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source: trunk/expgui @ 118

Last change on this file since 118 was 118, checked in by toby, 14 years ago
# on 1999/11/16 15:59:22, toby did: Switch over to use of pure Tk notebook widget when Tix is not present define expgui(initstring) for user-defined initializations
Property rcs:author set to `toby` Property rcs:date set to `1999/11/16 15:59:22` Property rcs:lines set to `+39 -46` Property rcs:rev set to `1.21` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 109.4 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 118 2009-12-04 23:00:42Z toby $
3	set expgui(Revision) {$Revision: 118 $ $Date: 2009-12-04 23:00:42 +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	}
402	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
403	close $fp
404	}
405
406	proc About { } {
407	global expgui expmap
408	tk_dialog .about {About...} \
409	"EXPGUI\n\
410	Jonathan Wasserman and Brian Toby\n\
411	NIST Center for Neutron Research\n\n\
412	1998, Not subject to copyright\n\n\
413	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
414	Generalized Structure Analysis System (GSAS)\n\
415	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
416	" \
417	info 0 OK
418	}
419
420	# wait until idle
421	proc afterawhile {} {
422	# cancel any other instances of this loop
423	after cancel afterawhile
424	after cancel whenidle
425	after cancel whenidle
426	after idle whenidle
427	}
428
429	proc whenidle {} {
430	global expgui
431	if $expgui(titleunchanged) {
432	if {$expgui(changed) != 0} {
433	wm title . "$expgui(expfile) (modified)"
434	set expgui(titleunchanged) 0
435	}
436	}
437	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast) && \
438	$expgui(expModifiedLast) != 0} {
439	if {$expgui(changed) == 0} {
440	set ans [tk_dialog .expFileErrorMsg "Reload?" \
441	"File [file tail $expgui(expfile)] has been modified by another program. \
442	Do you want to load the newer version or lose the modifications \
443	by editing the current version?" \
444	warning 0 "Load new" "Continue editing"]
445	} else {
446	set ans [tk_dialog .expFileErrorMsg "Reload?" \
447	"File [file tail $expgui(expfile)] has been modified by another program \
448	and you have made $expgui(changed) changes to this version. \
449	Do you want to load the newer version or lose the modifications \
450	by continuing to edit the current version?" \
451	warning 0 "Load new" "Continue editing" "Save edited version"]
452	}
453	if {$ans == 0} {
454	loadexp $expgui(expfile)
455	} elseif {$ans == 1} {
456	# reset the time to the next version
457	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
458	} elseif {$ans == 2} {
459	savearchiveexp
460	}
461	}
462	after 2000 afterawhile
463	}
464	# -------- called to confirm before exiting
465	proc catchQuit {} {
466	if {[confirmBeforeSave] == "Continue"} {
467	destroy .
468	}
469	}
470	# save the .EXP file before exiting?
471	proc confirmBeforeSave {} {
472	global expgui
473	if !$expgui(changed) {
474	return "Continue"
475	}
476	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
477	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
478	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
479	switch $decision {
480	0 { savearchiveexp; return "Continue" }
481	1 { return "Continue" }
482	2 { return "Cancel" }
483	}
484	}
485
486	proc archiveexp {} {
487	global expgui tcl_platform
488	catch {
489	set expnam [file rootname $expgui(expfile)]
490	if {$tcl_platform(platform) == "windows"} {
491	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
492	# archive w/o pkzip
493	set files [glob -nocomplain ${expnam}!*.EXP]
494	if {$files == ""} {
495	set num -1
496	} else {
497	set file [lindex [lsort -decreasing $files] 0]
498	regexp {!0*([0-9]+)\.EXP} [string toupper $file] a num
499	}
500	set file $expnam![format "%3.3d" [incr num]].EXP
501	file copy $expnam.EXP $file
502	set fp [open $expnam.lst a]
