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source: trunk/expgui @ 123

Last change on this file since 123 was 123, checked in by toby, 14 years ago
# on 1999/11/19 00:03:25, toby did: fixup Archive code for Windows (as per Pamela Whitfield) make autoload option UNIX only (until we can run GSAS pgms synchronously)
Property rcs:author set to `toby` Property rcs:date set to `1999/11/19 00:03:25` Property rcs:lines set to `+15 -27` Property rcs:rev set to `1.22` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 109.0 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 123 2009-12-04 23:00:47Z toby $
3	set expgui(Revision) {$Revision: 123 $ $Date: 2009-12-04 23:00:47 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28
29	if {$tcl_version < 8.0} {
30	tk_dialog .expFileErrorMsg "Version Error" \
31	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
32	exit
33	}
34
35	if {$argv != ""} {
36	set expgui(expfile) $argv
37	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
38	append expgui(expfile) ".EXP"
39	}
40	if {[file dirname $expgui(expfile)] == "."} {
41	set expgui(expfile) [string toupper $expgui(expfile)]
42	} else {
43	set expgui(expfile) [file join \
44	[file dirname $expgui(expfile)] \
45	[file tail [string toupper $expgui(expfile)]]
46	]
47	}
48	} else {
49	set expgui(expfile) {}
50	}
51
52	set expgui(debug) 0
53	catch {if $env(DEBUG) {set expgui(debug) 1}}
54	#set expgui(debug) 1
55
56	set expgui(havetix) 1
57	# for debugging non-Tix version set environment variable NOTIX
58	catch {if $env(NOTIX) {set expgui(havetix) 0}}
59	if $expgui(havetix) {
60	if [catch {package require Tix}] {set expgui(havetix) 0}
61	}
62	# default for archive mode = on
63	set expgui(archive) 1
64	# default for autoexec load = off
65	set expgui(autoexpload) 0
66	# save the name of the wish executable
67	set wishshell [info nameofexecutable]
68	# misc constants
69	set expgui(coordfont) "--courier-bold-r-normal--12-"
70	set expgui(histfont) "--courier-bold-r-normal--12-"
71	set liveplot(hst) 1
72	set liveplot(legend) 1
73	set expgui(filesort) 1
74	set expgui(initstring) {}
75	#=============================================================================
76	# Store names of profile terms.
77	array set expgui {
78	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
79	sig-2 rsca s1ec s2ec }
80	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
81	gam-2 switch ptec stec difc difa zero }
82	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
83	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
84	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
85	rstr rsta rsca eta}
86	prof-C-1 {CW-type U V W asym F1 F2 }
87	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
88	L11 L22 L33 L12 L13 L23 }
89	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
90	L11 L22 L33 L12 L13 L23 }
91	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
92	}
93	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
94	#----------------------------------------------------------------
95	# where are we?
96	set expgui(script) [info script]
97	# translate links -- go six levels deep
98	foreach i {1 2 3 4 5 6} {
99	if {[file type $expgui(script)] == "link"} {
100	set link [file readlink $expgui(script)]
101	if { [file pathtype $link] == "absolute" } {
102	set expgui(script) $link
103	} {
104	set expgui(script) [file dirname $expgui(script)]/$link
105	}
106	} else {
107	break
108	}
109	}
110	# fixup relative paths
111	if {[file pathtype $expgui(script)] == "relative"} {
112	set expgui(script) [file join [pwd] $expgui(script)]
113	}
114	set expgui(scriptdir) [file dirname $expgui(script) ]
115	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
116	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
117	#----------------------------------------------------------------
118	# fetch EXP file processing routines
119	source [file join $expgui(scriptdir) readexp.tcl]
120	# commands for running GSAS programs
121	source [file join $expgui(scriptdir) gsascmds.tcl]
122	# contents of GSAS menus
123	source [file join $expgui(scriptdir) gsasmenu.tcl]
124	# commands for adding phases, histograms & atoms
125	source [file join $expgui(scriptdir) addcmds.tcl]
126	# get the notebook widget if not using Tix
127	if {!$expgui(havetix)} {source $expgui(scriptdir)/notebook.tcl}
128	#---------------------------------------------------------------------------
129	# override options with locally defined values
130	if [file exists [file join $expgui(scriptdir) localconfig]] {
131	source [file join $expgui(scriptdir) localconfig]
132	}
133	if [file exists [file join ~ .gsas_config]] {
134	source [file join ~ .gsas_config]
135	}
136	if {$tcl_platform(platform) == "windows"} {
137	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
138	} else {
139	set expgui(exptool) [file join $expgui(gsasexe) exptool]
140	}
141	#---------------------------------------------------------------------------
142	if {$expgui(expfile) != ""} {
143	if ![file exists $expgui(expfile)] {
144	update
145	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
146	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
147	error 0 "Create" "Open other"]
148	if $ans {set expgui(expfile) {}}
149	}
150	}
151	if {$expgui(expfile) == ""} {
152	# center the parent window because the getExpFileName window
153	# will be centered above it.
154	wm withdraw .
155	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
156	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
157	wm geom . +$x+$y
158	wm deiconify .
159	# windows needed this update before when using tk_getOpenFile.
160	# I am not sure it is still needed.
161	update
162	#
163	set expgui(expfile) [getExpFileName old]
164	}
165	if {$expgui(expfile) == ""} exit
166	# you've been warned this .EXP does not exist!
167	if ![file exists $expgui(expfile)] {
168	# create an "empty" exp file
169	createexp $expgui(expfile) \
170	[getstring "title for experiment $expgui(expfile)" 60 0]
171	}
172	catch {cd [string trim [file dirname $expgui(expfile)]]}
173
174	#
175	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
176	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
177	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
178	# load exp file and set up dialogs
179	proc loadexp {expfile} {
180	global expgui expmap entryvar entrycmd
181	global exparray
182	catch {
183	unset exparray
184	}
185	set exploadtime [time {expload $expfile}]
186	if $expgui(debug) {puts "expload $exploadtime"}
187	set expgui(changed) 0
188	mapexp
189	set expgui(expModifiedLast) [file mtime $expfile]
190	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
191	# set the window/icon title
192	wm title . $expfile
193	set expgui(titleunchanged) 1
194	wm iconname . [file tail $expfile]
195
196	# set the number of phases on the phase page
197	setphases
198
199	# disable the "global options" that don't make sense based
200	# on the histograms present
201	foreach num {1 2 3 4 5} {
202	set flag($num) 0
203	}
204	foreach h $expmap(powderlist) {
205	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
206	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
207	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
208	[histinfo $h lam2] != 0.0} {set flag(3) 1}
209	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
210	[histinfo $h lam2] == 0.0} {set flag(4) 1}
211	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
212	}
213	foreach num {1 2 3 4 5} \
214	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
215	"Energy Disp Xray"} {
216	if $flag($num) {
217	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
218	} else {
219	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
220	}
221	}
222	# disable traces on entryvar until we are ready
223	set entrycmd(trace) 0
224	trace vdelete entryvar w entvartrace
225
226	# propogate changes on the least squares page
227	set entryvar(cycles) [expinfo cycles]
228	set entrycmd(cycles) "expinfo cycles"
229	# set expgui(globalmode) 0
230	set expgui(printopt) "Print Options ([expinfo print])"
231	set entryvar(title) [expinfo title]
232	global printopts
233	foreach num [array names printopts] {
234	set entrycmd(printopt$num) "printsetting $num"
235	set entryvar(printopt$num) [printsetting $num]
236	}
237	# enable traces on entryvar
238	set entrycmd(trace) 1
239	trace variable entryvar w entvartrace
240
241	# set fo extaction on LS page
242	SetupExtractHist
243
244	# update the histogram list & the page, if shown
245	sethistlist
246
247	# update the atoms display
248	# DisplayAllAtoms noreset
249	SelectOnePhase $expgui(curPhase)
250
251	# start checking for external changes
252	afterawhile
253	}
254
255	# called to reread the .EXP file
256	proc rereadexp {expfile} {
257	global expgui
258	if $expgui(changed) {
259	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
260	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
261	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
262	switch $decision {
263	0 { savearchiveexp }
264	1 { }
265	2 { return }
266	}
267	}
268	loadexp $expgui(expfile)
269	}
270
271	proc SaveAsFile {} {
272	global expgui
273	set newexpfile [getExpFileName new]
274	if {$newexpfile == ""} return
275	expwrite $newexpfile
276	set expgui(expfile) $newexpfile
277	catch {cd [string trim [file dirname $expgui(expfile)]]}
278	set expgui(changed) 0
279	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
280	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
281	# set the window/icon title
282	wm title . $expgui(expfile)
283	set expgui(titleunchanged) 1
284	wm iconname . [file tail $expgui(expfile)]
285	}
286
287	# called to read a different .EXP file
288	proc readnewexp {} {
289	global expgui expmap
290	if $expgui(changed) {
291	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
292	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
293	{} 0 "Save and read" "Read without Save" "Cancel read command"]
294	switch $decision {
295	0 { savearchiveexp }
296	1 { }
297	2 { return }
298	}
299	}
300	set newexpfile [getExpFileName old]
301	if {$newexpfile == ""} return
302
303	if ![file exists $newexpfile] {
304	# you've been warned this .EXP does not exist!
