiso"
860	set entryvar(U11) [eval $entrycmd(U11)]
861	$firstbox config -text Uiso -fg black
862	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
863	}
864	}
865	}
866
867	# need to think about multiple phases
868
869	# Procedure to display refinement flags
870	proc DisplayRefFlags { atomnum p} {
871	global expgui entryvar entrycmd
872	if {$atomnum == 0} {
873	foreach label $expgui(atomreflbl) {
874	$label config -fg beige
875	}
876	foreach entry $expgui(atomref) {
877	$entry config -state disabled -fg beige -bg beige
878	}
879	return
880	}
881	foreach label $expgui(atomreflbl) {
882	$label config -fg black
883	}
884	foreach entry $expgui(atomref) {
885	$entry config -state normal -fg black -bg beige
886	}
887	foreach var {xref uref fref xdamp udamp fdamp} {
888	set entrycmd($var) "atominfo $p [list $atomnum] $var"
889	set entryvar($var) [eval $entrycmd($var)]
890	}
891	}
892
893	# Procedure to display an atom in the atom edit boxes
894	proc DisplayAtom { atomnum p} {
895	global expgui entryvar entrycmd
896	if {$atomnum == 0} {
897	foreach label $expgui(atomlabels) {
898	$label config -fg beige
899	}
900	foreach entry $expgui(atomentry) {
901	$entry config -state disabled -fg beige -bg beige
902	}
903	return
904	}
905	foreach label $expgui(atomlabels) {
906	$label config -fg black
907	}
908	foreach entry $expgui(atomentry) {
909	$entry config -state normal -fg black -bg white
910	}
911	foreach var {x y z label frac } {
912	set entrycmd($var) "atominfo $p $atomnum $var"
913	set entryvar($var) [eval $entrycmd($var)]
914	}
915	}
916
917	# update the histogram list
918	# to do: show histogram ref flags?
919	proc sethistlist {} {
920	global expgui expmap
921	foreach lbox $expgui(HistSelectList) {
922	$lbox.title delete 0 end
923	$lbox.lbox delete 0 end
924	if {$expgui(globalmode) != 0} {
925	$lbox.lbox config -selectmode extended
926	} else {
927	$lbox.lbox config -selectmode browse
928	}
929	}
930	# disable the unallowed pages in all mode
931	if {$expgui(globalmode) == 6} {
932	foreach pair $expgui(GlobalModeAllDisable) {
933	if {$expgui(pagenow) == [lindex $pair 0]} {
934	if !$expgui(havetix) {
935	RaisePage lsFrame
936	} else {
937	.n raise lsPane
938	set expgui(pagenow) lsFrame
939	}
940	}
941	eval [lindex $pair 1] -state disabled
942	}
943	} else {
944	foreach pair $expgui(GlobalModeAllDisable) {
945	eval [lindex $pair 1] -state normal
946	}
947	}
948	set histlist {}
949	if {$expgui(hsorttype) == "type"} {
950	# sort on histogram type
951	foreach h [lsort -integer -increasing $expmap(powderlist)] {
952	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
953	}
954	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
955	} elseif {$expgui(hsorttype) == "number"} {
956	# sort on histogram number
957	foreach h [lsort -integer -increasing $expmap(powderlist)] {
958	lappend histlist "$h $h"
959	}
960	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
961	} elseif {$expgui(hsorttype) == "bank"} {
962	# sort on original bank number
963	foreach h [lsort -integer -increasing $expmap(powderlist)] {
964	lappend histlist "$h [histinfo $h bank]"
965	}
966	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
967	} elseif {$expgui(hsorttype) == "angle"} {
968	# sort on wavelength (CW) or angle (E disp.)
969	foreach h [lsort -integer -increasing $expmap(powderlist)] {
970	if {[string range $expmap(htype_$h) 2 2] == "T"} {
971	set det [format %8.2f [histinfo $h tofangle]]
972	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
973	set det [format %8.5f [histinfo $h lam1]]
974	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
975	set det [format %8.2f [histinfo $h lam1]]
976	} else {
977	set det {}
978	}
979	lappend histlist "$h $det"
980	}
981	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
982	}
983
984	# title field needs to match longest title
985	foreach lbox $expgui(HistSelectList) {
986	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
987	"h#" \
988	type \
989	bank \
990	"ang/wave" \
991	" title" \
992	]
993	}
994	foreach tuple $expmap(histlistboxcontents) {
995	set h [lindex $tuple 0]
996
997	if {$expgui(globalmode) == 1} {
998	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
999	} elseif {$expgui(globalmode) == 2} {
1000	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1001	} elseif {$expgui(globalmode) == 3} {
1002	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1003	[histinfo $h lam2] == 0.0} continue
1004	} elseif {$expgui(globalmode) == 4} {
1005	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1006	[histinfo $h lam2] != 0.0} continue
1007	} elseif {$expgui(globalmode) == 5} {
1008	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1009	}
1010
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	foreach lbox $expgui(HistSelectList) {
1021	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1022	$h \
1023	[string range $expmap(htype_$h) 1 2] \
1024	[histinfo $h bank] \
1025	$det \
1026	[string range [histinfo $h title] 0 66] \
1027	]
1028	}
1029	}
1030	foreach set $expgui(frameactionlist) {
1031	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1032	}
1033	}
1034
1035	#-----------------------------------------------------------------------
1036	# ----------- draw Histogram page
1037	#-----------------------------------------------------------------------
1038	proc DisplayHistogram {} {
1039	global expgui entrycmd entryvar expmap
1040
1041	# display the selected histograms
1042	$expgui(histFrame).hs.lbox selection clear 0 end
1043	foreach h $expgui(curhist) {
1044	$expgui(histFrame).hs.lbox selection set $h
1045	}
1046
1047	# disable traces on entryvar for right now
1048	set entrycmd(trace) 0
1049
1050	# get histogram list
1051	set histlist {}
1052	foreach item $expgui(curhist) {
1053	lappend histlist [lindex $expmap(powderlist) $item]
1054	}
1055	# must have at least one histogram selected here
1056	if {[llength $histlist] == 0} {
1057	set expgui(backtermlbl) ""
1058	set expgui(backtypelbl) ""
1059	foreach var {bref bdamp} {
1060	set entrycmd($var) ""
1061	set entryvar($var) ""
1062	}
1063	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1064	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1065	set expgui(bkglbl) ""
1066	eval destroy [grid slaves $expgui(diffBox)]
1067	set entrycmd(trace) 1
1068	return
1069	}
1070
1071	if {$expgui(globalmode) != 0} {
1072	set expgui(backtermlbl) ""
1073	set expgui(backtypelbl) ""
1074	foreach var {bref bdamp} {
1075	set entrycmd($var) "histinfo [list $histlist] $var"
1076	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1077	}
1078	} else {
1079	set hist $histlist
1080	set terms [histinfo $hist backterms]
1081	set expgui(backtermlbl) "($terms terms)"
1082	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1083	foreach var {bref bdamp} {
1084	set entrycmd($var) "histinfo $hist $var"
1085	set entryvar($var) [eval $entrycmd($var)]
1086	}
1087	}
1088	# Top box
1089	if {$expgui(globalmode) != 0} {
1090	$expgui(histFrame).top.txt config \
1091	-text "Selected Histograms: [CompressList $histlist]"
1092	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1093	set expgui(bkglbl) "Globally Edit Background"
1094	} else {
1095	grid forget $expgui(histFrame).top
1096	set expgui(bkglbl) "Edit Background"
1097	}
1098
1099	# diffractometer constants
1100	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1101	wref pref dcref daref ratref ttref zref } {
1102	set entrycmd($var) "histinfo [list $histlist] $var"
1103	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1104	}
1105
1106	eval destroy [grid slaves $expgui(diffBox)]
1107	if {$expgui(globalmode) == 0} {
1108	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1109	#------
1110	# TOF \|
1111	#------
1112	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1113	-column 1 -row 1
1114	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1115	-column 2 -row 1
1116	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1117	-column 3 -row 1 -sticky w
1118	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1119	-width 15 ] -column 4 -row 1
1120	#
1121	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1122	-column 1 -row 2
1123	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1124	-column 2 -row 2
1125	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1126	-column 3 -row 2
1127	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1128	-width 15 ] -column 4 -row 2
1129	#
1130	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1131	-column 3 -row 3
1132	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1133	-width 15 ] -column 4 -row 3
1134	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1135	-column 1 -row 3 -sticky w
1136	grid [ checkbutton $expgui(diffBox).rfDCzref \
1137	-variable entryvar(zref) ] -column 2 -row 3
1138	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1139	#---------------
1140	# CW - neutron \|
1141	#---------------
1142	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1143	-column 1 -row 1
1144	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1145	-column 2 -row 1
1146	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1147	-column 3 -row 1 -sticky w
1148	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1149	-width 15 ] -column 4 -row 1
1150	#
1151	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1152	-column 1 -row 3 -sticky w
1153	grid [ checkbutton $expgui(diffBox).rfDCzref \
1154	-variable entryvar(zref) ] -column 2 -row 3
1155	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1156	-column 3 -row 3
1157	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1158	-width 15 ] -column 4 -row 3
1159	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1160	[histinfo $hist lam2] == 0.0} {
1161	#--------------------------
1162	# CW - x-ray 1 wavelength \|
1163	#--------------------------
1164	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1165	-column 1 -row 1