503	puts $fp "\n--------------------------------------------------------------"
504	puts $fp "Archiving $expnam.EXP as $file"
505	puts $fp "--------------------------------------------------------------\n"
506	close $fp
507	} else {
508	# archive with PKZIP
509	# need to limit expnam to 8 characters
510	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
511	# PKZIP can't handle long dir names either
512	cd [set dir [file dirname $expnam]]
513	set num -1
514	# get the versions from the listing
515	if [file exists $sexp.zip] {
516	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
517	while {[gets $fp line] >= 0} {
518	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
519	catch {if {$n > $num} {set num $n}}
520	}
521	close $fp
522	}
523	incr num
524	set file $sexp.[format "%3.3d" $num]
525	file copy -force $expnam.EXP $file
526	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
527	set fp [open $expnam.lst a]
528	puts $fp "\n--------------------------------------------------------------"
529	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
530	puts $fp "--------------------------------------------------------------\n"
531	close $fp
532	}
533	} else {
534	set files [glob -nocomplain $expnam.EXP.*]
535	if {$files == ""} {
536	set file $expnam.EXP.000
537	} else {
538	set file [lindex [lsort -decreasing $files] 0]
539	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
540	incr number
541	set file $expnam.EXP.[format "%3.3d" $number]
542	}
543	exec cp $expgui(expfile) $file
544	if [catch {exec gzip $file}] {
545	exec echo "\n----------------------------------------------" >> $expnam.LST
546	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
547	exec echo "----------------------------------------------\n" >> $expnam.LST
548	} else {
549	exec echo "\n----------------------------------------------" >> $expnam.LST
550	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
551	exec echo "----------------------------------------------\n" >> $expnam.LST
552	}
553	}
554	} errmsg
555	if {$errmsg != ""} {
556	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
557	}
558	}
559
560	# save and optionally archive the expfile
561	proc savearchiveexp {} {
562	global expgui expmap
563	if !$expgui(changed) return
564	if $expgui(archive) archiveexp
565	# add a history record
566	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
567	# now save the file
568	expwrite $expgui(expfile)
569	set expgui(changed) 0
570	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
571	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
572	wm title . $expgui(expfile)
573	set expgui(titleunchanged) 1
574	}
575
576	# set the number of phases on the phase page
577	proc setphases {} {
578	global expgui expmap
579	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
580	foreach num $expmap(phaselist) {
581	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
582	-command "SelectOnePhase $num"] -side left
583	}
584	}
585
586	# Procedure to respond to changes the phase.
587	# This loads the "phases" widgets with data corresponding to the selected phase.
588	proc SelectOnePhase {num} {
589	global entryvar entrycmd expmap expgui
590	foreach n $expmap(phaselist) {
591	if {$n == $num} {
592	$expgui(phaseFrame).top.ps.$num config -relief sunken
593	} else {
594	$expgui(phaseFrame).top.ps.$n config -relief raised
595	}
596	}
597	set crsPhase $num
598	# no phase is selected
599	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
600	# disable traces on entryvar
601	set entrycmd(trace) 0
602	set entrycmd(phasename) ""
603	set entryvar(phasename) ""
604	foreach ent {a b c alpha beta gamma cellref celldamp} {
605	set entrycmd($ent) ""
606	set entryvar($ent) ""
607	}
608	set expgui(curPhase) {}
609	# enable traces on entryvar
610	set entrycmd(trace) 1
611	$expgui(EditingAtoms) config -text ""
612	DisplayAtom 0 0
613	DisplayU 0 0
614	DisplayRefFlags 0 0