305	# create an "empty" exp file
306	createexp $newexpfile \
307	[getstring "title for experiment $newexpfile" 60 0]
308	}
309	set expgui(expfile) $newexpfile
310	catch {cd [string trim [file dirname $expgui(expfile)]]}
311	set expgui(globalmode) 0
312	loadexp $expgui(expfile)
313
314	# select the 1st phase
315	SelectOnePhase [lindex $expmap(phaselist) 0]
316	# select the first histogram in the list by default (if there are any)
317	if {[llength $expmap(histlistboxcontents)] > 0} {
318	set expgui(curhist) 0
319	} else {
320	set expgui(curhist) {}
321	}
322	RaisePage lsFrame
323	if {[CountHistory] > 100} {
324	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
325	}
326	}
327
328	#------------- set up data read/write layer ----------------------
329	# trace routine on entryvar
330	proc entvartrace {array elem action} {
331	global expgui entrycmd entryvar
332	if !$entrycmd(trace) return
333
334	catch {
335	if {$entrycmd($elem) == ""} return
336	incr expgui(changed)
337	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
338	if {$entrycmd($elem) == ""} return
339	if [catch {
340	eval $entrycmd($elem) set [list $entryvar($elem)]
341	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
342	after idle {DisplayAllAtoms noreset}
343	}
344	} errmsg] {puts "entvartrace error: $errmsg"}
345	}
346	}
347
348	# disable traces on entryvar until we are ready
349	set entrycmd(trace) 0
350	trace variable entryvar w entvartrace
351
352	#
353	#
354	#
355	##############################################################################
356	##### #####################################################
357	##### PROCEDURES SECTION #####################################################
358	##### #####################################################
359	##############################################################################
360	# reset routine is used for debugging
361	proc reset {} {
362	global expgui script argv
363	set script $expgui(script)
364	set argv $expgui(expfile)
365	# remove traces
366	global entryvar
367	foreach cmd [trace vinfo entryvar] {
368	eval trace vdelete entryvar $cmd
369	}
370	global expgui
371	foreach cmd [trace vinfo expgui(backterms)] {
372	eval trace vdelete entryvar $cmd
373	}
374	foreach cmd [trace vinfo expgui(backtype)] {
375	eval trace vdelete entryvar $cmd
376	}
377	foreach a {
378	exparray expmap expgui entryvar entrycmd
379	expgui_menulist expgui_cmdlist expgui_helplist
380	} {
381	global $a
382	catch {unset $a}
383	}
384	foreach w [winfo children .] {
385	destroy $w
386	}
387
388	uplevel #0 {source $script}
389	}
390
391	# save some of the global options in ~/.gsas_config
392	proc SaveOptions {} {
393	global expgui env tcl_platform
394	set fp [open [file join ~ .gsas_config] a]
395	puts $fp "set expgui(archive) $expgui(archive)"
396	puts $fp "set expgui(asorttype) $expgui(asorttype)"
397	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
398	puts $fp "set expgui(filesort) $expgui(filesort)"
399	if {$tcl_platform(platform) != "windows"} {
400	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
401	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
402	}
403	close $fp
404	}
405
406	proc About { } {
407	global expgui expmap
408	tk_dialog .about {About...} \
409	"EXPGUI\n\
410	Jonathan Wasserman and Brian Toby\n\
411	NIST Center for Neutron Research\n\n\
412	1998, Not subject to copyright\n\n\
413	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
414	Generalized Structure Analysis System (GSAS)\n\
415	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
416	" \
417	info 0 OK
418	}
419
420	# wait until idle
421	proc afterawhile {} {
422	# cancel any other instances of this loop
423	after cancel afterawhile
424	after cancel whenidle
425	after cancel whenidle
426	after idle whenidle
427	}
428
429	proc whenidle {} {
430	global expgui
431	if $expgui(titleunchanged) {
432	if {$expgui(changed) != 0} {
433	wm title . "$expgui(expfile) (modified)"
434	set expgui(titleunchanged) 0
435	}
436	}
437	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast) && \
438	$expgui(expModifiedLast) != 0} {
439	if {$expgui(changed) == 0} {
440	set ans [tk_dialog .expFileErrorMsg "Reload?" \
441	"File [file tail $expgui(expfile)] has been modified by another program. \
442	Do you want to load the newer version or lose the modifications \
443	by editing the current version?" \
444	warning 0 "Load new" "Continue editing"]
445	} else {
446	set ans [tk_dialog .expFileErrorMsg "Reload?" \
447	"File [file tail $expgui(expfile)] has been modified by another program \
448	and you have made $expgui(changed) changes to this version. \
449	Do you want to load the newer version or lose the modifications \
450	by continuing to edit the current version?" \
451	warning 0 "Load new" "Continue editing" "Save edited version"]
452	}
453	if {$ans == 0} {
454	loadexp $expgui(expfile)
455	} elseif {$ans == 1} {
456	# reset the time to the next version
457	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
458	} elseif {$ans == 2} {
459	savearchiveexp
460	}
461	}
462	after 2000 afterawhile
463	}
464	# -------- called to confirm before exiting
465	proc catchQuit {} {
466	if {[confirmBeforeSave] == "Continue"} {
467	destroy .
468	}
469	}
470	# save the .EXP file before exiting?
471	proc confirmBeforeSave {} {
472	global expgui
473	if !$expgui(changed) {
474	return "Continue"
475	}
476	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
477	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
478	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
479	switch $decision {
480	0 { savearchiveexp; return "Continue" }
481	1 { return "Continue" }
482	2 { return "Cancel" }
483	}
484	}
485
486	proc archiveexp {} {
487	global expgui tcl_platform
488	catch {
489	set expnam [file rootname $expgui(expfile)]
490	if {$tcl_platform(platform) == "windows"} {
491	set version -1
492	catch {source $expnam.version}
493	incr version
494	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
495	# archive w/o pkzip
496	set file $expnam![format "%3.3d" $version].EXP
497	file copy -force $expnam.EXP $file
498	set fp [open $expnam.lst a]
499	puts $fp "\n--------------------------------------------------------------"
500	puts $fp "Archiving $expnam.EXP as $file"
501	puts $fp "--------------------------------------------------------------\n"
502	close $fp
503	} else {
504	# archive with PKZIP
505	# need to limit expnam to 8 characters
506	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
507	# PKZIP can't handle long dir names either
508	cd [set dir [file dirname $expnam]]
509	set file $sexp.[format "%3.3d" $version]
510	file copy -force $expnam.EXP $file
511	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
512	set fp [open $expnam.lst a]
513	puts $fp "\n--------------------------------------------------------------"
514	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
515	puts $fp "--------------------------------------------------------------\n"
516	close $fp
517	}
518	set fp [open $expnam.version w]
519	puts $fp "set version $version"
520	close $fp
521	} else {
522	set files [glob -nocomplain $expnam.EXP.*]
523	if {$files == ""} {
524	set file $expnam.EXP.000
525	} else {
526	set file [lindex [lsort -decreasing $files] 0]
527	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
528	incr number
529	set file $expnam.EXP.[format "%3.3d" $number]
530	}
531	exec cp $expgui(expfile) $file
532	if [catch {exec gzip $file}] {
533	exec echo "\n----------------------------------------------" >> $expnam.LST
534	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
535	exec echo "----------------------------------------------\n" >> $expnam.LST
536	} else {
537	exec echo "\n----------------------------------------------" >> $expnam.LST
538	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
539	exec echo "----------------------------------------------\n" >> $expnam.LST
540	}
541	}
542	} errmsg
543	if {$errmsg != ""} {
544	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
545	}
546	}
547
548	# save and optionally archive the expfile
549	proc savearchiveexp {} {
550	global expgui expmap
551	if !$expgui(changed) return
552	if $expgui(archive) archiveexp
553	# add a history record
554	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
555	# now save the file
556	expwrite $expgui(expfile)
557	set expgui(changed) 0
558	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
559	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
560	wm title . $expgui(expfile)
561	set expgui(titleunchanged) 1
562	}
563
564	# set the number of phases on the phase page
565	proc setphases {} {
566	global expgui expmap
567	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
568	foreach num $expmap(phaselist) {
569	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
570	-command "SelectOnePhase $num"] -side left
571	}
572	}
573
574	# Procedure to respond to changes the phase.
575	# This loads the "phases" widgets with data corresponding to the selected phase.
576	proc SelectOnePhase {num} {
577	global entryvar entrycmd expmap expgui
578	foreach n $expmap(phaselist) {
579	if {$n == $num} {
580	$expgui(phaseFrame).top.ps.$num config -relief sunken
581	} else {
582	$expgui(phaseFrame).top.ps.$n config -relief raised
583	}
584	}
585	set crsPhase $num
586	# no phase is selected
587	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
588	# disable traces on entryvar
589	set entrycmd(trace) 0
590	set entrycmd(phasename) ""
591	set entryvar(phasename) ""
592	foreach ent {a b c alpha beta gamma cellref celldamp} {
593	set entrycmd($ent) ""
594	set entryvar($ent) ""
595	}
596	set expgui(curPhase) {}
597	# enable traces on entryvar
598	set entrycmd(trace) 1
599	$expgui(EditingAtoms) config -text ""
600	DisplayAtom 0 0
601	DisplayU 0 0
602	DisplayRefFlags 0 0
603	$expgui(atomlistbox) delete 0 end
604	return
605	}
606
607	set expgui(curPhase) $crsPhase
608	# we have a phase
609
610	# disable traces on entryvar for right now
611	set entrycmd(trace) 0
612
613	##########################################################
614	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
615	##########################################################
616	# phase title
617	set entrycmd(phasename) "phaseinfo $crsPhase name"
618	set entryvar(phasename) [phaseinfo $crsPhase name]
619	# cell parameters & flags
620	foreach ent {a b c alpha beta gamma cellref celldamp} {
621	set entrycmd($ent) "phaseinfo $crsPhase $ent"
622	set entryvar($ent) [phaseinfo $crsPhase $ent]
623	}
624
625	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
626	# initialize to diasbled
627	DisplayAtom 0 0
628	DisplayU 0 0
629	DisplayRefFlags 0 0
630	$expgui(EditingAtoms) config -text ""
631
632	DisplayAllAtoms
633
634	# enable traces on entryvar now
635	set entrycmd(trace) 1
636	}
637
638	set expgui(noreenterDisplayAllAtoms) 0
639	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
640	proc DisplayAllAtoms {"mode reset"} {
641	global entryvar entrycmd expmap expgui
642	# if it does not show, dont bother
643	if {$expgui(pagenow) != "phaseFrame"} return
644	if {$expgui(curPhase) == ""} return
645	if $expgui(noreenterDisplayAllAtoms) return
646
647	set expgui(noreenterDisplayAllAtoms) 1
648	if {$mode != "reset"} {
649	# save the scrolled position
650	set pos [lindex [$expgui(atomlistbox) yview] 0]
651	} else {
652	# this is a reset -- clear the selected atoms list
653	set expgui(selectedatomlist) {}
654	}
655	$expgui(atomlistbox) delete 0 end
656	# loop over atoms
657	set maxline I
658	set phase $expgui(curPhase)
659	set atomlist {}
660	if {$expgui(asorttype) == "type"} {
661	# sort on atom type
662	foreach atom $expmap(atomlist_$phase) {
663	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
664	}
665	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
666	} elseif {$expgui(asorttype) == "number"} {
667	# sort on atom number
668	foreach atom $expmap(atomlist_$phase) {
669	lappend atomlist "$atom $atom $phase"
670	}
671	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
672	} elseif {$expgui(asorttype) == "x"} {
673	# sort on x
674	foreach atom $expmap(atomlist_$phase) {
675	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
676	}
677	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
678	} elseif {$expgui(asorttype) == "y"} {
679	# sort on y
680	foreach atom $expmap(atomlist_$phase) {
681	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
682	}
683	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
684	} elseif {$expgui(asorttype) == "z"} {
685	# sort on z
686	foreach atom $expmap(atomlist_$phase) {
687	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
688	}
689	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
690	} else {
691	error "Bad expgui(asorttype = $expgui(asorttype)"
692	}
693
694	foreach tuple $expmap(atomlistboxcontents) {
695	set atom [lindex $tuple 0]
696	set phase [lindex $tuple 2]
697	set refflag {}
698	foreach type {x u f} {
699	if {[atominfo $phase $atom ${type}ref]} {
700	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
701	} else {
702	append refflag " [atominfo $phase $atom ${type}damp] "
703	}
704	}
705	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
706	$atom \
707	[atominfo $phase $atom label] \
708	[atominfo $phase $atom type] \
709	$refflag \
710	[atominfo $phase $atom x] \
711	[atominfo $phase $atom y] \
712	[atominfo $phase $atom z] \
713	[atominfo $phase $atom frac]
714	]
715	# add temperature factors (iso/anoiso)
716	if {[atominfo $phase $atom temptype] == "A"} {
717	set maxline A
718	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
719	[atominfo $phase $atom U11] \
720	[atominfo $phase $atom U22] \
721	[atominfo $phase $atom U33] \
722	[atominfo $phase $atom U12] \
723	[atominfo $phase $atom U23] \
724	[atominfo $phase $atom U13]
725	]
726	} else {
727	append line [format " %9.5f" \
728	[atominfo $phase $atom Uiso]
729	]
730	}
731	$expgui(atomlistbox) insert end $line
732	}
733	$expgui(atomtitle) delete 0 end
734	if {$maxline == "A"} {
735	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
736	" name " "type " "ref/damp " "fractional coordinates " \
737	" Occupancy" \
738	"Uiso/Uij "]
739	} else {
740	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
741	" name " "type " "ref/damp " "fractional coordinates " \
742	" Occupancy" \
743	"Uiso"]
744	}
745	if {$mode != "reset"} {
746	# restore the selected items
747	foreach i $expgui(selectedatomlist) {
748	$expgui(atomlistbox) selection set $i
749	}
750	# restore the last scrolled position
751	$expgui(atomlistbox) yview moveto $pos
752	}
753	set expgui(noreenterDisplayAllAtoms) 0
754	}
755
756	# Procedure to select all atoms in response to a right-click
757	proc SelectAllAtoms {} {
758	global expgui
759	$expgui(atomlistbox) selection set 0 end
760	# call editRecord in case trace was called before the selection was made
761	editRecord
762	}
763
764	# Procedure to respond to left mouse release in the atoms Pane
765	proc editRecord { args } {
766	global entrycmd expgui
767	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
768	# disable traces on entryvar for right now
769	set entrycmd(trace) 0
770
771	if {[llength $expgui(selectedatomlist)] == 0} {
772	puts "How did this happen: [$expgui(atomlistbox) curselection]"
773	} elseif {[llength $expgui(selectedatomlist)] == 1} {
774	editOneRecord $expgui(selectedatomlist)
775	} else {
776	editMultipleRecords $expgui(selectedatomlist)
777	}
778	# reenable traces on entryvar
779	set entrycmd(trace) 1
780	# repaint the atoms box in case anything was changed
781	# DisplayAllAtoms noreset
782	}
783
784	proc editOneRecord { AtomIndex } {
785	global expmap expgui
786	# get atom number & phase
787	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
788	set atomnum [lindex $tuple 0]
789	set p [lindex $tuple 2]
790	DisplayU $atomnum $p
791	DisplayAtom $atomnum $p
792	DisplayRefFlags $atomnum $p
793	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
794	}
795
796	# this will not work for a multi-phase list of atoms (yet)
797	proc editMultipleRecords { AtomIndexList } {
798	global expmap expgui
799	set numberList {}
800	# current phase
801	set p $expgui(curPhase)
802	foreach AtomIndex $AtomIndexList {
803	# get atom number & phase
804	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
805	lappend numberList [lindex $tuple 0]
806	# set p [lindex $tuple 2]
807	}
808	# this needs to track by phase
809	$expgui(EditingAtoms) config -text \
810	"Set refinement options: atoms [CompressList $numberList]"
811	DisplayU 0 0
812	DisplayAtom 0 0
813	# this needs to track by phase
814	DisplayRefFlags $numberList $p
815	}
816
817	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
818	# becomes "1-4,6,7,13-15,19"
819	proc CompressList {numberList} {
820	# format the number list to save space
821	set lastnum -99
822	set flist {}
823	set count 0
824	foreach num [lsort -integer $numberList] {
825	set next [expr $lastnum+1]
826	if {$num != $next} {
827	if {$count == 0 && $flist != ""} {
828	append flist ",$num"
829	} elseif {$count == 1 && $flist != ""} {
830	append flist ",$lastnum,$num"
831	} elseif {$flist != ""} {
832	append flist "-$lastnum,$num"
833	} else {
834	append flist "$num"
835	}
836	set lastnum $num
837	set count 0
838	} else {
839	incr count
840	incr lastnum
841	}
842	}
843	if {$count == 1 && $flist != ""} {
844	append flist ",$lastnum"
845	} elseif {$flist != "" && $count > 1} {
846	append flist "-$lastnum"
847	}
848	return $flist
849	}
850
851	# Procedure to display Isotropic or Anisotropic temperature factors
852	# Changes the display to one entry widget for Isotropic motion OR
853	# 6 entry widgets for Anisotropic motion in Frame3.