1166	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1167	-column 2 -row 1
1168	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1169	-column 3 -row 1 -sticky w
1170	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1171	-width 15 ] -column 4 -row 1
1172	#
1173	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1174	-column 1 -row 3 -sticky w
1175	grid [ checkbutton $expgui(diffBox).rfDCzref \
1176	-variable entryvar(zref) ] -column 2 -row 3
1177	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1178	-column 3 -row 3
1179	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1180	-width 15 ] -column 4 -row 3
1181	#
1182	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1183	-column 1 -row 4 -sticky w
1184	grid [ checkbutton $expgui(diffBox).rfDCpref \
1185	-variable entryvar(pref) ] -column 2 -row 4
1186	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1187	-column 3 -row 4
1188	grid [ entry $expgui(diffBox).eDCpola \
1189	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1190	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1191	-column 5 -row 4
1192	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1193	-textvariable entryvar(ipola)] -column 6 -row 4
1194	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1195	#---------------------------
1196	# CW - x-ray 2 wavelengths \|
1197	#---------------------------
1198	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1199	-column 3 -row 1 -sticky w
1200	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1201	-width 15 ] -column 4 -row 1
1202	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1203	-width 15 ] -column 5 -row 1
1204	#
1205	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1206	-column 1 -row 2 -sticky w
1207	grid [ checkbutton $expgui(diffBox).rfDCrref \
1208	-variable entryvar(ratref) ] -column 2 -row 2
1209	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1210	-column 3 -row 2
1211	grid [ entry $expgui(diffBox).eDCkratio \
1212	-textvariable entryvar(kratio) \
1213	-width 15 ] -column 4 -row 2
1214	#
1215	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1216	-column 3 -row 3
1217	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1218	-width 15 ] -column 4 -row 3
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).lDCpref -text "Refine POLA" ] \
1224	-column 1 -row 4 -sticky w
1225	grid [ checkbutton $expgui(diffBox).rfDCpref \
1226	-variable entryvar(pref) ] -column 2 -row 4
1227	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1228	-column 3 -row 4
1229	grid [ entry $expgui(diffBox).eDCpola \
1230	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1231	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1232	-column 5 -row 4
1233	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1234	-textvariable entryvar(ipola)] -column 6 -row 4
1235	-variable entryvar(zref) ] -column 2 -row 3
1236	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1237	#-------------
1238	# ED - x-ray \|
1239	#-------------
1240	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1241	-column 1 -row 1
1242	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1243	-column 2 -row 1
1244	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1245	-column 3 -row 1 -sticky w
1246	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1247	-width 15 ] -column 4 -row 1
1248	#
1249	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1250	-column 1 -row 4 -sticky w
1251	grid [ checkbutton $expgui(diffBox).rfDCpref \
1252	-variable entryvar(pref) ] -column 2 -row 4
1253	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1254	-column 3 -row 4
1255	grid [ entry $expgui(diffBox).eDCpola \
1256	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1257	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1258	-column 5 -row 4
1259	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1260	-textvariable entryvar(ipola)] -column 6 -row 4
1261	}
1262	} elseif {$expgui(globalmode) == 1} {
1263	#-------------
1264	# Global TOF \|
1265	#-------------
1266	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1267	-column 1 -row 1
1268	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1269	-column 2 -row 1
1270	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1271	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1272	#
1273	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1274	-column 1 -row 2
1275	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1276	-column 2 -row 2
1277	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1278	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1279	#
1280	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1281	-column 1 -row 3 -sticky w
1282	grid [ checkbutton $expgui(diffBox).rfDCzref \
1283	-variable entryvar(zref) ] -column 2 -row 3
1284	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1285	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1286	} elseif {$expgui(globalmode) == 2} {
1287	#--------------------
1288	# Global CW neutron \|
1289	#--------------------
1290	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1291	-column 1 -row 1
1292	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1293	-column 2 -row 1
1294	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1295	-command "editglobalparm histinfo lam1 Wavelength"] \
1296	-column 3 -row 1
1297	#
1298	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1299	-column 1 -row 3 -sticky w
1300	grid [ checkbutton $expgui(diffBox).rfDCzref \
1301	-variable entryvar(zref) ] -column 2 -row 3
1302	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1303	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1304	} elseif {$expgui(globalmode) == 4} {
1305	#----------------------
1306	# Global CW mono xray \|
1307	#----------------------
1308	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1309	-column 1 -row 1
1310	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1311	-column 2 -row 1
1312	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1313	-command "editglobalparm histinfo lam1 Wavelength"] \
1314	-column 3 -row 1
1315	#
1316	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1317	-column 1 -row 3 -sticky w
1318	grid [ checkbutton $expgui(diffBox).rfDCzref \
1319	-variable entryvar(zref) ] -column 2 -row 3
1320	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1321	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1322	#
1323	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1324	-column 1 -row 4 -sticky w
1325	grid [ checkbutton $expgui(diffBox).rfDCpref \
1326	-variable entryvar(pref) ] -column 2 -row 4
1327	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1328	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1329	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1330	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1331	} elseif {$expgui(globalmode) == 3} {
1332	#------------------------
1333	# Global alpha 1,2 xray \|
1334	#------------------------
1335	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1336	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1337	-column 3 -row 1
1338	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1339	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1340	-column 4 -row 1
1341	#
1342	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1343	-column 1 -row 3 -sticky w
1344	grid [ checkbutton $expgui(diffBox).rfDCratref \
1345	-variable entryvar(ratref) ] -column 2 -row 3
1346	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1347	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1348	-column 3 -row 3
1349	#
1350	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1351	-column 1 -row 3 -sticky w
1352	grid [ checkbutton $expgui(diffBox).rfDCzref \
1353	-variable entryvar(zref) ] -column 2 -row 3
1354	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1355	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1356	#
1357	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1358	-column 1 -row 4 -sticky w
1359	grid [ checkbutton $expgui(diffBox).rfDCpref \
1360	-variable entryvar(pref) ] -column 2 -row 4
1361	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1362	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1363	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1364	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1365	} elseif {$expgui(globalmode) == 5} {
1366	#-----------------
1367	# Global ED xray \|
1368	#-----------------
1369	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1370	-column 1 -row 1
1371	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1372	-column 2 -row 1
1373	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1374	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1375	-column 3 -row 1
1376	#
1377	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1378	-column 1 -row 4 -sticky w
1379	grid [ checkbutton $expgui(diffBox).rfDCpref \
1380	-variable entryvar(pref) ] -column 2 -row 4
1381	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1382	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1383	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1384	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1385	}
1386	if {$expgui(globalmode) == 0} {
1387	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1388	-columnspan 2 -sticky e
1389	} else {
1390	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1391	-columnspan 2 -sticky e
1392	}
1393	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1394	-column 1 -row 1
1395	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1396	grid $expgui(diffBox).d.om -column 2 -row 1
1397	grid columnconfigure $expgui(diffBox) 9 -weight 1
1398	grid columnconfigure $expgui(diffBox) 0 -weight 1
1399	update idletasks
1400	# enable traces on entryvar now
1401	set entrycmd(trace) 1
1402	}
1403
1404	#-----------------------------------------------------------------------