615	$expgui(atomlistbox) delete 0 end
616	return
617	}
618
619	set expgui(curPhase) $crsPhase
620	# we have a phase
621
622	# disable traces on entryvar for right now
623	set entrycmd(trace) 0
624
625	##########################################################
626	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
627	##########################################################
628	# phase title
629	set entrycmd(phasename) "phaseinfo $crsPhase name"
630	set entryvar(phasename) [phaseinfo $crsPhase name]
631	# cell parameters & flags
632	foreach ent {a b c alpha beta gamma cellref celldamp} {
633	set entrycmd($ent) "phaseinfo $crsPhase $ent"
634	set entryvar($ent) [phaseinfo $crsPhase $ent]
635	}
636
637	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
638	# initialize to diasbled
639	DisplayAtom 0 0
640	DisplayU 0 0
641	DisplayRefFlags 0 0
642	$expgui(EditingAtoms) config -text ""
643
644	DisplayAllAtoms
645
646	# enable traces on entryvar now
647	set entrycmd(trace) 1
648	}
649
650	set expgui(noreenterDisplayAllAtoms) 0
651	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
652	proc DisplayAllAtoms {"mode reset"} {
653	global entryvar entrycmd expmap expgui
654	# if it does not show, dont bother
655	if {$expgui(pagenow) != "phaseFrame"} return
656	if {$expgui(curPhase) == ""} return
657	if $expgui(noreenterDisplayAllAtoms) return
658
659	set expgui(noreenterDisplayAllAtoms) 1
660	if {$mode != "reset"} {
661	# save the scrolled position
662	set pos [lindex [$expgui(atomlistbox) yview] 0]
663	} else {
664	# this is a reset -- clear the selected atoms list
665	set expgui(selectedatomlist) {}
666	}
667	$expgui(atomlistbox) delete 0 end
668	# loop over atoms
669	set maxline I
670	set phase $expgui(curPhase)
671	set atomlist {}
672	if {$expgui(asorttype) == "type"} {
673	# sort on atom type
674	foreach atom $expmap(atomlist_$phase) {
675	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
676	}
677	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
678	} elseif {$expgui(asorttype) == "number"} {
679	# sort on atom number
680	foreach atom $expmap(atomlist_$phase) {
681	lappend atomlist "$atom $atom $phase"
682	}
683	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
684	} elseif {$expgui(asorttype) == "x"} {
685	# sort on x
686	foreach atom $expmap(atomlist_$phase) {
687	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
688	}
689	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
690	} elseif {$expgui(asorttype) == "y"} {
691	# sort on y
692	foreach atom $expmap(atomlist_$phase) {
693	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
694	}
695	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
696	} elseif {$expgui(asorttype) == "z"} {
697	# sort on z
698	foreach atom $expmap(atomlist_$phase) {
699	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
700	}
701	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
702	} else {
703	error "Bad expgui(asorttype = $expgui(asorttype)"
704	}
705
706	foreach tuple $expmap(atomlistboxcontents) {
707	set atom [lindex $tuple 0]
708	set phase [lindex $tuple 2]
709	set refflag {}
710	foreach type {x u f} {
711	if {[atominfo $phase $atom ${type}ref]} {
712	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
713	} else {
714	append refflag " [atominfo $phase $atom ${type}damp] "
715	}
716	}
717	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
718	$atom \
719	[atominfo $phase $atom label] \
720	[atominfo $phase $atom type] \
721	$refflag \
722	[atominfo $phase $atom x] \
723	[atominfo $phase $atom y] \
724	[atominfo $phase $atom z] \
725	[atominfo $phase $atom frac]
726	]
727	# add temperature factors (iso/anoiso)
728	if {[atominfo $phase $atom temptype] == "A"} {
729	set maxline A
730	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
731	[atominfo $phase $atom U11] \
732	[atominfo $phase $atom U22] \
733	[atominfo $phase $atom U33] \
734	[atominfo $phase $atom U12] \
735	[atominfo $phase $atom U23] \