854	# or disables the widet entirly if atom = 0
855	proc DisplayU { atomnum p} {
856	global expgui entryvar entrycmd
857	if {$atomnum == 0} {
858	set iOrA disable
859	} else {
860	set iOrA [atominfo $p $atomnum temptype]
861	}
862
863	set firstbox [lindex $expgui(anisolabels) 0]
864	if { $iOrA == "A" } {
865	$firstbox config -text "U11 "
866	foreach item $expgui(anisolabels) {
867	$item config -fg black
868	}
869	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
870	set entrycmd($var) "atominfo $p $atomnum $var"
871	set entryvar($var) [eval $entrycmd($var)]
872	$item config -fg black -state normal -bg white
873	}
874	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
875	foreach item $expgui(anisolabels) {
876	# $item config -fg grey
877	$item config -fg beige
878	}
879	foreach item [lrange $expgui(anisoentry) 1 end] \
880	var {U22 U33 U12 U13 U23} {
881	set entrycmd($var) ""
882	set entryvar($var) ""
883	$item config -fg beige -bg beige -state disabled
884	}
885	if { $iOrA == "disable"} {
886	set entrycmd($var) ""
887	set entryvar($var) ""
888	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
889	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
890	} else {
891	set entrycmd(U11) "atominfo $p $atomnum Uiso"
892	set entryvar(U11) [eval $entrycmd(U11)]
893	$firstbox config -text Uiso -fg black
894	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
895	}
896	}
897	}
898
899	# need to think about multiple phases
900
901	# Procedure to display refinement flags
902	proc DisplayRefFlags { atomnum p} {
903	global expgui entryvar entrycmd
904	if {$atomnum == 0} {
905	foreach label $expgui(atomreflbl) {
906	$label config -fg beige
907	}
908	foreach entry $expgui(atomref) {
909	$entry config -state disabled -fg beige -bg beige
910	}
911	return
912	}
913	foreach label $expgui(atomreflbl) {
914	$label config -fg black
915	}
916	foreach entry $expgui(atomref) {
917	$entry config -state normal -fg black -bg beige
918	}
919	foreach var {xref uref fref xdamp udamp fdamp} {
920	set entrycmd($var) "atominfo $p [list $atomnum] $var"
921	set entryvar($var) [eval $entrycmd($var)]
922	}
923	}
924
925	# Procedure to display an atom in the atom edit boxes
926	proc DisplayAtom { atomnum p} {
927	global expgui entryvar entrycmd
928	if {$atomnum == 0} {
929	foreach label $expgui(atomlabels) {
930	$label config -fg beige
931	}
932	foreach entry $expgui(atomentry) {
933	$entry config -state disabled -fg beige -bg beige
934	}
935	return
936	}
937	foreach label $expgui(atomlabels) {
938	$label config -fg black
939	}
940	foreach entry $expgui(atomentry) {
941	$entry config -state normal -fg black -bg white
942	}
943	foreach var {x y z label frac } {
944	set entrycmd($var) "atominfo $p $atomnum $var"
945	set entryvar($var) [eval $entrycmd($var)]
946	}
947	}
948
949	# update the histogram list
950	# to do: show histogram ref flags?
951	proc sethistlist {} {
952	global expgui expmap
953	foreach lbox $expgui(HistSelectList) {
954	$lbox.title delete 0 end
955	$lbox.lbox delete 0 end
956	if {$expgui(globalmode) != 0} {
957	$lbox.lbox config -selectmode extended
958	} else {
959	$lbox.lbox config -selectmode browse
960	}
961	}
962	# disable the unallowed pages in all mode
963	if {$expgui(globalmode) == 6} {
964	foreach pair $expgui(GlobalModeAllDisable) {
965	if {$expgui(pagenow) == [lindex $pair 0]} {
966	RaisePage lsFrame
967	}
968	eval [lindex $pair 1] -state disabled
969	}
970	} else {
971	foreach pair $expgui(GlobalModeAllDisable) {
972	eval [lindex $pair 1] -state normal
973	}
974	}
975	set histlist {}
976	if {$expgui(hsorttype) == "type"} {
977	# sort on histogram type
978	foreach h [lsort -integer -increasing $expmap(powderlist)] {
979	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
980	}
981	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
982	} elseif {$expgui(hsorttype) == "number"} {
983	# sort on histogram number
984	foreach h [lsort -integer -increasing $expmap(powderlist)] {
985	lappend histlist "$h $h"
986	}
987	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
988	} elseif {$expgui(hsorttype) == "bank"} {
989	# sort on original bank number
990	foreach h [lsort -integer -increasing $expmap(powderlist)] {
991	lappend histlist "$h [histinfo $h bank]"
992	}
993	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
994	} elseif {$expgui(hsorttype) == "angle"} {
995	# sort on wavelength (CW) or angle (E disp.)
996	foreach h [lsort -integer -increasing $expmap(powderlist)] {
997	if {[string range $expmap(htype_$h) 2 2] == "T"} {
998	set det [format %8.2f [histinfo $h tofangle]]
999	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1000	set det [format %8.5f [histinfo $h lam1]]
1001	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1002	set det [format %8.2f [histinfo $h lam1]]
1003	} else {
1004	set det {}
1005	}
1006	lappend histlist "$h $det"
1007	}
1008	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1009	}
1010
1011	# title field needs to match longest title
1012	foreach lbox $expgui(HistSelectList) {
1013	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1014	"h#" \
1015	type \
1016	bank \
1017	"ang/wave" \
1018	" title" \
1019	]
1020	}
1021	foreach tuple $expmap(histlistboxcontents) {
1022	set h [lindex $tuple 0]
1023
1024	if {$expgui(globalmode) == 1} {
1025	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1026	} elseif {$expgui(globalmode) == 2} {
1027	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1028	} elseif {$expgui(globalmode) == 3} {
1029	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1030	[histinfo $h lam2] == 0.0} continue
1031	} elseif {$expgui(globalmode) == 4} {
1032	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1033	[histinfo $h lam2] != 0.0} continue
1034	} elseif {$expgui(globalmode) == 5} {
1035	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1036	}
1037
1038	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1039	set det [format %8.2f [histinfo $h tofangle]]
1040	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1041	set det [format %8.5f [histinfo $h lam1]]
1042	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1043	set det [format %8.2f [histinfo $h lam1]]
1044	} else {
1045	set det {}
1046	}
1047	foreach lbox $expgui(HistSelectList) {
1048	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1049	$h \
1050	[string range $expmap(htype_$h) 1 2] \
1051	[histinfo $h bank] \
1052	$det \
1053	[string range [histinfo $h title] 0 66] \
1054	]
1055	}
1056	}
1057	foreach set $expgui(frameactionlist) {
1058	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1059	}
1060	}
1061
1062	#-----------------------------------------------------------------------
1063	# ----------- draw Histogram page
1064	#-----------------------------------------------------------------------
1065	proc DisplayHistogram {} {
1066	global expgui entrycmd entryvar expmap
1067
1068	# trap if more than one histogram is selected unless global mode
1069	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1070	set expgui(curhist) [lindex $expgui(curhist) 0]
1071	}
1072
1073	# display the selected histograms
1074	$expgui(histFrame).hs.lbox selection clear 0 end
1075	foreach h $expgui(curhist) {
1076	$expgui(histFrame).hs.lbox selection set $h
1077	}
1078
1079	# disable traces on entryvar for right now
1080	set entrycmd(trace) 0
1081
1082	# get histogram list
1083	set histlist {}
1084	foreach item $expgui(curhist) {
1085	lappend histlist [lindex $expmap(powderlist) $item]
1086	}
1087	# must have at least one histogram selected here
1088	if {[llength $histlist] == 0} {
1089	set expgui(backtermlbl) ""
1090	set expgui(backtypelbl) ""
1091	foreach var {bref bdamp} {
1092	set entrycmd($var) ""
1093	set entryvar($var) ""
1094	}
1095	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1096	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1097	set expgui(bkglbl) ""
1098	eval destroy [grid slaves $expgui(diffBox)]
1099	set entrycmd(trace) 1
1100	return
1101	}
1102
1103	if {$expgui(globalmode) != 0} {
1104	set expgui(backtermlbl) ""
1105	set expgui(backtypelbl) ""
1106	foreach var {bref bdamp} {
1107	set entrycmd($var) "histinfo [list $histlist] $var"
1108	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1109	}
1110	} else {
1111	set hist $histlist
1112	set terms [histinfo $hist backterms]
1113	set expgui(backtermlbl) "($terms terms)"
1114	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1115	foreach var {bref bdamp} {
1116	set entrycmd($var) "histinfo $hist $var"
1117	set entryvar($var) [eval $entrycmd($var)]
1118	}
1119	}
1120	# Top box
1121	if {$expgui(globalmode) != 0} {
1122	$expgui(histFrame).top.txt config \
1123	-text "Selected Histograms: [CompressList $histlist]"
1124	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1125	set expgui(bkglbl) "Globally Edit Background"
1126	} else {
1127	grid forget $expgui(histFrame).top
1128	set expgui(bkglbl) "Edit Background"
1129	}
1130
1131	# diffractometer constants
1132	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1133	wref pref dcref daref ratref ttref zref } {
1134	set entrycmd($var) "histinfo [list $histlist] $var"
1135	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1136	}
1137
1138	eval destroy [grid slaves $expgui(diffBox)]
1139	if {$expgui(globalmode) == 0} {
1140	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1141	#------
1142	# TOF \|
1143	#------
1144	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1145	-column 1 -row 1
1146	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1147	-column 2 -row 1
1148	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1149	-column 3 -row 1 -sticky w
1150	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1151	-width 15 ] -column 4 -row 1
1152	#
1153	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1154	-column 1 -row 2
1155	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1156	-column 2 -row 2
1157	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1158	-column 3 -row 2
1159	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1160	-width 15 ] -column 4 -row 2
1161	#
1162	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1163	-column 3 -row 3
1164	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1165	-width 15 ] -column 4 -row 3
1166	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1167	-column 1 -row 3 -sticky w
1168	grid [ checkbutton $expgui(diffBox).rfDCzref \
1169	-variable entryvar(zref) ] -column 2 -row 3
1170	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1171	#---------------
1172	# CW - neutron \|
1173	#---------------
1174	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1175	-column 1 -row 1
1176	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1177	-column 2 -row 1
1178	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1179	-column 3 -row 1 -sticky w
1180	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1181	-width 15 ] -column 4 -row 1
1182	#
1183	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1184	-column 1 -row 3 -sticky w
1185	grid [ checkbutton $expgui(diffBox).rfDCzref \
1186	-variable entryvar(zref) ] -column 2 -row 3
1187	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1188	-column 3 -row 3
1189	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1190	-width 15 ] -column 4 -row 3
1191	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1192	[histinfo $hist lam2] == 0.0} {
1193	#--------------------------
1194	# CW - x-ray 1 wavelength \|
1195	#--------------------------
1196	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1197	-column 1 -row 1
1198	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1199	-column 2 -row 1
1200	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1201	-column 3 -row 1 -sticky w
1202	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1203	-width 15 ] -column 4 -row 1
1204	#
1205	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1206	-column 1 -row 3 -sticky w
1207	grid [ checkbutton $expgui(diffBox).rfDCzref \
1208	-variable entryvar(zref) ] -column 2 -row 3
1209	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1210	-column 3 -row 3