1405	# populate the Scaling page
1406	#-----------------------------------------------------------------------
1407	proc DisplayFrac {} {
1408	global expgui entrycmd entryvar expmap
1409
1410	# display the selected histograms
1411	$expgui(fracFrame).hs.lbox selection clear 0 end
1412	foreach h $expgui(curhist) {
1413	$expgui(fracFrame).hs.lbox selection set $h
1414	}
1415
1416	# disable traces on entryvar
1417	set entrycmd(trace) 0
1418
1419	# get histogram list
1420	set histlist {}
1421	foreach item $expgui(curhist) {
1422	lappend histlist [lindex $expmap(powderlist) $item]
1423	}
1424
1425	# must have at least one histogram selected here
1426	if {[llength $histlist] == 0} {
1427	foreach var {scale sref sdamp} {
1428	set entrycmd($var) ""
1429	set entryvar($var) ""
1430	}
1431	set parm [grid info $expgui(scaleBox).but1]
1432	if {$parm != ""} {
1433	grid forget $expgui(scaleBox).but1
1434	eval grid $expgui(scaleBox).ent1 $parm
1435	}
1436	# destroy the contents of the frame
1437	set phaseFractf1 $expgui(FracBox).f
1438	eval destroy [grid slaves $phaseFractf1]
1439	# reenable traces on entryvar
1440	set entrycmd(trace) 1
1441	return
1442	}
1443
1444	#--------------
1445	# Scale factor
1446	#--------------
1447	if {$expgui(globalmode) != 0} {
1448	foreach var {scale sref sdamp} {
1449	set entrycmd($var) "histinfo [list $histlist] $var"
1450	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1451	}
1452	set parm [grid info $expgui(scaleBox).ent1]
1453	if {$parm != ""} {
1454	grid forget $expgui(scaleBox).ent1
1455	eval grid $expgui(scaleBox).but1 $parm
1456	}
1457	} else {
1458	set hist $histlist
1459	foreach var {scale sref sdamp} {
1460	set entrycmd($var) "histinfo $hist $var"
1461	set entryvar($var) [eval $entrycmd($var)]
1462	}
1463	set parm [grid info $expgui(scaleBox).but1]
1464	if {$parm != ""} {
1465	grid forget $expgui(scaleBox).but1
1466	eval grid $expgui(scaleBox).ent1 $parm
1467	}
1468	}
1469
1470	#----------------
1471	# Phase Fractions
1472	#----------------
1473	set phaseFractf1 $expgui(FracBox).f
1474	# destroy the contents of the frame
1475	eval destroy [grid slaves $phaseFractf1]
1476	if {$expgui(globalmode) != 0} {
1477	grid [label $phaseFractf1.txt -anchor center \
1478	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1479	-column 0 -row 0 -sticky news
1480	} else {
1481	grid [label $phaseFractf1.txt -anchor center \
1482	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1483	}
1484	# Create the frame inside the canvas, One frame for each Phase.
1485	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1486	foreach hist $histlist {
1487	foreach i $expmap(phaselist_$hist) {
1488	lappend phasehistlist($i) $hist
1489	}
1490	}
1491	foreach i {1 2 3 4 5 6 7 8 9} {
1492	if {[llength $phasehistlist($i)] == 0} continue
1493	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1494	grid $framePF -column 0 -row $i -sticky ew
1495	# Label Heading for each phase.
1496	if {$expgui(globalmode) != 0} {
1497	grid [label $framePF.l1 \
1498	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1499	-column 0 -row 0 -sticky nws
1500	grid [button $framePF.but1 -text "Set Globally" \
1501	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1502	[list $phasehistlist($i)] $i" \
1503	] -column 1 -row 0
1504	} else {
1505	grid [label $framePF.l1 -text "Phase $i fraction"] \
1506	-column 0 -row 0 -sticky nws
1507	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1508	-column 1 -row 0
1509	}
1510	set entrycmd(frac$i) "hapinfo $hist $i frac"
1511	set entryvar(frac$i) [hapinfo $hist $i frac]
1512	grid [label $framePF.l2 -text " Refine"] \
1513	-column 2 -row 0 -sticky nws
1514	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1515	-column 3 -row 0 -sticky nws
1516	set entrycmd(frref$i) "hapinfo $hist $i frref"
1517	set entryvar(frref$i) [hapinfo $hist $i frref]
1518	grid [label $framePF.l3 -text " Damping"] \
1519	-column 4 -row 0 -sticky nws
1520	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1521	0 1 2 3 4 5 6 7 8 9
1522	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1523	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1524	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1525	}
1526	# resize the scroll window to match the actual
1527	update idletasks
1528	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1529	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1530	update idletasks
1531	# enable traces on entryvar now
1532	set entrycmd(trace) 1
1533	}
1534
1535	#-----------------------------------------------------------------------
1536	# display the profile page
1537	#-----------------------------------------------------------------------
1538	proc DisplayProfile {} {
1539	global expgui entrycmd entryvar expmap
1540	$expgui(profFrame).hs.lbox selection clear 0 end
1541	foreach h $expgui(curhist) {
1542	$expgui(profFrame).hs.lbox selection set $h
1543	}
1544
1545	# destroy the contents of the frame
1546	eval destroy [grid slaves $expgui(ProfileBox).f]
1547
1548	if {$expgui(globalmode) == 0} {
1549	# must have at least one histogram selected here
1550	if {[llength $expgui(curhist)] == 0} return
1551	# disable traces on entryvar for right now
1552	set entrycmd(trace) 0
1553	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1554	# Create one frame for each Phase.
1555	set ind -1
1556	set htype [string range $expmap(htype_$hist) 2 2]
1557	foreach i $expmap(phaselist_$hist) {
1558	incr ind
1559	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1560	-column 0 -row $ind -sticky ew
1561	grid [frame $expgui(ProfileBox).f.$i.1] \
1562	-column 0 -row 0 -columnspan 10 -sticky ew
1563	# Label Heading for each phase.
1564	set ptype [string trim [hapinfo $hist $i proftype]]
1565	pack [label $expgui(ProfileBox).f.$i.1.l \
1566	-text "Phase $i -- type $ptype Damping"]\
1567	-side left
1568	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1569	0 1 2 3 4 5 6 7 8 9
1570	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1571	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1572	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1573	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1574	-text " Peak cutoff"]\
1575	-side left
1576	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1577	-width 10 -textvariable entryvar(pcut_$i)]\
1578	-side left
1579	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1580	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1581
1582	set col -1
1583	set row 1
1584	set nterms [hapinfo $hist $i profterms]
1585	set lbls $expgui(prof-$htype-$ptype)
1586	# for type 4, add extra terms depending on the cell type
1587	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1588	for { set num 1 } { $num <= $nterms } { incr num } {
1589	set term {}
1590	catch {set term [lindex $lbls $num]}
1591	if {$term == ""} {set term $num}
1592	incr col
1593	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1594	-row $row -column $col
1595	incr col
1596	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1597	-variable entryvar(pref${num}_$i)] -row $row -column $col
1598	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1599	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1600	incr col
1601	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1602	-textvariable entryvar(pterm${num}_$i)\
1603	-width 12] -row $row -column $col
1604	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1605	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1606	if {$col > 6} {set col -1; incr row}
1607	}
1608	}
1609	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1610	} else {
1611	# get histogram list
1612	set histlist {}
1613	foreach item $expgui(curhist) {
1614	lappend histlist [lindex $expmap(powderlist) $item]
1615	}
1616	# must have at least one histogram selected here
1617	if {[llength $histlist] == 0} return
1618	# disable traces on entryvar for right now
1619	set entrycmd(trace) 0
1620	# loop through histograms & phases, set up an array by type
1621	catch {unset ptypearray histarray phasearray}
1622	foreach hist $histlist {
1623	foreach i $expmap(phaselist_$hist) {
1624	set ptype [string trim [hapinfo $hist $i proftype]]
1625	lappend ptypearray(${ptype}_$i) $hist
1626	lappend histarray($ptype) $hist
1627	lappend phasearray($ptype) $i
1628	}
1629	}
1630
1631	set ptype ""
1632	set title ""
1633	set ind -1
1634	foreach key "[lsort [array names ptypearray]] 0_0" {
1635	# split key
1636	scan $key %d_%d type p
1637	# 1st time through
1638	if {$ptype == ""} {set ptype $type}
1639	if {$ptype == $type} {
1640	# we've seen this one before
1641	if {$title != ""} {append title "\n"}
1642	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1643	} else {
1644	set hist [lindex $histarray($ptype) 0]
1645	set phase [lindex $phasearray($ptype) 0]
1646	set nterms [hapinfo $hist $phase profterms]
1647	set htype [string range $expmap(htype_$hist) 2 2]
1648	set lbls $expgui(prof-$htype-$ptype)
1649	set i $ptype
1650	# Create one frame for this type
1651	incr ind
1652	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1653	-column 0 -row $ind -sticky ew
1654	grid [frame $expgui(ProfileBox).f.$i.0] \
1655	-column 0 -row 0 -columnspan 20 -sticky ew
1656	grid [label $expgui(ProfileBox).f.$i.0.0 \
1657	-text "Profile Type $ptype "] -row 0 -column 0
1658	grid [label $expgui(ProfileBox).f.$i.0.1 \
1659	-text $title -anchor w] -row 0 -column 1
1660	grid [frame $expgui(ProfileBox).f.$i.1] \
1661	-column 0 -row 1 -columnspan 20 -sticky ew
1662	grid [label $expgui(ProfileBox).f.$i.1.2 \
1663	-text "Damping"] -row 0 -column 2
1664	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1665	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1666	set entrycmd(pdamp_$ptype) "hapinfo \
1667	[list $histarray($ptype)] \
1668	[list $phasearray($ptype)] pdamp"
1669	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1670	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1671	grid [button $expgui(ProfileBox).f.$i.1.edit \