736	[atominfo $phase $atom U13]
737	]
738	} else {
739	append line [format " %9.5f" \
740	[atominfo $phase $atom Uiso]
741	]
742	}
743	$expgui(atomlistbox) insert end $line
744	}
745	$expgui(atomtitle) delete 0 end
746	if {$maxline == "A"} {
747	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
748	" name " "type " "ref/damp " "fractional coordinates " \
749	" Occupancy" \
750	"Uiso/Uij "]
751	} else {
752	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
753	" name " "type " "ref/damp " "fractional coordinates " \
754	" Occupancy" \
755	"Uiso"]
756	}
757	if {$mode != "reset"} {
758	# restore the selected items
759	foreach i $expgui(selectedatomlist) {
760	$expgui(atomlistbox) selection set $i
761	}
762	# restore the last scrolled position
763	$expgui(atomlistbox) yview moveto $pos
764	}
765	set expgui(noreenterDisplayAllAtoms) 0
766	}
767
768	# Procedure to select all atoms in response to a right-click
769	proc SelectAllAtoms {} {
770	global expgui
771	$expgui(atomlistbox) selection set 0 end
772	# call editRecord in case trace was called before the selection was made
773	editRecord
774	}
775
776	# Procedure to respond to left mouse release in the atoms Pane
777	proc editRecord { args } {
778	global entrycmd expgui
779	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
780	# disable traces on entryvar for right now
781	set entrycmd(trace) 0
782
783	if {[llength $expgui(selectedatomlist)] == 0} {
784	puts "How did this happen: [$expgui(atomlistbox) curselection]"
785	} elseif {[llength $expgui(selectedatomlist)] == 1} {
786	editOneRecord $expgui(selectedatomlist)
787	} else {
788	editMultipleRecords $expgui(selectedatomlist)
789	}
790	# reenable traces on entryvar
791	set entrycmd(trace) 1
792	# repaint the atoms box in case anything was changed
793	# DisplayAllAtoms noreset
794	}
795
796	proc editOneRecord { AtomIndex } {
797	global expmap expgui
798	# get atom number & phase
799	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
800	set atomnum [lindex $tuple 0]
801	set p [lindex $tuple 2]
802	DisplayU $atomnum $p
803	DisplayAtom $atomnum $p
804	DisplayRefFlags $atomnum $p
805	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
806	}
807
808	# this will not work for a multi-phase list of atoms (yet)
809	proc editMultipleRecords { AtomIndexList } {
810	global expmap expgui
811	set numberList {}
812	# current phase
813	set p $expgui(curPhase)
814	foreach AtomIndex $AtomIndexList {
815	# get atom number & phase
816	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
817	lappend numberList [lindex $tuple 0]
818	# set p [lindex $tuple 2]
819	}
820	# this needs to track by phase
821	$expgui(EditingAtoms) config -text \
822	"Set refinement options: atoms [CompressList $numberList]"
823	DisplayU 0 0
824	DisplayAtom 0 0
825	# this needs to track by phase
826	DisplayRefFlags $numberList $p
827	}
828
829	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
830	# becomes "1-4,6,7,13-15,19"
831	proc CompressList {numberList} {
832	# format the number list to save space
833	set lastnum -99
834	set flist {}
835	set count 0
836	foreach num [lsort -integer $numberList] {
837	set next [expr $lastnum+1]
838	if {$num != $next} {
839	if {$count == 0 && $flist != ""} {
840	append flist ",$num"
841	} elseif {$count == 1 && $flist != ""} {
842	append flist ",$lastnum,$num"
843	} elseif {$flist != ""} {
844	append flist "-$lastnum,$num"
845	} else {
846	append flist "$num"
847	}
848	set lastnum $num
849	set count 0
850	} else {
851	incr count
852	incr lastnum
853	}
854	}
855	if {$count == 1 && $flist != ""} {
856	append flist ",$lastnum"
857	} elseif {$flist != "" && $count > 1} {
858	append flist "-$lastnum"
859	}
860	return $flist
861	}
862
863	# Procedure to display Isotropic or Anisotropic temperature factors
864	# Changes the display to one entry widget for Isotropic motion OR
865	# 6 entry widgets for Anisotropic motion in Frame3.