1211	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1212	-width 15 ] -column 4 -row 3
1213	#
1214	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1215	-column 1 -row 4 -sticky w
1216	grid [ checkbutton $expgui(diffBox).rfDCpref \
1217	-variable entryvar(pref) ] -column 2 -row 4
1218	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1219	-column 3 -row 4
1220	grid [ entry $expgui(diffBox).eDCpola \
1221	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1222	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1223	-column 5 -row 4
1224	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1225	-textvariable entryvar(ipola)] -column 6 -row 4
1226	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1227	#---------------------------
1228	# CW - x-ray 2 wavelengths \|
1229	#---------------------------
1230	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1231	-column 3 -row 1 -sticky w
1232	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1233	-width 15 ] -column 4 -row 1
1234	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1235	-width 15 ] -column 5 -row 1
1236	#
1237	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1238	-column 1 -row 2 -sticky w
1239	grid [ checkbutton $expgui(diffBox).rfDCrref \
1240	-variable entryvar(ratref) ] -column 2 -row 2
1241	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1242	-column 3 -row 2
1243	grid [ entry $expgui(diffBox).eDCkratio \
1244	-textvariable entryvar(kratio) \
1245	-width 15 ] -column 4 -row 2
1246	#
1247	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1248	-column 3 -row 3
1249	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1250	-width 15 ] -column 4 -row 3
1251	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1252	-column 1 -row 3 -sticky w
1253	grid [ checkbutton $expgui(diffBox).rfDCzref \
1254	-variable entryvar(zref) ] -column 2 -row 3
1255	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1256	-column 1 -row 4 -sticky w
1257	grid [ checkbutton $expgui(diffBox).rfDCpref \
1258	-variable entryvar(pref) ] -column 2 -row 4
1259	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1260	-column 3 -row 4
1261	grid [ entry $expgui(diffBox).eDCpola \
1262	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1263	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1264	-column 5 -row 4
1265	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1266	-textvariable entryvar(ipola)] -column 6 -row 4
1267	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1268	#-------------
1269	# ED - x-ray \|
1270	#-------------
1271	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1272	-column 1 -row 1
1273	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1274	-column 2 -row 1
1275	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1276	-column 3 -row 1 -sticky w
1277	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1278	-width 15 ] -column 4 -row 1
1279	#
1280	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1281	-column 1 -row 4 -sticky w
1282	grid [ checkbutton $expgui(diffBox).rfDCpref \
1283	-variable entryvar(pref) ] -column 2 -row 4
1284	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1285	-column 3 -row 4
1286	grid [ entry $expgui(diffBox).eDCpola \
1287	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1288	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1289	-column 5 -row 4
1290	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1291	-textvariable entryvar(ipola)] -column 6 -row 4
1292	}
1293	} elseif {$expgui(globalmode) == 1} {
1294	#-------------
1295	# Global TOF \|
1296	#-------------
1297	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1298	-column 1 -row 1
1299	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1300	-column 2 -row 1
1301	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1302	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1303	#
1304	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1305	-column 1 -row 2
1306	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1307	-column 2 -row 2
1308	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1309	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1310	#
1311	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1312	-column 1 -row 3 -sticky w
1313	grid [ checkbutton $expgui(diffBox).rfDCzref \
1314	-variable entryvar(zref) ] -column 2 -row 3
1315	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1316	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1317	} elseif {$expgui(globalmode) == 2} {
1318	#--------------------
1319	# Global CW neutron \|
1320	#--------------------
1321	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1322	-column 1 -row 1
1323	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1324	-column 2 -row 1
1325	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1326	-command "editglobalparm histinfo lam1 Wavelength"] \
1327	-column 3 -row 1
1328	#
1329	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1330	-column 1 -row 3 -sticky w
1331	grid [ checkbutton $expgui(diffBox).rfDCzref \
1332	-variable entryvar(zref) ] -column 2 -row 3
1333	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1334	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1335	} elseif {$expgui(globalmode) == 4} {
1336	#----------------------
1337	# Global CW mono xray \|
1338	#----------------------
1339	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1340	-column 1 -row 1
1341	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1342	-column 2 -row 1
1343	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1344	-command "editglobalparm histinfo lam1 Wavelength"] \
1345	-column 3 -row 1
1346	#
1347	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1348	-column 1 -row 3 -sticky w
1349	grid [ checkbutton $expgui(diffBox).rfDCzref \
1350	-variable entryvar(zref) ] -column 2 -row 3
1351	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1352	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1353	#
1354	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1355	-column 1 -row 4 -sticky w
1356	grid [ checkbutton $expgui(diffBox).rfDCpref \
1357	-variable entryvar(pref) ] -column 2 -row 4
1358	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1359	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1360	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1361	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1362	} elseif {$expgui(globalmode) == 3} {
1363	#------------------------
1364	# Global alpha 1,2 xray \|
1365	#------------------------
1366	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1367	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1368	-column 3 -row 1
1369	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1370	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1371	-column 4 -row 1
1372	#
1373	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1374	-column 1 -row 3 -sticky w
1375	grid [ checkbutton $expgui(diffBox).rfDCratref \
1376	-variable entryvar(ratref) ] -column 2 -row 3
1377	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1378	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1379	-column 3 -row 3
1380	#
1381	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1382	-column 1 -row 3 -sticky w
1383	grid [ checkbutton $expgui(diffBox).rfDCzref \
1384	-variable entryvar(zref) ] -column 2 -row 3
1385	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1386	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1387	#
1388	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1389	-column 1 -row 4 -sticky w
1390	grid [ checkbutton $expgui(diffBox).rfDCpref \
1391	-variable entryvar(pref) ] -column 2 -row 4
1392	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1393	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1394	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1395	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1396	} elseif {$expgui(globalmode) == 5} {
1397	#-----------------
1398	# Global ED xray \|
1399	#-----------------
1400	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1401	-column 1 -row 1
1402	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1403	-column 2 -row 1
1404	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1405	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1406	-column 3 -row 1
1407	#
1408	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1409	-column 1 -row 4 -sticky w
1410	grid [ checkbutton $expgui(diffBox).rfDCpref \
1411	-variable entryvar(pref) ] -column 2 -row 4
1412	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1413	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1414	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1415	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1416	}
1417	if {$expgui(globalmode) == 0} {
1418	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1419	-columnspan 2 -sticky e
1420	} else {
1421	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1422	-columnspan 2 -sticky e
1423	}
1424	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1425	-column 1 -row 1
1426	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1427	grid $expgui(diffBox).d.om -column 2 -row 1
1428	grid columnconfigure $expgui(diffBox) 9 -weight 1
1429	grid columnconfigure $expgui(diffBox) 0 -weight 1
1430	update idletasks
1431	# enable traces on entryvar now
1432	set entrycmd(trace) 1
1433	}
1434
1435	#-----------------------------------------------------------------------
1436	# populate the Scaling page
1437	#-----------------------------------------------------------------------
1438	proc DisplayFrac {} {
1439	global expgui entrycmd entryvar expmap
1440
1441	# trap if more than one histogram is selected unless global mode
1442	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1443	set expgui(curhist) [lindex $expgui(curhist) 0]
1444	}
1445
1446	# display the selected histograms
1447	$expgui(fracFrame).hs.lbox selection clear 0 end
1448	foreach h $expgui(curhist) {
1449	$expgui(fracFrame).hs.lbox selection set $h
1450	}
1451
1452	# disable traces on entryvar
1453	set entrycmd(trace) 0
1454
1455	# get histogram list
1456	set histlist {}
1457	foreach item $expgui(curhist) {
1458	lappend histlist [lindex $expmap(powderlist) $item]
1459	}
1460
1461	# must have at least one histogram selected here
1462	if {[llength $histlist] == 0} {
1463	foreach var {scale sref sdamp} {
1464	set entrycmd($var) ""
1465	set entryvar($var) ""
1466	}
1467	set parm [grid info $expgui(scaleBox).but1]
1468	if {$parm != ""} {
1469	grid forget $expgui(scaleBox).but1
1470	eval grid $expgui(scaleBox).ent1 $parm
1471	}
1472	# destroy the contents of the frame
1473	set phaseFractf1 $expgui(FracBox).f
1474	eval destroy [grid slaves $phaseFractf1]
1475	# reenable traces on entryvar
1476	set entrycmd(trace) 1
1477	return
1478	}
1479
1480	#--------------
1481	# Scale factor
1482	#--------------
1483	if {$expgui(globalmode) != 0} {
1484	foreach var {scale sref sdamp} {
1485	set entrycmd($var) "histinfo [list $histlist] $var"
1486	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1487	}
1488	set parm [grid info $expgui(scaleBox).ent1]
1489	if {$parm != ""} {
1490	grid forget $expgui(scaleBox).ent1
1491	eval grid $expgui(scaleBox).but1 $parm
1492	}
1493	} else {
1494	set hist $histlist
1495	foreach var {scale sref sdamp} {
1496	set entrycmd($var) "histinfo $hist $var"
1497	set entryvar($var) [eval $entrycmd($var)]
1498	}
1499	set parm [grid info $expgui(scaleBox).but1]
1500	if {$parm != ""} {
1501	grid forget $expgui(scaleBox).but1
1502	eval grid $expgui(scaleBox).ent1 $parm
1503	}
1504	}
1505
1506	#----------------
1507	# Phase Fractions
1508	#----------------
1509	set phaseFractf1 $expgui(FracBox).f
1510	# destroy the contents of the frame
1511	eval destroy [grid slaves $phaseFractf1]
1512	if {$expgui(globalmode) != 0} {
1513	grid [label $phaseFractf1.txt -anchor center \
1514	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1515	-column 0 -row 0 -sticky news
1516	} else {
1517	grid [label $phaseFractf1.txt -anchor center \
1518	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1519	}
1520	# Create the frame inside the canvas, One frame for each Phase.