1672	-text "Global Edit" \
1673	-command "EditProfile [list $title] \
1674	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1675	] -row 0 -column 4 -sticky w
1676	# for type 4, add extra terms depending on the cell type
1677	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1678	set col -1
1679	set row 2
1680	for { set num 1 } { $num <= $nterms } { incr num } {
1681	set term {}
1682	catch {set term [lindex $lbls $num]}
1683	if {$term == ""} {set term $num}
1684	incr col
1685	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1686	-row $row -column $col
1687	incr col
1688	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1689	-variable entryvar(pref${num}_$i)] \
1690	-row $row -column $col
1691	set entrycmd(pref${num}_$i) "hapinfo \
1692	[list $histarray($ptype)] \
1693	[list $phasearray($ptype)] pref$num"
1694	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1695	if {$col > 10} {set col -1; incr row}
1696	}
1697	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1698	set ptype ""
1699	}
1700	}
1701	}
1702
1703	# resize the scroll window to match the actual
1704	update idletasks
1705	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1706	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1707	update idletasks
1708	# enable traces on entryvar now
1709	set entrycmd(trace) 1
1710	}
1711
1712	# profile labels for type 4 profile
1713	proc type4lbls {lbls nterms phase} {
1714	if {$nterms == 14} {
1715	# cubic
1716	lappend lbls S400 S220
1717	} elseif {$nterms == 15} {
1718	# hexagonal
1719	lappend lbls S400 S004 S202
1720	} elseif {$nterms == 16} {
1721	# tetragonal or rhombohedral
1722	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1723	# rhombohedral
1724	lappend lbls S400 S220 S310 S211
1725	} else {
1726	lappend lbls S400 S004 S220 S202
1727	}
1728	} elseif {$nterms == 18} {
1729	# orthorhombic
1730	lappend lbls S400 S040 S004 S220 S202 S022
1731	} elseif {$nterms == 21} {
1732	# monoclinic
1733	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1734	} elseif {$nterms == 25} {
1735	# triclinic
1736	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1737	S130 S301 S013 S211 S121 S112
1738	}
1739	return $lbls
1740	}
1741
1742	# process the bit settings in the print options
1743	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1744	proc printsetting {bitnum "action get" "value {}"} {
1745	global entryvar expgui
1746	if {$action == "get"} {
1747	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1748	} elseif $value {
1749	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1750	} else {
1751	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1752	}
1753	expinfo print set $newval
1754	set expgui(printopt) "Print Options ([expinfo print])"
1755	}
1756
1757	# need to respond to mouse presses -- control variable associated with extract Fobs
1758	# and set the LeBail extraction flags
1759	proc SetupExtractHist {} {
1760	global expgui entrycmd entryvar expmap
1761
1762	# display the selected histograms
1763	$expgui(lsFrame).hs.lbox selection clear 0 end
1764	foreach h $expgui(curhist) {
1765	$expgui(lsFrame).hs.lbox selection set $h
1766	}
1767
1768	# get histogram list
1769	set histlist {}
1770	foreach item $expgui(curhist) {
1771	set hist [lindex $expmap(powderlist) $item]
1772	if {$hist != ""} {lappend histlist $hist}
1773	}
1774	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1775	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1776	foreach phase {1 2 3 4 5 6 7 8 9} {
1777	$expgui(lsFrame).f1.a.l$phase config -fg grey
1778	set expgui(Fextract$phase) {}
1779	foreach item $expgui(ExtractSettingsRadiobuttons) {
1780	${item}$phase config -state disabled -bd 1
1781	}
1782	}
1783	} elseif {[llength $histlist] == 1} {
1784	# disable traces on entryvar
1785	set entrycmd(trace) 0
1786	set entryvar(fobsextract) [histinfo $histlist foextract]
1787	foreach phase {1 2 3 4 5 6 7 8 9} {
1788	# is the phase present?
1789	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1790	$expgui(lsFrame).f1.a.l$phase config -fg grey
1791	set expgui(Fextract$phase) {}
1792	foreach item $expgui(ExtractSettingsRadiobuttons) {
1793	${item}$phase config -state disabled -bd 1
1794	}
1795	} else {
1796	$expgui(lsFrame).f1.a.l$phase config -fg black
1797	foreach item $expgui(ExtractSettingsRadiobuttons) {
1798	${item}$phase config -state normal -bd 2
1799	}
1800	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1801	}
1802	}
1803	} elseif {[llength $histlist] > 1} {
1804	# disable traces on entryvar
1805	set entrycmd(trace) 0
1806	# multiple histograms need phases in any histogram
1807	foreach phase {1 2 3 4 5 6 7 8 9} {
1808	set gotphase($phase) 0
1809	}
1810	foreach hist $histlist {
1811	foreach phase $expmap(phaselist_$hist) {
1812	set gotphase($phase) 1
1813	}
1814	}
1815	foreach phase {1 2 3 4 5 6 7 8 9} {
1816	set expgui(Fextract$phase) {}
1817	if $gotphase($phase) {
1818	$expgui(lsFrame).f1.a.l$phase config -fg black
1819	foreach item $expgui(ExtractSettingsRadiobuttons) {
1820	${item}$phase config -state normal -bd 2
1821	}
1822	} else {
1823	$expgui(lsFrame).f1.a.l$phase config -fg grey
1824	foreach item $expgui(ExtractSettingsRadiobuttons) {
1825	${item}$phase config -state disabled -bd 1
1826	}
1827	}
1828	}
1829	}
1830	# reenable traces
1831	set entrycmd(trace) 1
1832	}
1833	# respond to a change in the fobs extraction method for a phase
1834	# force the main extraction flag on, if fobs extraction is selected for any phase
1835	proc HistExtractSet {phase} {
1836	global expgui entryvar expmap
1837	foreach item $expgui(curhist) {
1838	lappend histlist [lindex $expmap(powderlist) $item]
1839	}
1840	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1841	incr expgui(changed)
1842	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1843	}
1844	#---------------------------- Global Edit Functions ------------------------
1845	proc editbackground {} {
1846	global expgui expmap entrycmd
1847	set histlist {}
1848	foreach n $expgui(curhist) {
1849	lappend histlist [lindex $expmap(powderlist) $n]
1850	}
1851	if {[llength $histlist] == 0} return
1852
1853	set w .back
1854	catch {destroy $w}
1855	toplevel $w -bg beige
1856	if {$expgui(globalmode) != 0} {
1857	wm title $w "Edit Background"
1858	} else {
1859	wm title $w "Global Edit Background"
1860	}
1861
1862	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1863	] -side top -expand yes -fill both
1864	if {[llength $histlist] > 1} {
1865	grid [label $w.0.a \
1866	-text "Setting background terms for histograms [CompressList $histlist]" \
1867	-bg beige] -row 0 -column 0 -columnspan 10
1868	} else {
1869	grid [label $w.0.a \
1870	-text "Setting background terms for histogram $histlist" \
1871	-bg beige] -row 0 -column 0 -columnspan 10
1872	}
1873	set hist [lindex $histlist 0]
1874	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1875
1876	# disable traces on expgui(backtype) & expgui(backterms) now
1877	set entrycmd(trace) 0
1878
1879	# number of terms
1880	set expgui(backtype) [histinfo $hist backtype]
1881	set expgui(orig_backtype) $expgui(backtype)
1882	set expgui(prev_backtype) $expgui(backtype)
1883	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1884	grid $w.0.type -row 1 -column 1
1885	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1886
1887	# function type
1888	set expgui(backterms) [histinfo $hist backterms]
1889	set expgui(orig_backterms) $expgui(backterms)
1890	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1891	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1892	grid $w.0.terms -row 1 -column 3
1893	# enable traces on expgui(backtype) & expgui(backterms) now
1894	set entrycmd(trace) 1
1895
1896	#set background terms
1897	for {set num 1 } { $num <= 36 } { incr num } {
1898	set var "bterm$num"
1899	set expgui($var) {}
1900	set expgui(orig_$var) {}
1901	}
1902	if {[llength $histlist] == 1} {
1903	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1904	set var "bterm$num"
1905	set expgui($var) [histinfo $histlist $var]
1906	set expgui(orig_$var) $expgui($var)
1907	}
1908	}
1909
1910	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1911	-expand yes -fill both
1912	ShowBackTerms $w.1
1913
1914	set expgui(temp) {}
1915	pack [frame $w.b] -side top
1916	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1917	pack [button $w.b.3 -text Quit \
1918	-command "QuitEditBackground $w"] -side left
1919	# force the window to stay on top
1920	wm transient $w [winfo toplevel [winfo parent $w]]
1921
1922	bind $w <Return> "destroy $w"
1923	wm withdraw $w
1924	update idletasks
1925	# center the new window in the middle of the parent
1926	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
1927	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
1928	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
1929	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
1930	wm geom $w +$x+$y
1931	wm deiconify $w
1932
1933	set oldFocus [focus]
1934	set oldGrab [grab current $w]
1935	if {$oldGrab != ""} {
1936	set grabStatus [grab status $oldGrab]
1937	}
1938	grab $w
1939	focus $w.b.2
1940	tkwait window $w
1941
1942	catch {focus $oldFocus}
1943	if {$oldGrab != ""} {
1944	if {$grabStatus == "global"} {
1945	grab -global $oldGrab
1946	} else {
1947	grab $oldGrab
1948	}
1949	}
1950	if {$expgui(temp) != ""} return
1951
1952	if {$expgui(orig_backtype) != $expgui(backtype)} {
1953	histinfo $histlist backtype set $expgui(backtype)
1954	incr expgui(changed)
1955	}
1956	if {$expgui(orig_backterms) != $expgui(backterms)} {
1957	histinfo $histlist backterms set $expgui(backterms)
1958	incr expgui(changed)
1959	}
1960	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1961	set var "bterm$num"
1962	if {$expgui(orig_$var) != $expgui($var)} {
1963	histinfo $histlist $var set $expgui($var)
1964	incr expgui(changed)