866	# or disables the widet entirly if atom = 0
867	proc DisplayU { atomnum p} {
868	global expgui entryvar entrycmd
869	if {$atomnum == 0} {
870	set iOrA disable
871	} else {
872	set iOrA [atominfo $p $atomnum temptype]
873	}
874
875	set firstbox [lindex $expgui(anisolabels) 0]
876	if { $iOrA == "A" } {
877	$firstbox config -text "U11 "
878	foreach item $expgui(anisolabels) {
879	$item config -fg black
880	}
881	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
882	set entrycmd($var) "atominfo $p $atomnum $var"
883	set entryvar($var) [eval $entrycmd($var)]
884	$item config -fg black -state normal -bg white
885	}
886	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
887	foreach item $expgui(anisolabels) {
888	# $item config -fg grey
889	$item config -fg beige
890	}
891	foreach item [lrange $expgui(anisoentry) 1 end] \
892	var {U22 U33 U12 U13 U23} {
893	set entrycmd($var) ""
894	set entryvar($var) ""
895	$item config -fg beige -bg beige -state disabled
896	}
897	if { $iOrA == "disable"} {
898	set entrycmd($var) ""
899	set entryvar($var) ""
900	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
901	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
902	} else {
903	set entrycmd(U11) "atominfo $p $atomnum Uiso"
904	set entryvar(U11) [eval $entrycmd(U11)]
905	$firstbox config -text Uiso -fg black
906	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
907	}
908	}
909	}
910
911	# need to think about multiple phases
912
913	# Procedure to display refinement flags
914	proc DisplayRefFlags { atomnum p} {
915	global expgui entryvar entrycmd
916	if {$atomnum == 0} {
917	foreach label $expgui(atomreflbl) {
918	$label config -fg beige
919	}
920	foreach entry $expgui(atomref) {
921	$entry config -state disabled -fg beige -bg beige
922	}
923	return
924	}
925	foreach label $expgui(atomreflbl) {
926	$label config -fg black
927	}
928	foreach entry $expgui(atomref) {
929	$entry config -state normal -fg black -bg beige
930	}
931	foreach var {xref uref fref xdamp udamp fdamp} {
932	set entrycmd($var) "atominfo $p [list $atomnum] $var"
933	set entryvar($var) [eval $entrycmd($var)]
934	}
935	}
936
937	# Procedure to display an atom in the atom edit boxes
938	proc DisplayAtom { atomnum p} {
939	global expgui entryvar entrycmd
940	if {$atomnum == 0} {
941	foreach label $expgui(atomlabels) {
942	$label config -fg beige
943	}
944	foreach entry $expgui(atomentry) {
945	$entry config -state disabled -fg beige -bg beige
946	}
947	return
948	}
949	foreach label $expgui(atomlabels) {
950	$label config -fg black
951	}
952	foreach entry $expgui(atomentry) {
953	$entry config -state normal -fg black -bg white
954	}
955	foreach var {x y z label frac } {
956	set entrycmd($var) "atominfo $p $atomnum $var"
957	set entryvar($var) [eval $entrycmd($var)]
958	}
959	}
960
961	# update the histogram list
962	# to do: show histogram ref flags?
963	proc sethistlist {} {
964	global expgui expmap
965	foreach lbox $expgui(HistSelectList) {
966	$lbox.title delete 0 end
967	$lbox.lbox delete 0 end
968	if {$expgui(globalmode) != 0} {
969	$lbox.lbox config -selectmode extended
970	} else {
971	$lbox.lbox config -selectmode browse
972	}
973	}
974	# disable the unallowed pages in all mode
975	if {$expgui(globalmode) == 6} {
976	foreach pair $expgui(GlobalModeAllDisable) {
977	if {$expgui(pagenow) == [lindex $pair 0]} {
978	RaisePage lsFrame
979	}
980	eval [lindex $pair 1] -state disabled
981	}
982	} else {
983	foreach pair $expgui(GlobalModeAllDisable) {
984	eval [lindex $pair 1] -state normal
985	}
986	}
987	set histlist {}
988	if {$expgui(hsorttype) == "type"} {
989	# sort on histogram type
990	foreach h [lsort -integer -increasing $expmap(powderlist)] {
991	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
992	}
993	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
994	} elseif {$expgui(hsorttype) == "number"} {
995	# sort on histogram number
996	foreach h [lsort -integer -increasing $expmap(powderlist)] {
997	lappend histlist "$h $h"
998	}
999	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1000	} elseif {$expgui(hsorttype) == "bank"} {
1001	# sort on original bank number
1002	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1003	lappend histlist "$h [histinfo $h bank]"
1004	}
1005	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1006	} elseif {$expgui(hsorttype) == "angle"} {
1007	# sort on wavelength (CW) or angle (E disp.)