1521	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1522	foreach hist $histlist {
1523	foreach i $expmap(phaselist_$hist) {
1524	lappend phasehistlist($i) $hist
1525	}
1526	}
1527	foreach i {1 2 3 4 5 6 7 8 9} {
1528	if {[llength $phasehistlist($i)] == 0} continue
1529	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1530	grid $framePF -column 0 -row $i -sticky ew
1531	# Label Heading for each phase.
1532	if {$expgui(globalmode) != 0} {
1533	grid [label $framePF.l1 \
1534	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1535	-column 0 -row 0 -sticky nws
1536	grid [button $framePF.but1 -text "Set Globally" \
1537	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1538	[list $phasehistlist($i)] $i" \
1539	] -column 1 -row 0
1540	} else {
1541	grid [label $framePF.l1 -text "Phase $i fraction"] \
1542	-column 0 -row 0 -sticky nws
1543	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1544	-column 1 -row 0
1545	}
1546	set entrycmd(frac$i) "hapinfo $hist $i frac"
1547	set entryvar(frac$i) [hapinfo $hist $i frac]
1548	grid [label $framePF.l2 -text " Refine"] \
1549	-column 2 -row 0 -sticky nws
1550	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1551	-column 3 -row 0 -sticky nws
1552	set entrycmd(frref$i) "hapinfo $hist $i frref"
1553	set entryvar(frref$i) [hapinfo $hist $i frref]
1554	grid [label $framePF.l3 -text " Damping"] \
1555	-column 4 -row 0 -sticky nws
1556	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1557	0 1 2 3 4 5 6 7 8 9
1558	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1559	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1560	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1561	}
1562	# resize the scroll window to match the actual
1563	update idletasks
1564	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1565	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1566	update idletasks
1567	# enable traces on entryvar now
1568	set entrycmd(trace) 1
1569	}
1570
1571	#-----------------------------------------------------------------------
1572	# display the profile page
1573	#-----------------------------------------------------------------------
1574	proc DisplayProfile {} {
1575	global expgui entrycmd entryvar expmap
1576
1577	# trap if more than one histogram is selected unless global mode
1578	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1579	set expgui(curhist) [lindex $expgui(curhist) 0]
1580	}
1581	# display the selected histograms
1582	$expgui(profFrame).hs.lbox selection clear 0 end
1583	foreach h $expgui(curhist) {
1584	$expgui(profFrame).hs.lbox selection set $h
1585	}
1586
1587	# destroy the contents of the frame
1588	eval destroy [grid slaves $expgui(ProfileBox).f]
1589
1590	if {$expgui(globalmode) == 0} {
1591	# must have at least one histogram selected here
1592	if {[llength $expgui(curhist)] == 0} return
1593	# disable traces on entryvar for right now
1594	set entrycmd(trace) 0
1595	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1596	# no defined histograms?
1597	if {$hist == ""} return
1598	# Create one frame for each Phase.
1599	set ind -1
1600	set htype [string range $expmap(htype_$hist) 2 2]
1601	foreach i $expmap(phaselist_$hist) {
1602	incr ind
1603	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1604	-column 0 -row $ind -sticky ew
1605	grid [frame $expgui(ProfileBox).f.$i.1] \
1606	-column 0 -row 0 -columnspan 10 -sticky ew
1607	# Label Heading for each phase.
1608	set ptype [string trim [hapinfo $hist $i proftype]]
1609	pack [label $expgui(ProfileBox).f.$i.1.l \
1610	-text "Phase $i -- type $ptype Damping"]\
1611	-side left
1612	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1613	0 1 2 3 4 5 6 7 8 9
1614	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1615	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1616	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1617	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1618	-text " Peak cutoff"]\
1619	-side left
1620	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1621	-width 10 -textvariable entryvar(pcut_$i)]\
1622	-side left
1623	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1624	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1625
1626	set col -1
1627	set row 1
1628	set nterms [hapinfo $hist $i profterms]
1629	set lbls {}
1630	catch {set lbls $expgui(prof-$htype-$ptype)}
1631	# for type 4, add extra terms depending on the cell type
1632	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1633	for { set num 1 } { $num <= $nterms } { incr num } {
1634	set term {}
1635	catch {set term [lindex $lbls $num]}
1636	if {$term == ""} {set term $num}
1637	incr col
1638	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1639	-row $row -column $col
1640	incr col
1641	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1642	-variable entryvar(pref${num}_$i)] -row $row -column $col
1643	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1644	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1645	incr col
1646	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1647	-textvariable entryvar(pterm${num}_$i)\
1648	-width 12] -row $row -column $col
1649	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1650	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1651	if {$col > 6} {set col -1; incr row}
1652	}
1653	}
1654	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1655	} else {
1656	# get histogram list
1657	set histlist {}
1658	foreach item $expgui(curhist) {
1659	lappend histlist [lindex $expmap(powderlist) $item]
1660	}
1661	# must have at least one histogram selected here
1662	if {[llength $histlist] == 0} return
1663	# disable traces on entryvar for right now
1664	set entrycmd(trace) 0
1665	# loop through histograms & phases, set up an array by phase & profile type
1666	catch {unset prtyparray histarray phasearray}
1667	foreach hist $histlist {
1668	foreach phase $expmap(phaselist_$hist) {
1669	set prtyp [string trim [hapinfo $hist $phase proftype]]
1670	set key ${prtyp}_$phase
1671	lappend prtyparray($key) $hist
1672	lappend histarray($key) $hist
1673	lappend phasearray($key) $phase
1674	}
1675	}
1676
1677	set ptype ""
1678	set i -1
1679	# loop over all combined phases and profile types, sorted 1st by profile number
1680	foreach key [lsort [array names prtyparray]] {
1681	# split key
1682	scan $key %d_%d prftyp p
1683
1684	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1685	set ptype $prftyp
1686	set curhistlist $histarray($key)
1687	set curphaslist $phasearray($key)
1688
1689	set hist1 [lindex $curhistlist 0]
1690	set phase1 [lindex $curphaslist 0]
1691	set nterms [hapinfo $hist1 $phase1 profterms]
1692	set htype [string range $expmap(htype_$hist1) 2 2]
1693	set lbls $expgui(prof-$htype-$ptype)
1694	# for type 4, add extra terms depending on the cell type
1695	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1696	# Create a frame for this type
1697	incr i
1698	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1699	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1700	-column 0 -row $i -sticky ew
1701	grid [frame $expgui(ProfileBox).f.$i.0] \
1702	-column 0 -row 0 -columnspan 20 -sticky ew
1703	grid [label $expgui(ProfileBox).f.$i.0.0 \
1704	-text "Profile Type $ptype "] -row 0 -column 0
1705	grid [label $expgui(ProfileBox).f.$i.0.1 \
1706	-anchor w] -row 0 -column 1
1707	grid [frame $expgui(ProfileBox).f.$i.1] \
1708	-column 0 -row 1 -columnspan 20 -sticky ew
1709	grid [label $expgui(ProfileBox).f.$i.1.2 \
1710	-text "Damping"] -row 0 -column 2
1711	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1712	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1713	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1714	grid [button $expgui(ProfileBox).f.$i.1.edit \
1715	-text "Global Edit"] -row 0 -column 4 -sticky w
1716	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1717	set col -1
1718	set row 2
1719	for { set num 1 } { $num <= $nterms } { incr num } {
1720	set term {}
1721	catch {set term [lindex $lbls $num]}
1722	if {$term == ""} {set term $num}
1723	incr col
1724	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} \
1725	-text "$term"] -row $row -column $col
1726	incr col
1727	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1728	-variable entryvar(pref${num}_$i)] \
1729	-row $row -column $col
1730	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1731	if {$col > 10} {set col -1; incr row}
1732	}
1733	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1734	} else {
1735	# add to the current entry
1736	eval lappend curhistlist $histarray($key)
1737	eval lappend curphaslist $phasearray($key)
1738	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1739	}
1740	$expgui(ProfileBox).f.$i.0.1 config -text $boxtitle
1741	$expgui(ProfileBox).f.$i.1.edit config -command "\
1742	EditProfile \"\n$boxtitle\" \
1743	[list $curhistlist] \
1744	[list $curphaslist]"
1745	set entrycmd(pdamp_$i) "hapinfo \
1746	[list $curhistlist] \
1747	[list $curphaslist] pdamp"
1748	for { set num 1 } { $num <= $nterms } { incr num } {
1749	set entrycmd(pref${num}_$i) "hapinfo \
1750	[list $curhistlist] \
1751	[list $curphaslist] pref$num"
1752	}
1753	}
1754	}
1755
1756	# resize the scroll window to match the actual
1757	update idletasks
1758	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1759	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1760	update idletasks
1761	# enable traces on entryvar now
1762	set entrycmd(trace) 1
1763	}
1764
1765	# profile labels for type 4 profile
1766	proc type4lbls {lbls nterms phase} {
1767	if {$nterms == 14} {
1768	# cubic
1769	lappend lbls S400 S220
1770	} elseif {$nterms == 15} {
1771	# hexagonal
1772	lappend lbls S400 S004 S202
1773	} elseif {$nterms == 16} {
1774	# tetragonal or rhombohedral
1775	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1776	# rhombohedral
1777	lappend lbls S400 S220 S310 S211
1778	} else {
1779	lappend lbls S400 S004 S220 S202
1780	}
1781	} elseif {$nterms == 18} {
1782	# orthorhombic
1783	lappend lbls S400 S040 S004 S220 S202 S022
1784	} elseif {$nterms == 21} {
1785	# monoclinic
1786	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1787	} elseif {$nterms == 25} {
1788	# triclinic
1789	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1790	S130 S301 S013 S211 S121 S112
1791	}
1792	return $lbls
1793	}
1794
1795	# process the bit settings in the print options
1796	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1797	proc printsetting {bitnum "action get" "value {}"} {
1798	global entryvar expgui
1799	if {$action == "get"} {
1800	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1801	} elseif $value {
1802	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1803	} else {
1804	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1805	}
1806	expinfo print set $newval
1807	set expgui(printopt) "Print Options ([expinfo print])"
1808	}
1809
1810	# need to respond to mouse presses -- control variable associated with extract Fobs
1811	# and set the LeBail extraction flags
1812	proc SetupExtractHist {} {
1813	global expgui entrycmd entryvar expmap
1814
1815	# display the selected histograms
1816	$expgui(lsFrame).hs.lbox selection clear 0 end
1817	foreach h $expgui(curhist) {
1818	$expgui(lsFrame).hs.lbox selection set $h
1819	}
1820
1821	# get histogram list
1822	set histlist {}
1823	foreach item $expgui(curhist) {
1824	set hist [lindex $expmap(powderlist) $item]
1825	if {$hist != ""} {lappend histlist $hist}
1826	}
1827	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1828	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1829	foreach phase {1 2 3 4 5 6 7 8 9} {
1830	$expgui(lsFrame).f1.a.l$phase config -fg grey
1831	set expgui(Fextract$phase) {}
1832	foreach item $expgui(ExtractSettingsRadiobuttons) {
1833	${item}$phase config -state disabled -bd 1
1834	}
1835	}
1836	} elseif {[llength $histlist] == 1} {
1837	# disable traces on entryvar
1838	set entrycmd(trace) 0
1839	set entryvar(fobsextract) [histinfo $histlist foextract]
1840	foreach phase {1 2 3 4 5 6 7 8 9} {
1841	# is the phase present?