1965	}
1966	}
1967
1968	if {$expgui(globalmode) == 0} {
1969	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1970	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1971	}
1972	}
1973
1974	trace variable expgui(backterms) w ChangeBackTerms
1975	proc ChangeBackTerms {a b c} {
1976	global entrycmd expgui
1977	if !$entrycmd(trace) return
1978	ShowBackTerms .back.1
1979	}
1980
1981	trace variable expgui(backtype) w ChangeBackType
1982	# reset the terms to 1, 0, 0... when the number of terms increase
1983	proc ChangeBackType {a b c} {
1984	global entrycmd expgui
1985	if !$entrycmd(trace) return
1986	if {$expgui(prev_backtype) == $expgui(backtype)} return
1987	set expgui(prev_backtype) $expgui(backtype)
1988	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1989	set var "bterm$num"
1990	if {$num == 1} {
1991	set expgui($var) 1.0
1992	} else {
1993	set expgui($var) 0.0
1994	}
1995	}
1996	}
1997
1998	proc ShowBackTerms {w } {
1999	global expgui expmap
2000	# destroy the contents of the frame
2001	eval destroy [grid slaves $w]
2002	set histlist {}
2003	foreach n $expgui(curhist) {
2004	lappend histlist [lindex $expmap(powderlist) $n]
2005	}
2006	set widgetsPerRow 4
2007	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2008	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2009	set var "bterm$num"
2010	grid [label $w.l$num -text $num -bg beige] \
2011	-row $rows -column $cols -sticky nes
2012	incr cols
2013	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2014	] -row $rows -column $cols -sticky news
2015	incr cols
2016	}
2017	}
2018	}
2019
2020	proc QuitEditBackground {w} {
2021	global expgui
2022	# lets find out if anything changed
2023	set changed 0
2024	if {$expgui(orig_backtype) != $expgui(backtype)} {
2025	set changed 1
2026	}
2027	if {$expgui(orig_backterms) != $expgui(backterms)} {
2028	set changed 1
2029	}
2030	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2031	set var "bterm$num"
2032	if {$expgui(orig_$var) != $expgui($var)} {
2033	set changed 1
2034	break
2035	}
2036	}
2037	if $changed {
2038	set decision [tk_dialog .changes "Abandon Changes" \
2039	"You have made changes to the background. Ok to abandon changes?" \
2040	warning 0 Abandon Keep]
2041	if !$decision {
2042	set expgui(temp) "Quit"
2043	destroy $w
2044	}
2045	} else {
2046	set expgui(temp) "Quit"
2047	destroy $w
2048	}
2049	}
2050
2051	# this probably needs work
2052	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2053	global expgui expmap
2054	set w .global
2055	catch {destroy $w}
2056	toplevel $w -bg beige
2057	wm title $w "Edit Global Parameter"
2058	set expgui(temp) {}
2059	if {[llength $histlist] == 0} {
2060	set hist {}
2061	foreach n $expgui(curhist) {
2062	lappend hist [lindex $expmap(powderlist) $n]
2063	}
2064	} else {
2065	set hist $histlist
2066	}
2067	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2068	-side top -expand yes -fill both
2069	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2070	-bg beige] \
2071	-row 0 -column 0 -columnspan 10
2072	grid [entry $w.0.b -textvariable expgui(temp)] \
2073	-row 1 -column 0
2074
2075
2076	pack [frame $w.b] -side top
2077	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2078	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2079	# force the window to stay on top
2080	wm transient $w [winfo toplevel [winfo parent $w]]
2081
2082	bind $w <Return> "destroy $w"
2083	wm withdraw $w
2084	update idletasks
2085	# center the new window in the middle of the parent
2086	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2087	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2088	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2089	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2090	wm geom $w +$x+$y
2091	wm deiconify $w
2092
2093	set oldFocus [focus]
2094	set oldGrab [grab current $w]
2095	if {$oldGrab != ""} {
2096	set grabStatus [grab status $oldGrab]
2097	}
2098	grab $w
2099	focus $w.b.2
2100	tkwait window $w
2101	if {$expgui(temp) != ""} {
2102	foreach h $hist {
2103	if {$cmd == "histinfo"} {
2104	histinfo $h $variable set $expgui(temp)
2105	incr expgui(changed)
2106	if $expgui(debug) {
2107	puts "histinfo $h $variable set $expgui(temp)"
2108	}
2109	} elseif {$cmd == "hapinfo"} {
2110	hapinfo $h $phase $variable set $expgui(temp)
2111	incr expgui(changed)
2112	if $expgui(debug) {
2113	puts "hapinfo $phase $h $variable set $expgui(temp)"
2114	}
2115	} else {
2116	error "$cmd unimplemented"
2117	}
2118	}
2119	}
2120	catch {focus $oldFocus}
2121	if {$oldGrab != ""} {
2122	if {$grabStatus == "global"} {
2123	grab -global $oldGrab
2124	} else {
2125	grab $oldGrab
2126	}
2127	}
2128	}
2129
2130	proc EditProfile {title histlist phaselist} {
2131	global expgui expmap entrycmd
2132	set w .back
2133	catch {destroy $w}
2134	toplevel $w -bg beige
2135	wm title $w "Global Edit Profile"
2136	set hist [lindex $histlist 0]
2137	set phase [lindex $phaselist 0]
2138	set ptype [string trim [hapinfo $hist $phase proftype]]
2139	set htype [string range $expmap(htype_$hist) 2 2]
2140	set nterms [hapinfo $hist $phase profterms]
2141
2142	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2143	] -side top -expand yes -fill both
2144	grid [label $w.0.a \
2145	-text "Setting profile terms: $title" \
2146	-bg beige] -row 0 -column 0 -columnspan 10
2147	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2148
2149	# number of terms
2150	# set expgui(backtype) [histinfo $hist backtype]
2151	# set expgui(orig_backtype) $expgui(backtype)
2152	# set expgui(prev_backtype) $expgui(backtype)
2153	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2154	# grid $w.0.type -row 1 -column 1
2155
2156	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2157	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2158	set entrylist {}
2159	lappend entrylist "pcut $w.0.d"
2160
2161	set col -1
2162	set row 1
2163	set lbls $expgui(prof-$htype-$ptype)
2164	# for type 4, add extra terms depending on the cell type
2165	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2166	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2167	] -side top -expand yes -fill both
2168	for { set num 1 } { $num <= $nterms } { incr num } {
2169	set term {}
2170	catch {set term [lindex $lbls $num]}
2171	if {$term == ""} {set term $num}
2172	incr col
2173	grid [label $w.1.l${num} -text "$term" -bg beige] \
2174	-row $row -column $col
2175	incr col
2176	grid [entry $w.1.ent${num} \
2177	-width 14] -row $row -column $col
2178	lappend entrylist "pterm$num $w.1.ent${num}"
2179	if {$col > 6} {set col -1; incr row}
2180	}
2181	pack [frame $w.b] -side top
2182	pack [button $w.b.2 -text Set \
2183	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2184	[list $histlist] $w"] -side left
2185	pack [button $w.b.3 -text Quit \
2186	-command "QuitEditProfile $w [list $entrylist]"] -side left
2187	# force the window to stay on top
2188	wm transient $w [winfo toplevel [winfo parent $w]]
2189
2190	bind $w <Return> "destroy $w"
2191	wm withdraw $w
2192	update idletasks
2193	# center the new window in the middle of the parent
2194	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2195	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2196	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2197	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2198	wm geom $w +$x+$y
2199	wm deiconify $w
2200
2201	set oldFocus [focus]
2202	set oldGrab [grab current $w]
2203	if {$oldGrab != ""} {
2204	set grabStatus [grab status $oldGrab]
2205	}
2206	grab $w
2207	focus $w.b.2
2208	tkwait window $w
2209
2210	catch {focus $oldFocus}
2211	if {$oldGrab != ""} {
2212	if {$grabStatus == "global"} {
2213	grab -global $oldGrab
2214	} else {
2215	grab $oldGrab
2216	}
2217	}
2218	}
2219
2220	proc SetEditProfile {entrylist phaselist histlist w} {
2221	global expgui
2222	foreach item $entrylist {
2223	set value [ [lindex $item 1] get ]
2224	if {$value != ""} {
2225	hapinfo $histlist $phaselist [lindex $item 0] set $value
2226	incr expgui(changed)
2227	if $expgui(debug) {
2228	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2229	}
2230	}
2231	}
2232	destroy $w
2233	}
2234
2235	proc QuitEditProfile {w entrylist} {
2236	global expgui
2237	# lets find out if anything changed
2238	set changed 0
2239	foreach item $entrylist {
2240	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2241	}
2242	if $changed {
2243	set decision [tk_dialog .changes "Abandon Changes" \
2244	"You have made changes to the Profile. Ok to abandon changes?" \
2245	warning 0 Abandon Keep]
2246	if !$decision {destroy $w}
2247	} else {
2248	destroy $w
2249	}
2250	}
2251
2252	##############################################################################
2253	## #############################################
2254	## END OF THE PROCEDURES SECTION #############################################
2255	## #############################################
2256	##############################################################################
2257
2258	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2259	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2260	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2261	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2262	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2263	# A frame for menu items at top of display
2264	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2265	# Pack the menu frame.
2266	pack $expgui(fm) -fill x -side top -anchor n
2267
2268	# create a button bar
2269	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2270
2271	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2272	# & LS controls
2273	if $expgui(havetix) {
2274	pack [tixNoteBook .n] -expand yes -fill both
2275	.n add lsPane -label "LS Controls" -underline 0
2276	.n pageconfigure lsPane -raisecmd \
2277	"set expgui(pagenow) lsFrame; SetupExtractHist"