1008	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1009	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1010	set det [format %8.2f [histinfo $h tofangle]]
1011	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1012	set det [format %8.5f [histinfo $h lam1]]
1013	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1014	set det [format %8.2f [histinfo $h lam1]]
1015	} else {
1016	set det {}
1017	}
1018	lappend histlist "$h $det"
1019	}
1020	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1021	}
1022
1023	# title field needs to match longest title
1024	foreach lbox $expgui(HistSelectList) {
1025	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1026	"h#" \
1027	type \
1028	bank \
1029	"ang/wave" \
1030	" title" \
1031	]
1032	}
1033	foreach tuple $expmap(histlistboxcontents) {
1034	set h [lindex $tuple 0]
1035
1036	if {$expgui(globalmode) == 1} {
1037	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1038	} elseif {$expgui(globalmode) == 2} {
1039	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1040	} elseif {$expgui(globalmode) == 3} {
1041	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1042	[histinfo $h lam2] == 0.0} continue
1043	} elseif {$expgui(globalmode) == 4} {
1044	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1045	[histinfo $h lam2] != 0.0} continue
1046	} elseif {$expgui(globalmode) == 5} {
1047	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1048	}
1049
1050	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1051	set det [format %8.2f [histinfo $h tofangle]]
1052	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1053	set det [format %8.5f [histinfo $h lam1]]
1054	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1055	set det [format %8.2f [histinfo $h lam1]]
1056	} else {
1057	set det {}
1058	}
1059	foreach lbox $expgui(HistSelectList) {
1060	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1061	$h \
1062	[string range $expmap(htype_$h) 1 2] \
1063	[histinfo $h bank] \
1064	$det \
1065	[string range [histinfo $h title] 0 66] \
1066	]
1067	}
1068	}
1069	foreach set $expgui(frameactionlist) {
1070	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1071	}
1072	}
1073
1074	#-----------------------------------------------------------------------
1075	# ----------- draw Histogram page
1076	#-----------------------------------------------------------------------
1077	proc DisplayHistogram {} {
1078	global expgui entrycmd entryvar expmap
1079
1080	# trap if more than one histogram is selected unless global mode
1081	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1082	set expgui(curhist) [lindex $expgui(curhist) 0]
1083	}
1084
1085	# display the selected histograms
1086	$expgui(histFrame).hs.lbox selection clear 0 end
1087	foreach h $expgui(curhist) {
1088	$expgui(histFrame).hs.lbox selection set $h
1089	}
1090
1091	# disable traces on entryvar for right now
1092	set entrycmd(trace) 0
1093
1094	# get histogram list
1095	set histlist {}
1096	foreach item $expgui(curhist) {
1097	lappend histlist [lindex $expmap(powderlist) $item]
1098	}
1099	# must have at least one histogram selected here
1100	if {[llength $histlist] == 0} {
1101	set expgui(backtermlbl) ""
1102	set expgui(backtypelbl) ""
1103	foreach var {bref bdamp} {
1104	set entrycmd($var) ""
1105	set entryvar($var) ""
1106	}
1107	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1108	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1109	set expgui(bkglbl) ""
1110	eval destroy [grid slaves $expgui(diffBox)]
1111	set entrycmd(trace) 1
1112	return
1113	}
1114
1115	if {$expgui(globalmode) != 0} {
1116	set expgui(backtermlbl) ""
1117	set expgui(backtypelbl) ""
1118	foreach var {bref bdamp} {
1119	set entrycmd($var) "histinfo [list $histlist] $var"
1120	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1121	}
1122	} else {
1123	set hist $histlist
1124	set terms [histinfo $hist backterms]
1125	set expgui(backtermlbl) "($terms terms)"
1126	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1127	foreach var {bref bdamp} {
1128	set entrycmd($var) "histinfo $hist $var"
1129	set entryvar($var) [eval $entrycmd($var)]
1130	}
1131	}
1132	# Top box
1133	if {$expgui(globalmode) != 0} {
1134	$expgui(histFrame).top.txt config \
1135	-text "Selected Histograms: [CompressList $histlist]"
1136	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1137	set expgui(bkglbl) "Globally Edit Background"
1138	} else {
1139	grid forget $expgui(histFrame).top
1140	set expgui(bkglbl) "Edit Background"
1141	}
1142
1143	# diffractometer constants
1144	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1145	wref pref dcref daref ratref ttref zref } {
1146	set entrycmd($var) "histinfo [list $histlist] $var"
1147	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1148	}
1149
1150	eval destroy [grid slaves $expgui(diffBox)]
1151	if {$expgui(globalmode) == 0} {
1152	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1153	#------
1154	# TOF \|
1155	#------
1156	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1157	-column 1 -row 1
1158	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1159	-column 2 -row 1
1160	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1161	-column 3 -row 1 -sticky w