1842	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1843	$expgui(lsFrame).f1.a.l$phase config -fg grey
1844	set expgui(Fextract$phase) {}
1845	foreach item $expgui(ExtractSettingsRadiobuttons) {
1846	${item}$phase config -state disabled -bd 1
1847	}
1848	} else {
1849	$expgui(lsFrame).f1.a.l$phase config -fg black
1850	foreach item $expgui(ExtractSettingsRadiobuttons) {
1851	${item}$phase config -state normal -bd 2
1852	}
1853	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1854	}
1855	}
1856	} elseif {[llength $histlist] > 1} {
1857	# disable traces on entryvar
1858	set entrycmd(trace) 0
1859	# multiple histograms need phases in any histogram
1860	foreach phase {1 2 3 4 5 6 7 8 9} {
1861	set gotphase($phase) 0
1862	}
1863	foreach hist $histlist {
1864	foreach phase $expmap(phaselist_$hist) {
1865	set gotphase($phase) 1
1866	}
1867	}
1868	foreach phase {1 2 3 4 5 6 7 8 9} {
1869	set expgui(Fextract$phase) {}
1870	if $gotphase($phase) {
1871	$expgui(lsFrame).f1.a.l$phase config -fg black
1872	foreach item $expgui(ExtractSettingsRadiobuttons) {
1873	${item}$phase config -state normal -bd 2
1874	}
1875	} else {
1876	$expgui(lsFrame).f1.a.l$phase config -fg grey
1877	foreach item $expgui(ExtractSettingsRadiobuttons) {
1878	${item}$phase config -state disabled -bd 1
1879	}
1880	}
1881	}
1882	}
1883	# reenable traces
1884	set entrycmd(trace) 1
1885	}
1886	# respond to a change in the fobs extraction method for a phase
1887	# force the main extraction flag on, if fobs extraction is selected for any phase
1888	proc HistExtractSet {phase} {
1889	global expgui entryvar expmap
1890	foreach item $expgui(curhist) {
1891	lappend histlist [lindex $expmap(powderlist) $item]
1892	}
1893	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1894	incr expgui(changed)
1895	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1896	}
1897	#---------------------------- Global Edit Functions ------------------------
1898	proc editbackground {} {
1899	global expgui expmap entrycmd
1900	set histlist {}
1901	foreach n $expgui(curhist) {
1902	lappend histlist [lindex $expmap(powderlist) $n]
1903	}
1904	if {[llength $histlist] == 0} return
1905
1906	set w .back
1907	catch {destroy $w}
1908	toplevel $w -bg beige
1909	if {$expgui(globalmode) != 0} {
1910	wm title $w "Edit Background"
1911	} else {
1912	wm title $w "Global Edit Background"
1913	}
1914
1915	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1916	] -side top -expand yes -fill both
1917	if {[llength $histlist] > 1} {
1918	grid [label $w.0.a \
1919	-text "Setting background terms for histograms [CompressList $histlist]" \
1920	-bg beige] -row 0 -column 0 -columnspan 10
1921	} else {
1922	grid [label $w.0.a \
1923	-text "Setting background terms for histogram $histlist" \
1924	-bg beige] -row 0 -column 0 -columnspan 10
1925	}
1926	set hist [lindex $histlist 0]
1927	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1928
1929	# disable traces on expgui(backtype) & expgui(backterms) now
1930	set entrycmd(trace) 0
1931
1932	# number of terms
1933	set expgui(backtype) [histinfo $hist backtype]
1934	set expgui(orig_backtype) $expgui(backtype)
1935	set expgui(prev_backtype) $expgui(backtype)
1936	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1937	grid $w.0.type -row 1 -column 1
1938	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1939
1940	# function type
1941	set expgui(backterms) [histinfo $hist backterms]
1942	set expgui(orig_backterms) $expgui(backterms)
1943	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1944	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1945	grid $w.0.terms -row 1 -column 3
1946	# enable traces on expgui(backtype) & expgui(backterms) now
1947	set entrycmd(trace) 1
1948
1949	#set background terms
1950	for {set num 1 } { $num <= 36 } { incr num } {
1951	set var "bterm$num"
1952	set expgui($var) {}
1953	set expgui(orig_$var) {}
1954	}
1955	if {[llength $histlist] == 1} {
1956	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1957	set var "bterm$num"
1958	set expgui($var) [histinfo $histlist $var]
1959	set expgui(orig_$var) $expgui($var)
1960	}
1961	}
1962
1963	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1964	-expand yes -fill both
1965	ShowBackTerms $w.1
1966
1967	set expgui(temp) {}
1968	pack [frame $w.b] -side top
1969	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1970	pack [button $w.b.3 -text Quit \
1971	-command "QuitEditBackground $w"] -side left
1972	bind $w <Return> "destroy $w"
1973
1974	# force the window to stay on top
1975	putontop $w
1976
1977	focus $w.b.2
1978	tkwait window $w
1979	afterputontop
1980
1981	if {$expgui(temp) != ""} return
1982
1983	if {$expgui(orig_backtype) != $expgui(backtype)} {
1984	histinfo $histlist backtype set $expgui(backtype)
1985	incr expgui(changed)
1986	}
1987	if {$expgui(orig_backterms) != $expgui(backterms)} {
1988	histinfo $histlist backterms set $expgui(backterms)
1989	incr expgui(changed)
1990	}
1991	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1992	set var "bterm$num"
1993	if {$expgui(orig_$var) != $expgui($var)} {
1994	histinfo $histlist $var set $expgui($var)
1995	incr expgui(changed)
1996	}
1997	}
1998
1999	if {$expgui(globalmode) == 0} {
2000	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2001	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2002	}
2003	}
2004
2005	trace variable expgui(backterms) w ChangeBackTerms
2006	proc ChangeBackTerms {a b c} {
2007	global entrycmd expgui
2008	if !$entrycmd(trace) return
2009	ShowBackTerms .back.1
2010	}
2011
2012	trace variable expgui(backtype) w ChangeBackType
2013	# reset the terms to 1, 0, 0... when the number of terms increase
2014	proc ChangeBackType {a b c} {
2015	global entrycmd expgui
2016	if !$entrycmd(trace) return
2017	if {$expgui(prev_backtype) == $expgui(backtype)} return
2018	set expgui(prev_backtype) $expgui(backtype)
2019	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2020	set var "bterm$num"
2021	if {$num == 1} {
2022	set expgui($var) 1.0
2023	} else {
2024	set expgui($var) 0.0
2025	}
2026	}
2027	}
2028
2029	proc ShowBackTerms {w } {
2030	global expgui expmap
2031	# destroy the contents of the frame
2032	eval destroy [grid slaves $w]
2033	set histlist {}
2034	foreach n $expgui(curhist) {
2035	lappend histlist [lindex $expmap(powderlist) $n]
2036	}
2037	set widgetsPerRow 4
2038	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2039	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2040	set var "bterm$num"
2041	grid [label $w.l$num -text $num -bg beige] \
2042	-row $rows -column $cols -sticky nes
2043	incr cols
2044	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2045	] -row $rows -column $cols -sticky news
2046	incr cols
2047	}
2048	}
2049	}
2050
2051	proc QuitEditBackground {w} {
2052	global expgui
2053	# lets find out if anything changed
2054	set changed 0
2055	if {$expgui(orig_backtype) != $expgui(backtype)} {
2056	set changed 1
2057	}
2058	if {$expgui(orig_backterms) != $expgui(backterms)} {
2059	set changed 1
2060	}
2061	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2062	set var "bterm$num"
2063	if {$expgui(orig_$var) != $expgui($var)} {
2064	set changed 1
2065	break
2066	}
2067	}
2068	if $changed {
2069	set decision [tk_dialog .changes "Abandon Changes" \
2070	"You have made changes to the background. Ok to abandon changes?" \
2071	warning 0 Abandon Keep]
2072	if !$decision {
2073	set expgui(temp) "Quit"
2074	destroy $w
2075	}
2076	} else {
2077	set expgui(temp) "Quit"
2078	destroy $w
2079	}
2080	}
2081
2082	# this probably needs work
2083	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2084	global expgui expmap
2085	set w .global
2086	catch {destroy $w}
2087	toplevel $w -bg beige
2088	wm title $w "Edit Global Parameter"
2089	set expgui(temp) {}
2090	if {[llength $histlist] == 0} {
2091	set hist {}
2092	foreach n $expgui(curhist) {
2093	lappend hist [lindex $expmap(powderlist) $n]
2094	}
2095	} else {
2096	set hist $histlist
2097	}
2098	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2099	-side top -expand yes -fill both
2100	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2101	-bg beige] \
2102	-row 0 -column 0 -columnspan 10
2103	grid [entry $w.0.b -textvariable expgui(temp)] \
2104	-row 1 -column 0
2105
2106
2107	pack [frame $w.b] -side top
2108	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2109	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2110	bind $w <Return> "destroy $w"
2111
2112	# force the window to stay on top
2113	putontop $w
2114	focus $w.b.2
2115	tkwait window $w
2116	afterputontop
2117
2118	if {$expgui(temp) != ""} {
2119	foreach h $hist {
2120	if {$cmd == "histinfo"} {
2121	histinfo $h $variable set $expgui(temp)
2122	incr expgui(changed)
2123	if $expgui(debug) {
2124	puts "histinfo $h $variable set $expgui(temp)"
2125	}
2126	} elseif {$cmd == "hapinfo"} {
2127	hapinfo $h $phase $variable set $expgui(temp)
2128	incr expgui(changed)
2129	if $expgui(debug) {
2130	puts "hapinfo $phase $h $variable set $expgui(temp)"
2131	}
2132	} else {
2133	error "$cmd unimplemented"
2134	}
2135	}
2136	}
2137	}
2138
2139	proc EditProfile {title histlist phaselist} {
2140	global expgui expmap entrycmd
2141	set w .back
2142	catch {destroy $w}
2143	toplevel $w -bg beige
2144	wm title $w "Global Edit Profile"
2145	set hist [lindex $histlist 0]
2146	set phase [lindex $phaselist 0]
2147	set ptype [string trim [hapinfo $hist $phase proftype]]
2148	set htype [string range $expmap(htype_$hist) 2 2]
2149	set nterms [hapinfo $hist $phase profterms]
2150
2151	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2152	] -side top -expand yes -fill both
2153	grid [label $w.0.a \
2154	-text "Setting profile terms: $title" \
2155	-bg beige] -row 0 -column 0 -columnspan 10
2156	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2157
2158	# number of terms
2159	# set expgui(backtype) [histinfo $hist backtype]
2160	# set expgui(orig_backtype) $expgui(backtype)
2161	# set expgui(prev_backtype) $expgui(backtype)
2162	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2163	# grid $w.0.type -row 1 -column 1
2164
2165	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2166	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2167	set entrylist {}
2168	lappend entrylist "pcut $w.0.d"
2169
2170	set col -1
2171	set row 1
2172	set lbls $expgui(prof-$htype-$ptype)
2173	# for type 4, add extra terms depending on the cell type
2174	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2175	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2176	] -side top -expand yes -fill both
2177	for { set num 1 } { $num <= $nterms } { incr num } {
2178	set term {}
2179	catch {set term [lindex $lbls $num]}
2180	if {$term == ""} {set term $num}
2181	incr col
2182	grid [label $w.1.l${num} -text "$term" -bg beige] \
2183	-row $row -column $col
2184	incr col
2185	grid [entry $w.1.ent${num} \
2186	-width 14] -row $row -column $col
2187	lappend entrylist "pterm$num $w.1.ent${num}"
2188	if {$col > 6} {set col -1; incr row}
2189	}
2190	pack [frame $w.b] -side top
2191	pack [button $w.b.2 -text Set \
2192	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2193	[list $histlist] $w"] -side left
2194	pack [button $w.b.3 -text Quit \
2195	-command "QuitEditProfile $w [list $entrylist]"] -side left
2196	bind $w <Return> "destroy $w"
2197
2198	# force the window to stay on top
2199	putontop $w
2200	focus $w.b.2
2201	tkwait window $w
2202	afterputontop
2203	}
2204
2205	proc SetEditProfile {entrylist phaselist histlist w} {
2206	global expgui
2207	foreach item $entrylist {
2208	set value [ [lindex $item 1] get ]
2209	if {$value != ""} {
2210	hapinfo $histlist $phaselist [lindex $item 0] set $value
2211	incr expgui(changed)
2212	if $expgui(debug) {
2213	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2214	}
2215	}
2216	}
2217	destroy $w
2218	}
2219
2220	proc QuitEditProfile {w entrylist} {
2221	global expgui
2222	# lets find out if anything changed
2223	set changed 0
2224	foreach item $entrylist {
2225	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2226	}
2227	if $changed {
2228	set decision [tk_dialog .changes "Abandon Changes" \
2229	"You have made changes to the Profile. Ok to abandon changes?" \
2230	warning 0 Abandon Keep]
2231	if !$decision {destroy $w}
2232	} else {
2233	destroy $w
2234	}
2235	}
2236
2237	##############################################################################
2238	## #############################################
2239	## END OF THE PROCEDURES SECTION #############################################
2240	## #############################################
2241	##############################################################################
2242
2243	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2244	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2245	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2246	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2247	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2248	# A frame for menu items at top of display
2249	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2250	# Pack the menu frame.