2278	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2279	.n add phasePane -label "Phase" -underline 0
2280	.n pageconfigure phasePane -raisecmd \
2281	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2282	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2283	.n add histPane -label "Histogram" -underline 0
2284	.n pageconfigure histPane -raisecmd \
2285	"set expgui(pagenow) histFrame; DisplayHistogram"
2286	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2287	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2288	.n add fracPane -label "Scaling" -underline 6
2289	.n pageconfigure fracPane -raisecmd \
2290	"set expgui(pagenow) fracFrame; DisplayFrac"
2291	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2292	.n add profPane -label Profile -underline 1
2293	.n pageconfigure profPane -raisecmd \
2294	"set expgui(pagenow) profFrame; DisplayProfile"
2295	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2296	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2297	# Finding the pathname to the subwidget frames.
2298	set expgui(phaseFrame) [.n subwidget phasePane]
2299	set expgui(histFrame) [.n subwidget histPane]
2300	set expgui(fracFrame) [.n subwidget fracPane]
2301	set expgui(profFrame) [.n subwidget profPane]
2302	set expgui(lsFrame) [.n subwidget lsPane]
2303	} else {
2304	pack [frame .frmbar] -side top -anchor w
2305	pack [frame .n] -anchor w -fill both -expand yes
2306	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2307	page {"LS Controls" Phase Histogram Scaling Profile } {
2308	pack [button .frmbar.$item -text $page -bd 2 \
2309	-command "RaisePage $item"] -side left
2310	set expgui($item) [frame .n.$item -relief flat]
2311	}
2312	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2313	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2314	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2315	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2316	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2317	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2318	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2319	}
2320
2321	# this is used in the non-tix notebook to bring up the selected frame
2322	proc RaisePage {nextpage} {
2323	global expgui
2324	set expgui(pagenow) $nextpage
2325	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2326	if {$item == $nextpage} {
2327	.frmbar.$item config -relief flat
2328	} else {
2329	.frmbar.$item config -relief raised
2330	}
2331	}
2332	# forget all other pages
2333	foreach child [pack slaves .n] {
2334	pack forget $child
2335	}
2336	pack .n.$nextpage -anchor w -fill both -expand yes
2337	foreach set $expgui(frameactionlist) {
2338	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2339	}
2340	}
2341	#----------------------------------------------------------------------------
2342	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2343	# Setup major frames here
2344	frame $expgui(phaseFrame).top
2345	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2346	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2347	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2348	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2349	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2350
2351	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2352	grid $frameLatt -sticky news -row 2 -column 0
2353	grid $fbig -sticky news -row 3 -column 0
2354	# give extra space to the atoms box
2355	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2356	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2357	grid $frame3 -sticky news -row 4 -column 0
2358	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2359	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2360	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2361	# this is where the buttons will go
2362	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2363
2364	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2365	-fg blue ] -column 1 -row 0 -sticky e
2366	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2367	-fg blue -width 45] -column 2 -row 0 -sticky e
2368	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2369	# ------------- Lattice Parameter Box ------------------
2370	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2371	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2372	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2373	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2374	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2375	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2376	set l1 [label $frameLatt.l1 -text "a"]
2377	set l2 [label $frameLatt.l2 -text "b"]
2378	set l3 [label $frameLatt.l3 -text "c"]
2379	set l4 [label $frameLatt.l4 -text "alpha"]
2380	set l5 [label $frameLatt.l5 -text "beta"]
2381	set l6 [label $frameLatt.l6 -text "gamma"]
2382	grid $e1 -column 1 -row 0 -padx 5
2383	grid $e2 -column 3 -row 0 -padx 5
2384	grid $e3 -column 5 -row 0 -padx 5
2385	grid $e4 -column 1 -row 1 -padx 5
2386	grid $e5 -column 3 -row 1 -padx 5
2387	grid $e6 -column 5 -row 1 -padx 5
2388	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2389	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2390	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2391	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2392	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2393	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2394
2395	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2396	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2397	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2398	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2399	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2400	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2401
2402	#-------------- Begin Atom Coordinates Box ---------------------------------
2403	grid [listbox $fbig.title -height 1 -relief flat] \
2404	-row 0 -column 0 -sticky ew
2405	set expgui(atomtitle) $fbig.title
2406	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2407	grid [listbox $fbig.lbox -height 10 \
2408	-xscrollcommand " $fbig.bscr set"\
2409	-yscrollcommand " $fbig.rscr set"\
2410	] -row 1 -column 0 -sticky news
2411	set expgui(atomlistbox) $fbig.lbox
2412	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2413	grid [scrollbar $fbig.bscr -orient horizontal \
2414	-command "move2boxes \" $fbig.title $fbig.lbox \" "
2415	] -row 2 -column 0 -sticky ew
2416	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2417	] -row 1 -column 1 -sticky ns
2418	# give extra space to the atoms box
2419	grid columnconfigure $fbig 0 -weight 1
2420	grid rowconfigure $fbig 1 -weight 1
2421
2422	proc move2boxes {boxlist args} {
2423	foreach listbox $boxlist {
2424	eval $listbox xview $args
2425	}
2426	}
2427	# BIND mouse in editbox
2428	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2429	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2430
2431	#-------------- End Atoms Section ---------------------------------
2432
2433	# --------------------------- Begin Edit Box -------------------------------
2434	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2435	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
2436
2437	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2438	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2439
2440	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2441	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2442	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2443	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2444	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2445	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2446
2447	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2448	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2449
2450	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2451	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2452	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2453	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2454	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2455	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2456	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2457	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2458	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2459
2460	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2461	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2462
2463	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2464	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2465
2466	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2467	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2468	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2469	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2470	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2471	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2472	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2473	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2474	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2475	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2476
2477	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2478	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2479	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2480	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2481	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2482	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2483	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2484	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2485
2486
2487	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2488	grid $f3f31 -column 0 -row 7 -columnspan 12
2489	set expgui(anisolabels) {}