1162	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1163	-width 15 ] -column 4 -row 1
1164	#
1165	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1166	-column 1 -row 2
1167	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1168	-column 2 -row 2
1169	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1170	-column 3 -row 2
1171	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1172	-width 15 ] -column 4 -row 2
1173	#
1174	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1175	-column 3 -row 3
1176	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1177	-width 15 ] -column 4 -row 3
1178	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1179	-column 1 -row 3 -sticky w
1180	grid [ checkbutton $expgui(diffBox).rfDCzref \
1181	-variable entryvar(zref) ] -column 2 -row 3
1182	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1183	#---------------
1184	# CW - neutron \|
1185	#---------------
1186	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1187	-column 1 -row 1
1188	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1189	-column 2 -row 1
1190	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1191	-column 3 -row 1 -sticky w
1192	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1193	-width 15 ] -column 4 -row 1
1194	#
1195	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1196	-column 1 -row 3 -sticky w
1197	grid [ checkbutton $expgui(diffBox).rfDCzref \
1198	-variable entryvar(zref) ] -column 2 -row 3
1199	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1200	-column 3 -row 3
1201	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1202	-width 15 ] -column 4 -row 3
1203	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1204	[histinfo $hist lam2] == 0.0} {
1205	#--------------------------
1206	# CW - x-ray 1 wavelength \|
1207	#--------------------------
1208	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1209	-column 1 -row 1
1210	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1211	-column 2 -row 1
1212	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1213	-column 3 -row 1 -sticky w
1214	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1215	-width 15 ] -column 4 -row 1
1216	#
1217	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1218	-column 1 -row 3 -sticky w
1219	grid [ checkbutton $expgui(diffBox).rfDCzref \
1220	-variable entryvar(zref) ] -column 2 -row 3
1221	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1222	-column 3 -row 3
1223	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1224	-width 15 ] -column 4 -row 3
1225	#
1226	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1227	-column 1 -row 4 -sticky w
1228	grid [ checkbutton $expgui(diffBox).rfDCpref \
1229	-variable entryvar(pref) ] -column 2 -row 4
1230	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1231	-column 3 -row 4
1232	grid [ entry $expgui(diffBox).eDCpola \
1233	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1234	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1235	-column 5 -row 4
1236	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1237	-textvariable entryvar(ipola)] -column 6 -row 4
1238	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1239	#---------------------------
1240	# CW - x-ray 2 wavelengths \|
1241	#---------------------------
1242	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1243	-column 3 -row 1 -sticky w
1244	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1245	-width 15 ] -column 4 -row 1
1246	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1247	-width 15 ] -column 5 -row 1
1248	#
1249	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1250	-column 1 -row 2 -sticky w
1251	grid [ checkbutton $expgui(diffBox).rfDCrref \
1252	-variable entryvar(ratref) ] -column 2 -row 2
1253	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1254	-column 3 -row 2
1255	grid [ entry $expgui(diffBox).eDCkratio \
1256	-textvariable entryvar(kratio) \
1257	-width 15 ] -column 4 -row 2
1258	#
1259	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1260	-column 3 -row 3
1261	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1262	-width 15 ] -column 4 -row 3
1263	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1264	-column 1 -row 3 -sticky w
1265	grid [ checkbutton $expgui(diffBox).rfDCzref \
1266	-variable entryvar(zref) ] -column 2 -row 3
1267	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1268	-column 1 -row 4 -sticky w
1269	grid [ checkbutton $expgui(diffBox).rfDCpref \
1270	-variable entryvar(pref) ] -column 2 -row 4
1271	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1272	-column 3 -row 4
1273	grid [ entry $expgui(diffBox).eDCpola \
1274	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1275	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1276	-column 5 -row 4
1277	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1278	-textvariable entryvar(ipola)] -column 6 -row 4
1279	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1280	#-------------
1281	# ED - x-ray \|
1282	#-------------
1283	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1284	-column 1 -row 1
1285	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1286	-column 2 -row 1
1287	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1288	-column 3 -row 1 -sticky w