2251	pack $expgui(fm) -fill x -side top -anchor n
2252
2253	# create a button bar
2254	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2255
2256	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2257	# & LS controls
2258	if $expgui(havetix) {
2259	pack [tixNoteBook .n] -expand yes -fill both
2260	.n add lsFrame -label "LS Controls"
2261	.n pageconfigure lsFrame -raisecmd \
2262	"set expgui(pagenow) lsFrame; SetupExtractHist"
2263	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2264	.n add phasePane -label "Phase"
2265	.n pageconfigure phasePane -raisecmd \
2266	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2267	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2268	.n add histPane -label "Histogram"
2269	.n pageconfigure histPane -raisecmd \
2270	"set expgui(pagenow) histFrame; DisplayHistogram"
2271	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2272	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2273	.n add fracPane -label "Scaling"
2274	.n pageconfigure fracPane -raisecmd \
2275	"set expgui(pagenow) fracFrame; DisplayFrac"
2276	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2277	.n add profPane -label Profile
2278	.n pageconfigure profPane -raisecmd \
2279	"set expgui(pagenow) profFrame; DisplayProfile"
2280	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2281	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2282	# Finding the pathname to the subwidget frames.
2283	set expgui(phaseFrame) [.n subwidget phasePane]
2284	set expgui(histFrame) [.n subwidget histPane]
2285	set expgui(fracFrame) [.n subwidget fracPane]
2286	set expgui(profFrame) [.n subwidget profPane]
2287	set expgui(lsFrame) [.n subwidget lsFrame]
2288	} else {
2289	Notebook:create .n -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2290	pack .n -anchor w -fill both -expand yes
2291	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2292	page {"LS Controls" Phase Histogram Scaling Profile } {
2293	set expgui($item) [Notebook:frame .n $item]
2294	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2295	}
2296	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2297	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2298	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2299	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2300	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2301	set expgui(GlobalModeAllDisable) {}
2302	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2303	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2304	}
2305
2306	# this is used to bring up the selected frame
2307	proc RaisePage {nextpage} {
2308	global expgui
2309	if $expgui(havetix) {
2310	.n raise $nextpage
2311	set expgui(pagenow) $nextpage
2312	} else {
2313	Notebook:raise .n $nextpage
2314	InitPage $nextpage
2315	}
2316	}
2317	# this is only called when Tix is not present
2318	proc InitPage {nextpage} {
2319	global expgui
2320	set expgui(pagenow) $nextpage
2321	foreach set $expgui(frameactionlist) {
2322	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2323	}
2324	}
2325
2326	#----------------------------------------------------------------------------
2327	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2328	# Setup major frames here
2329	frame $expgui(phaseFrame).top
2330	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2331	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2332	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2333	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2334	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2335
2336	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2337	grid $frameLatt -sticky news -row 2 -column 0
2338	grid $fbig -sticky news -row 3 -column 0
2339	# give extra space to the atoms box
2340	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2341	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2342	grid $frame3 -sticky news -row 4 -column 0
2343	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2344	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2345	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2346	# this is where the buttons will go
2347	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2348
2349	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2350	-fg blue ] -column 1 -row 0 -sticky e
2351	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2352	-fg blue -width 45] -column 2 -row 0 -sticky e
2353	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2354	# ------------- Lattice Parameter Box ------------------
2355	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2356	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2357	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2358	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2359	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2360	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2361	set l1 [label $frameLatt.l1 -text "a"]
2362	set l2 [label $frameLatt.l2 -text "b"]
2363	set l3 [label $frameLatt.l3 -text "c"]
2364	set l4 [label $frameLatt.l4 -text a -font symbol]
2365	set l5 [label $frameLatt.l5 -text b -font symbol]
2366	set l6 [label $frameLatt.l6 -text g -font symbol]
2367	grid $e1 -column 1 -row 0 -padx 5
2368	grid $e2 -column 3 -row 0 -padx 5
2369	grid $e3 -column 5 -row 0 -padx 5
2370	grid $e4 -column 1 -row 1 -padx 5
2371	grid $e5 -column 3 -row 1 -padx 5
2372	grid $e6 -column 5 -row 1 -padx 5
2373	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2374	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2375	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2376	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2377	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2378	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2379
2380	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2381	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2382	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2383	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2384	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2385	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2386	if [file executable $expgui(exptool)] {
2387	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2388	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2389	grid columnconfig $frameLatt 0 -weight 1
2390	}
2391	#-------------- Begin Atom Coordinates Box ---------------------------------
2392	grid [listbox $fbig.title -height 1 -relief flat] \
2393	-row 0 -column 0 -sticky ew
2394	set expgui(atomtitle) $fbig.title
2395	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2396	grid [listbox $fbig.lbox -height 10 \
2397	-xscrollcommand " $fbig.bscr set"\
2398	-yscrollcommand " $fbig.rscr set"\
2399	] -row 1 -column 0 -sticky news
2400	set expgui(atomlistbox) $fbig.lbox
2401	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2402	grid [scrollbar $fbig.bscr -orient horizontal \
2403	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2404	] -row 2 -column 0 -sticky ew
2405	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2406	] -row 1 -column 1 -sticky ns
2407	# give extra space to the atoms box
2408	grid columnconfigure $fbig 0 -weight 1
2409	grid rowconfigure $fbig 1 -weight 1
2410
2411	proc move2boxes {boxlist args} {
2412	foreach listbox $boxlist {
2413	eval $listbox xview $args
2414	}
2415	}
2416	# BIND mouse in editbox
2417	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2418	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2419
2420	#-------------- End Atoms Section ---------------------------------
2421
2422	# --------------------------- Begin Edit Box -------------------------------
2423	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2424	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2425	if [file executable $expgui(exptool)] {
2426	button $frame3.newa -text "Add New Atom" \
2427	-command {MakeAddAtomsBox $expgui(curPhase)}
2428	grid $frame3.newa -column 11 -row 0
2429	}
2430
2431	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2432	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2433
2434	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2435	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2436	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2437	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2438	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2439	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2440
2441	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2442	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2443
2444	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2445	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2446	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2447	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2448	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2449	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2450	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2451	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2452	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2453
2454	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2455	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2456
2457	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2458	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2459
2460	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2461	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2462	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2463	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2464	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2465	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2466	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2467	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2468	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2469	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2470
2471	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2472	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2473	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2474	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2475	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2476	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2477	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2478	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2479
2480
2481	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2482	grid $f3f31 -column 0 -row 7 -columnspan 12
2483	set expgui(anisolabels) {}
2484	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2485	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2486	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2487	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2488	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2489	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2490
2491	set expgui(anisoentry) {}
2492	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2493	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2494	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2495	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2496	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2497	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2498
2499	set col 0
2500	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2501	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2502	incr col
2503	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2504	incr col
2505	}
2506	# --------------------------- End Edit Box --------------------------------
2507
2508	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2509	#-----------------------------------------------------------------------------
2510	#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
2511	grid [frame $expgui(histFrame).hs] \
2512	-column 0 -row 0 -rowspan 10 -sticky nsew
2513	grid columnconfigure $expgui(histFrame) 0 -weight 1
2514	grid rowconfigure $expgui(histFrame) 1 -weight 1
2515	grid rowconfigure $expgui(histFrame) 2 -weight 1
2516	grid rowconfigure $expgui(histFrame) 3 -weight 1
2517	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2518	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2519	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2520	-font $expgui(histfont) \
2521	-xscrollcommand "$expgui(histFrame).hs.x set" \
2522	-yscrollcommand "$expgui(histFrame).hs.y set" \
2523	] -row 1 -column 0 -sticky news
2524	lappend expgui(HistSelectList) $expgui(histFrame).hs
2525	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2526	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2527	] -row 2 -column 0 -sticky ew
2528	grid [scrollbar $expgui(histFrame).hs.y \
2529	-command "$expgui(histFrame).hs.lbox yview"] \
2530	-row 1 -column 1 -sticky ns
2531	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2532	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2533	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2534	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2535	DisplayHistogram
2536	}
2537	bind $expgui(histFrame).hs.lbox <Button-3> {
2538	if $expgui(globalmode) {
2539	$expgui(histFrame).hs.lbox selection set 0 end
2540	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2541	DisplayHistogram
2542	}
2543	}
2544
2545
2546	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2547	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2548	if $expgui(havetix) {
2549	foreach item {backBox diffBox} num {2 3} \
2550	title {Background "Diffractometer Constants"} {
2551	tixLabelFrame $expgui(histFrame).$item \
2552	-borderwidth 4 -width 600 -height 100 -label $title
2553	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2554	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2555	}
2556	} else {
2557	foreach item {backBox diffBox} num {1 2} \
2558	title {Background "Diffractometer Constants"} {
2559	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2560	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2561	set expgui($item) $expgui(histFrame).$item
2562	grid [label $expgui(histFrame).$item.title -text $title] \
2563	-row 0 -column 0 -columnspan 10 -sticky nw
2564	}
2565	}
2566	if [file executable $expgui(exptool)] {
2567	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2568	grid $expgui(histFrame).newh -column 1 -row 6
2569	}
2570
2571	# BACKGROUND information.
2572	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2573	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2574	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2575	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2576	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2577	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2578	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2579	-command editbackground] \
2580	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2581	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2582	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2583	-row 2 -column 1 -sticky news -padx 4 -pady 3
2584	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2585	-variable entryvar(bref) ] \
2586	-row 2 -column 2 -sticky news -padx 4 -pady 3
2587	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2588	-row 2 -column 3 -sticky w -padx 2 -pady 3
2589	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2590	grid $expgui(backBox).f1.om \
2591	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2592
2593	# DIFFRACTOMETER CONSTANTS SECTION
2594
2595	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2596	###############################################################################
2597	#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
2598
2599	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2600	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2601	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2602	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2603	-font $expgui(histfont) \
2604	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2605	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2606	] -row 1 -column 0 -sticky news
2607	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2608	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2609	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2610	] -row 2 -column 0 -sticky ew
2611	grid [scrollbar $expgui(fracFrame).hs.y \
2612	-command "$expgui(fracFrame).hs.lbox yview"] \
2613	-row 1 -column 1 -sticky ns
2614	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2615	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2616	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2617	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2618	DisplayFrac
2619	}
2620	bind $expgui(fracFrame).hs.lbox <Button-3> {
2621	if $expgui(globalmode) {
2622	$expgui(fracFrame).hs.lbox selection set 0 end
2623	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2624	DisplayFrac
2625	}
2626	}
2627	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2628	# Create a large canvas area containing a frame for each phase in the data set.