2490	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2491	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2492	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2493	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2494	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2495	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2496
2497	set expgui(anisoentry) {}
2498	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2499	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2500	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2501	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2502	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2503	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2504
2505	set col 0
2506	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2507	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2508	incr col
2509	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2510	incr col
2511	}
2512	# --------------------------- End Edit Box --------------------------------
2513
2514	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2515	#-----------------------------------------------------------------------------
2516	#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
2517	grid [frame $expgui(histFrame).hs] \
2518	-column 0 -row 0 -rowspan 10 -sticky nsew
2519	grid columnconfigure $expgui(histFrame) 0 -weight 1
2520	grid rowconfigure $expgui(histFrame) 1 -weight 1
2521	grid rowconfigure $expgui(histFrame) 2 -weight 1
2522	grid rowconfigure $expgui(histFrame) 3 -weight 1
2523	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2524	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2525	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2526	-font $expgui(histfont) \
2527	-xscrollcommand "$expgui(histFrame).hs.x set" \
2528	-yscrollcommand "$expgui(histFrame).hs.y set" \
2529	] -row 1 -column 0 -sticky news
2530	lappend expgui(HistSelectList) $expgui(histFrame).hs
2531	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2532	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2533	] -row 2 -column 0 -sticky ew
2534	grid [scrollbar $expgui(histFrame).hs.y \
2535	-command "$expgui(histFrame).hs.lbox yview"] \
2536	-row 1 -column 1 -sticky ns
2537	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2538	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2539	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2540	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2541	DisplayHistogram
2542	}
2543	bind $expgui(histFrame).hs.lbox <Button-3> {
2544	if $expgui(globalmode) {
2545	$expgui(histFrame).hs.lbox selection set 0 end
2546	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2547	DisplayHistogram
2548	}
2549	}
2550
2551
2552	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2553	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2554	if $expgui(havetix) {
2555	foreach item {backBox diffBox} num {2 3} \
2556	title {Background "Diffractometer Constants"} {
2557	tixLabelFrame $expgui(histFrame).$item \
2558	-borderwidth 4 -width 600 -height 100 -label $title
2559	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2560	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2561	}
2562	} else {
2563	foreach item {backBox diffBox} num {1 2} \
2564	title {Background "Diffractometer Constants"} {
2565	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2566	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2567	set expgui($item) $expgui(histFrame).$item
2568	grid [label $expgui(histFrame).$item.title -text $title] \
2569	-row 0 -column 0 -columnspan 10 -sticky nw
2570	}
2571	}
2572
2573	# BACKGROUND information.
2574	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2575	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2576	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2577	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2578	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2579	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2580	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2581	-command editbackground] \
2582	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2583	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2584	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2585	-row 2 -column 1 -sticky news -padx 4 -pady 3
2586	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2587	-variable entryvar(bref) ] \
2588	-row 2 -column 2 -sticky news -padx 4 -pady 3
2589	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2590	-row 2 -column 3 -sticky w -padx 2 -pady 3
2591	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2592	grid $expgui(backBox).f1.om \
2593	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2594
2595	# DIFFRACTOMETER CONSTANTS SECTION
2596
2597	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2598	###############################################################################
2599	#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
2600
2601	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2602	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2603	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2604	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2605	-font $expgui(histfont) \
2606	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2607	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2608	] -row 1 -column 0 -sticky news
2609	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2610	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2611	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2612	] -row 2 -column 0 -sticky ew
2613	grid [scrollbar $expgui(fracFrame).hs.y \
2614	-command "$expgui(fracFrame).hs.lbox yview"] \
2615	-row 1 -column 1 -sticky ns
2616	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2617	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2618	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2619	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2620	DisplayFrac
2621	}
2622	bind $expgui(fracFrame).hs.lbox <Button-3> {
2623	if $expgui(globalmode) {
2624	$expgui(fracFrame).hs.lbox selection set 0 end
2625	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2626	DisplayFrac
2627	}
2628	}
2629	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2630	# Create a large canvas area containing a frame for each phase in the data set.
2631	# The canvas and vertical scrollbar are inside a frame called f1
2632	if $expgui(havetix) {
2633	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2634	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2635	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2636	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2637	} else {
2638	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2639	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2640	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2641	}
2642	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2643	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2644	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2645	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2646	button $expgui(scaleBox).but1 -text "Set Globally" \
2647	-command "editglobalparm histinfo scale {Scale Factor}"
2648
2649	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2650	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2651	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2652	-row 1 -column 3 -sticky news -padx 4 -pady 3
2653	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2654	-row 1 -column 4 -sticky w -padx 2 -pady 3
2655	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2656	grid $expgui(scaleBox).om \
2657	-row 1 -column 5 -sticky news -padx 4 -pady 3
2658	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2659
2660	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2661	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2662	-sticky news -row 1 -column 0
2663	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2664	-sticky ns -row 1 -column 1
2665
2666	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2667	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2668
2669	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2670	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2671	frame $expgui(FracBox).f -bd 0
2672	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2673
2674	# the rest of the page is created in DisplayFrac
2675	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2676	###############################################################################
2677	# 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
2678	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2679	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2680	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2681	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2682	-font $expgui(histfont) \
2683	-xscrollcommand "$expgui(profFrame).hs.x set" \
2684	-yscrollcommand "$expgui(profFrame).hs.y set" \
2685	] -row 1 -column 0 -sticky news
2686	lappend expgui(HistSelectList) $expgui(profFrame).hs
2687	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2688	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2689	] -row 2 -column 0 -sticky ew
2690	grid [scrollbar $expgui(profFrame).hs.y \
2691	-command "$expgui(profFrame).hs.lbox yview"] \
2692	-row 1 -column 1 -sticky ns
2693	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2694	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2695	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2696	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2697	DisplayProfile
2698	}
2699	bind $expgui(profFrame).hs.lbox <Button-3> {
2700	if $expgui(globalmode) {
2701	$expgui(profFrame).hs.lbox selection set 0 end
2702	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2703	DisplayProfile
2704	}
2705	}
2706
2707	# Create a large canvas area containing a frame for each phase in the data set.