2629	# The canvas and vertical scrollbar are inside a frame called f1
2630	if $expgui(havetix) {
2631	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2632	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2633	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2634	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2635	} else {
2636	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2637	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2638	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2639	}
2640	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2641	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2642	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2643	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2644	button $expgui(scaleBox).but1 -text "Set Globally" \
2645	-command "editglobalparm histinfo scale {Scale Factor}"
2646
2647	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2648	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2649	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2650	-row 1 -column 3 -sticky news -padx 4 -pady 3
2651	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2652	-row 1 -column 4 -sticky w -padx 2 -pady 3
2653	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2654	grid $expgui(scaleBox).om \
2655	-row 1 -column 5 -sticky news -padx 4 -pady 3
2656	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2657
2658	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2659	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2660	-sticky news -row 1 -column 0
2661	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2662	-sticky ns -row 1 -column 1
2663
2664	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2665	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2666
2667	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2668	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2669	frame $expgui(FracBox).f -bd 0
2670	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2671
2672	# the rest of the page is created in DisplayFrac
2673	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2674	###############################################################################
2675	# 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
2676	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2677	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2678	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2679	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2680	-font $expgui(histfont) \
2681	-xscrollcommand "$expgui(profFrame).hs.x set" \
2682	-yscrollcommand "$expgui(profFrame).hs.y set" \
2683	] -row 1 -column 0 -sticky news
2684	lappend expgui(HistSelectList) $expgui(profFrame).hs
2685	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2686	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2687	] -row 2 -column 0 -sticky ew
2688	grid [scrollbar $expgui(profFrame).hs.y \
2689	-command "$expgui(profFrame).hs.lbox yview"] \
2690	-row 1 -column 1 -sticky ns
2691	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2692	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2693	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2694	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2695	DisplayProfile
2696	}
2697	bind $expgui(profFrame).hs.lbox <Button-3> {
2698	if $expgui(globalmode) {
2699	$expgui(profFrame).hs.lbox selection set 0 end
2700	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2701	DisplayProfile
2702	}
2703	}
2704
2705	# Create a large canvas area containing a frame for each phase in the data set.
2706	# The canvas and vertical scrollbar are inside a frame called f1
2707	pack [frame $expgui(profFrame).f1] -fill both -expand true
2708	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2709	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2710	-sticky news -row 0 -column 0
2711	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2712	-sticky ns -row 0 -column 1
2713
2714	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2715	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2716
2717	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2718	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2719	frame $expgui(ProfileBox).f -bd 0
2720	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2721
2722	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2723	##############################################################################
2724	# 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
2725	array set printopts {
2726	0 "Print the reciprocal metric tensor changes"
2727	1 "Print the correlation matrix"
2728	2 "Print the Least-Squares matrices and vectors"
2729	4 "Print the linear constraint matrices"
2730	5 "Print the applied shifts and shift factors"
2731	6 "Print the reciprocal metric tensor Var-Covar terms"
2732	7 "Print all parameters for each cycle"
2733	8 "Print summary shift/esd data after last cycle"
2734	9 "Print zero/unit pole figure constraint terms"
2735	}
2736	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2737	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2738	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2739	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2740	-font $expgui(histfont) \
2741	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2742	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2743	] -row 1 -column 0 -sticky news
2744	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2745	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2746	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2747	] -row 2 -column 0 -sticky ew
2748	grid [scrollbar $expgui(lsFrame).hs.y \
2749	-command "$expgui(lsFrame).hs.lbox yview"] \
2750	-row 1 -column 1 -sticky ns
2751	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2752	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2753	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2754	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2755	SetupExtractHist
2756	}
2757	bind $expgui(lsFrame).hs.lbox <Button-3> {
2758	if $expgui(globalmode) {
2759	$expgui(lsFrame).hs.lbox selection set 0 end
2760	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2761	SetupExtractHist
2762	}
2763	}
2764
2765	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2766	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2767	set row 0
2768	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2769	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2770	-textvariable expgui(last_History)] \
2771	-row $row -column 1 -columnspan 5 -sticky w
2772	incr row
2773	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2774	grid [entry $expgui(lsFrame).f1.tit2 \
2775	-textvariable entryvar(title) -width 48] \
2776	-row $row -column 1 -columnspan 5 -sticky w
2777	set entrycmd(title) "expinfo title"
2778
2779	incr row
2780	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2781	-row $row -column 0 -columnspan 2 -pady 3
2782	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2783	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2784	-textvariable entryvar(cycles)] -row 0 -column 1
2785	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2786	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2787	] -row $row -column 2
2788	menu $expgui(lsFrame).f1.lprint.menu
2789	foreach num [lsort [array names printopts]] {
2790	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2791	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2792	-variable entryvar(printopt$num)
2793	}
2794	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2795	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2796	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2797	incr row
2798	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2799	foreach num {1 2 3 4 5 6 7 8 9} {
2800	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2801	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2802	-command "HistExtractSet $num" \
2803	-variable expgui(Fextract$num) -value 0] \
2804	-row 2 -column $num
2805	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2806	-command "HistExtractSet $num" \
2807	-variable expgui(Fextract$num) -value 1] \
2808	-row 3 -column $num
2809	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2810	# -command "HistExtractSet $num" \
2811	# -variable expgui(Fextract$num) -value 2] \
2812	# -row 4 -column $num
2813	}
2814	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2815	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2816	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2817
2818	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2819	-column 0 -columnspan 11 -row 0
2820	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2821	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2822	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2823	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2824	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2825	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2826	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2827	#-------------------------------------------------------------------------
2828	#-------------------------------------------------------------------------
2829	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2830
2831	#---- file menu button
2832	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2833	menu $expgui(fm).file.menu
2834	if $expgui(debug) {
2835	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2836	-command "reset"
2837	}
2838	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2839	-command readnewexp
2840	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2841	-command savearchiveexp
2842	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2843	-command "SaveAsFile"
2844	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2845	-command {rereadexp $expgui(expfile)}
2846	#$expgui(fm).file.menu add command -label "Close" -underline 0
2847
2848	#---- help menu button
2849	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2850	menu $expgui(fm).help.menu
2851	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2852	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2853
2854	#---- options menu button
2855	menubutton $expgui(fm).option -text Options -underline 0 \
2856	-menu $expgui(fm).option.menu
2857	menu $expgui(fm).option.menu
2858
2859	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2860	-variable expgui(archive) -underline 0
2861
2862	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2863	-label "Sort atoms by"
2864
2865	set expgui(asorttype) number
2866	menu $expgui(fm).option.menu.asort
2867	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2868	-label number -value number -variable expgui(asorttype)
2869	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2870	-label type -value type -variable expgui(asorttype)
2871	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2872	-label x -value x -variable expgui(asorttype)
2873	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2874	-label y -value y -variable expgui(asorttype)
2875	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2876	-label z -value z -variable expgui(asorttype)
2877
2878
2879	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2880	-label "Sort histograms by"
2881
2882	set expgui(hsorttype) number
2883	menu $expgui(fm).option.menu.hsort
2884	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2885	-label number -value number -variable expgui(hsorttype)
2886	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2887	-label "Histogram type" -value type -variable expgui(hsorttype)
2888	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2889	-label "Bank #" -value bank -variable expgui(hsorttype)
2890	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2891	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2892
2893	#---- Global mode menu button
2894	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2895	-label "Multiple hist. selection"
2896	menu $expgui(fm).option.menu.editmode
2897	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2898	-variable expgui(globalmode) -underline 0 -value 0\
2899	-command sethistlist
2900	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2901	-variable expgui(globalmode) -underline 0 -value 6 \
2902	-command sethistlist
2903	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2904	-variable expgui(globalmode) -underline 0 -value 1 \
2905	-command sethistlist
2906	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2907	-variable expgui(globalmode) -underline 0 -value 2 \
2908	-command sethistlist
2909	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2910	-variable expgui(globalmode) -underline 0 -value 3 \
2911	-command sethistlist
2912	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2913	-variable expgui(globalmode) -underline 0 -value 4 \
2914	-command sethistlist
2915	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2916	-variable expgui(globalmode) -underline 0 -value 5 \
2917	-command sethistlist
2918	$expgui(fm).option.menu.editmode add separator
2919	$expgui(fm).option.menu.editmode add checkbutton \
2920	-label "Group phases together" \
2921	-variable expgui(globalphasemode) \
2922	-command sethistlist
2923
2924	set expgui(globalmode) 0
2925	set expgui(globalphasemode) 1
2926
2927	if {$tcl_platform(platform) != "windows"} {
2928	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2929	-variable env(GSASBACKSPACE)
2930	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
2931	-variable expgui(autoexpload)
2932	}
2933
2934	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2935	-command "SaveOptions"
2936
2937	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2938
2939	foreach menu $expgui(menunames) {
2940	set m [string tolower $menu]
2941	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2942	-menu $expgui(fm).$m.menu] -side left
2943	menu $expgui(fm).$m.menu
2944	}
2945	pack $expgui(fm).help -side right -in $expgui(fm)
2946
2947	# add the commands in expgui_menulist
2948	foreach menu [array names expgui_menulist ] {
2949	foreach cmd $expgui_menulist($menu) {
2950	set action {}
2951	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2952	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2953	if {$action != "" && $action != "-"} {
2954	eval $expgui(fm).$menu.menu add command \
2955	-label $cmd -command [list [subst $action]]
2956	}
2957	}
2958	}
2959	# setup command help
2960	foreach cmd [array names expgui_cmdlist] {
2961	set help {}
2962	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2963	if {$help == ""} {
2964	if {$expgui(debug)} {puts "no help for $cmd"}
2965	} else {
2966	# remove
2967	regsub -all \x09 $help " " help
2968	# preserve blank lines
2969	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2970	regsub -all \x0A $help " " help
2971	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2972	regsub -all " +" $help " " help
2973	set expgui_helplist($cmd) [string trim $help]
2974	}
2975	}
2976	# set up button bar
2977	foreach cmd $expgui(buttonlist) {
2978	set action {}
2979	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2980	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2981	if {$action != ""} {
2982	pack [eval button .bar.$cmd -bg beige \
2983	-text $cmd -command [list [subst $action]]] -side left
2984	}
2985	}
2986
2987	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2988	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2989
2990
2991	# handle indirect exits
2992	wm protocol . WM_DELETE_WINDOW catchQuit
2993	bind . <Control-c> catchQuit
2994
2995	set expgui(curPhase) ""
2996	set expgui(pagenow) ""
2997	set expgui(curhist) {}
2998	set expgui(selectedatomlist) {}
2999
3000	loadexp $expgui(expfile)
3001
3002	# select the 1st phase
3003	SelectOnePhase [lindex $expmap(phaselist) 0]
3004	# select the first histogram in the list by default (if there are any)
3005	if {[llength $expmap(histlistboxcontents)] > 0} {
3006	set expgui(curhist) 0
3007	} else {
3008	set expgui(curhist) {}
3009	}
3010
3011	# execute any local commands for final initialization
3012	eval $expgui(initstring)
3013
3014	# resize the notebook to fit all the tabs and the largest page
3015	if {!$expgui(havetix)} {
3016	Notebook:resize .n
3017	}
3018	RaisePage lsFrame
3019	if {[CountHistory] > 100} {
3020	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3021	}

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