2708	# The canvas and vertical scrollbar are inside a frame called f1
2709	pack [frame $expgui(profFrame).f1] -fill both -expand true
2710	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2711	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2712	-sticky news -row 0 -column 0
2713	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2714	-sticky ns -row 0 -column 1
2715
2716	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2717	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2718
2719	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2720	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2721	frame $expgui(ProfileBox).f -bd 0
2722	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2723
2724	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2725	##############################################################################
2726	# 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
2727	array set printopts {
2728	0 "Print the reciprocal metric tensor changes"
2729	1 "Print the correlation matrix"
2730	2 "Print the Least-Squares matrices and vectors"
2731	4 "Print the linear constraint matrices"
2732	5 "Print the applied shifts and shift factors"
2733	6 "Print the reciprocal metric tensor Var-Covar terms"
2734	7 "Print all parameters for each cycle"
2735	8 "Print summary shift/esd data after last cycle"
2736	9 "Print zero/unit pole figure constraint terms"
2737	}
2738	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2739	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2740	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2741	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2742	-font $expgui(histfont) \
2743	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2744	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2745	] -row 1 -column 0 -sticky news
2746	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2747	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2748	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2749	] -row 2 -column 0 -sticky ew
2750	grid [scrollbar $expgui(lsFrame).hs.y \
2751	-command "$expgui(lsFrame).hs.lbox yview"] \
2752	-row 1 -column 1 -sticky ns
2753	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2754	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2755	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2756	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2757	SetupExtractHist
2758	}
2759	bind $expgui(lsFrame).hs.lbox <Button-3> {
2760	if $expgui(globalmode) {
2761	$expgui(lsFrame).hs.lbox selection set 0 end
2762	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2763	SetupExtractHist
2764	}
2765	}
2766
2767	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2768	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2769	set row 0
2770	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2771	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2772	-textvariable expgui(last_History)] \
2773	-row $row -column 1 -columnspan 5 -sticky w
2774	incr row
2775	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2776	grid [entry $expgui(lsFrame).f1.tit2 \
2777	-textvariable entryvar(title) -width 48] \
2778	-row $row -column 1 -columnspan 5 -sticky w
2779	set entrycmd(title) "expinfo title"
2780
2781	incr row
2782	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2783	-row $row -column 0 -columnspan 2 -pady 3
2784	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2785	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2786	-textvariable entryvar(cycles)] -row 0 -column 1
2787	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2788	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2789	] -row $row -column 2
2790	menu $expgui(lsFrame).f1.lprint.menu
2791	foreach num [lsort [array names printopts]] {
2792	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2793	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2794	-variable entryvar(printopt$num)
2795	}
2796	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2797	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2798	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2799	incr row
2800	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2801	foreach num {1 2 3 4 5 6 7 8 9} {
2802	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2803	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2804	-command "HistExtractSet $num" \
2805	-variable expgui(Fextract$num) -value 0] \
2806	-row 2 -column $num
2807	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2808	-command "HistExtractSet $num" \
2809	-variable expgui(Fextract$num) -value 1] \
2810	-row 3 -column $num
2811	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2812	# -command "HistExtractSet $num" \
2813	# -variable expgui(Fextract$num) -value 2] \
2814	# -row 4 -column $num
2815	}
2816	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2817	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2818	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2819
2820	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2821	-column 0 -columnspan 11 -row 0
2822	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2823	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2824	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2825	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2826	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2827	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2828	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2829	#-------------------------------------------------------------------------
2830	#-------------------------------------------------------------------------
2831	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2832
2833	#---- file menu button
2834	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2835	menu $expgui(fm).file.menu
2836	if $expgui(debug) {
2837	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2838	-command "reset"
2839	}
2840	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2841	-command readnewexp
2842	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2843	-command savearchiveexp
2844	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2845	-command "SaveAsFile"
2846	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2847	-command {rereadexp $expgui(expfile)}
2848	#$expgui(fm).file.menu add command -label "Close" -underline 0
2849
2850	#---- help menu button
2851	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2852	menu $expgui(fm).help.menu
2853	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2854	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2855
2856	#---- options menu button
2857	menubutton $expgui(fm).option -text Options -underline 0 \
2858	-menu $expgui(fm).option.menu
2859	menu $expgui(fm).option.menu
2860
2861	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2862	-variable expgui(archive) -underline 0
2863
2864	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2865	-label "Sort atoms by"
2866
2867	set expgui(asorttype) number
2868	menu $expgui(fm).option.menu.asort
2869	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2870	-label number -value number -variable expgui(asorttype)
2871	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2872	-label type -value type -variable expgui(asorttype)
2873	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2874	-label x -value x -variable expgui(asorttype)
2875	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2876	-label y -value y -variable expgui(asorttype)
2877	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2878	-label z -value z -variable expgui(asorttype)
2879
2880
2881	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2882	-label "Sort histograms by"
2883
2884	set expgui(hsorttype) number
2885	menu $expgui(fm).option.menu.hsort
2886	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2887	-label number -value number -variable expgui(hsorttype)
2888	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2889	-label "Histogram type" -value type -variable expgui(hsorttype)
2890	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2891	-label "Bank #" -value bank -variable expgui(hsorttype)
2892	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2893	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2894
2895	#---- Global mode menu button
2896	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2897	-label "Multiple hist. selection"
2898	menu $expgui(fm).option.menu.editmode
2899	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2900	-variable expgui(globalmode) -underline 0 -value 0\
2901	-command sethistlist
2902	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2903	-variable expgui(globalmode) -underline 0 -value 6 \
2904	-command sethistlist
2905	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2906	-variable expgui(globalmode) -underline 0 -value 1 \
2907	-command sethistlist
2908	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2909	-variable expgui(globalmode) -underline 0 -value 2 \
2910	-command sethistlist
2911	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2912	-variable expgui(globalmode) -underline 0 -value 3 \
2913	-command sethistlist
2914	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2915	-variable expgui(globalmode) -underline 0 -value 4 \
2916	-command sethistlist
2917	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2918	-variable expgui(globalmode) -underline 0 -value 5 \
2919	-command sethistlist
2920	set expgui(globalmode) 0
2921
2922	if {$tcl_platform(platform) != "windows"} {
2923	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2924	-variable env(GSASBACKSPACE)
2925	}
2926	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2927	-command "SaveOptions"
2928
2929	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2930
2931	foreach menu $expgui(menunames) {
2932	set m [string tolower $menu]
2933	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2934	-menu $expgui(fm).$m.menu] -side left
2935	menu $expgui(fm).$m.menu
2936	}
2937	pack $expgui(fm).help -side right -in $expgui(fm)
2938
2939	# add the commands in expgui_menulist
2940	foreach menu [array names expgui_menulist ] {
2941	foreach cmd $expgui_menulist($menu) {
2942	set action {}
2943	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2944	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2945	if {$action != "" && $action != "-"} {
2946	eval $expgui(fm).$menu.menu add command \
2947	-label $cmd -command [list [subst $action]]
2948	}
2949	}
2950	}
2951	# setup command help
2952	foreach cmd [array names expgui_cmdlist] {
2953	set help {}
2954	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2955	if {$help == ""} {
2956	if {$expgui(debug)} {puts "no help for $cmd"}
2957	} else {
2958	# remove
2959	regsub -all \x09 $help " " help
2960	# preserve blank lines
2961	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2962	regsub -all \x0A $help " " help
2963	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2964	regsub -all " +" $help " " help
2965	set expgui_helplist($cmd) [string trim $help]
2966	}
2967	}
2968	# set up button bar
2969	foreach cmd $expgui(buttonlist) {
2970	set action {}
2971	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2972	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2973	if {$action != ""} {
2974	pack [eval button .bar.$cmd -bg beige \
2975	-text $cmd -command [list [subst $action]]] -side left
2976	}
2977	}
2978
2979	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2980	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2981
2982
2983	# handle indirect exits
2984	wm protocol . WM_DELETE_WINDOW catchQuit
2985	bind . <Control-c> catchQuit
2986
2987	set expgui(curPhase) ""
2988	set expgui(pagenow) ""
2989	set expgui(curhist) {}
2990
2991	loadexp $expgui(expfile)
2992
2993	# select the 1st phase
2994	SelectOnePhase [lindex $expmap(phaselist) 0]
2995	# select the first histogram in the list by default (if there are any)
2996	if {[llength $expmap(histlistboxcontents)] > 0} {set expgui(curhist) 0}
2997
2998	if !$expgui(havetix) {
2999	RaisePage lsFrame
3000	} else {
3001	.n raise lsPane
3002	set expgui(pagenow) lsFrame
3003	}

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