1289	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1290	-width 15 ] -column 4 -row 1
1291	#
1292	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1293	-column 1 -row 4 -sticky w
1294	grid [ checkbutton $expgui(diffBox).rfDCpref \
1295	-variable entryvar(pref) ] -column 2 -row 4
1296	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1297	-column 3 -row 4
1298	grid [ entry $expgui(diffBox).eDCpola \
1299	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1300	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1301	-column 5 -row 4
1302	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1303	-textvariable entryvar(ipola)] -column 6 -row 4
1304	}
1305	} elseif {$expgui(globalmode) == 1} {
1306	#-------------
1307	# Global TOF \|
1308	#-------------
1309	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1310	-column 1 -row 1
1311	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1312	-column 2 -row 1
1313	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1314	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1315	#
1316	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1317	-column 1 -row 2
1318	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1319	-column 2 -row 2
1320	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1321	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1322	#
1323	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1324	-column 1 -row 3 -sticky w
1325	grid [ checkbutton $expgui(diffBox).rfDCzref \
1326	-variable entryvar(zref) ] -column 2 -row 3
1327	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1328	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1329	} elseif {$expgui(globalmode) == 2} {
1330	#--------------------
1331	# Global CW neutron \|
1332	#--------------------
1333	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1334	-column 1 -row 1
1335	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1336	-column 2 -row 1
1337	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1338	-command "editglobalparm histinfo lam1 Wavelength"] \
1339	-column 3 -row 1
1340	#
1341	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1342	-column 1 -row 3 -sticky w
1343	grid [ checkbutton $expgui(diffBox).rfDCzref \
1344	-variable entryvar(zref) ] -column 2 -row 3
1345	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1346	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1347	} elseif {$expgui(globalmode) == 4} {
1348	#----------------------
1349	# Global CW mono xray \|
1350	#----------------------
1351	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1352	-column 1 -row 1
1353	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1354	-column 2 -row 1
1355	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1356	-command "editglobalparm histinfo lam1 Wavelength"] \
1357	-column 3 -row 1
1358	#
1359	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1360	-column 1 -row 3 -sticky w
1361	grid [ checkbutton $expgui(diffBox).rfDCzref \
1362	-variable entryvar(zref) ] -column 2 -row 3
1363	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1364	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1365	#
1366	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1367	-column 1 -row 4 -sticky w
1368	grid [ checkbutton $expgui(diffBox).rfDCpref \
1369	-variable entryvar(pref) ] -column 2 -row 4
1370	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1371	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1372	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1373	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1374	} elseif {$expgui(globalmode) == 3} {
1375	#------------------------
1376	# Global alpha 1,2 xray \|
1377	#------------------------
1378	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1379	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1380	-column 3 -row 1
1381	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1382	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1383	-column 4 -row 1
1384	#
1385	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1386	-column 1 -row 3 -sticky w
1387	grid [ checkbutton $expgui(diffBox).rfDCratref \
1388	-variable entryvar(ratref) ] -column 2 -row 3
1389	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1390	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1391	-column 3 -row 3
1392	#
1393	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1394	-column 1 -row 3 -sticky w
1395	grid [ checkbutton $expgui(diffBox).rfDCzref \
1396	-variable entryvar(zref) ] -column 2 -row 3
1397	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1398	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1399	#
1400	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1401	-column 1 -row 4 -sticky w
1402	grid [ checkbutton $expgui(diffBox).rfDCpref \
1403	-variable entryvar(pref) ] -column 2 -row 4
1404	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1405	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1406	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1407	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1408	} elseif {$expgui(globalmode) == 5} {
1409	#-----------------
1410	# Global ED xray \|
1411	#-----------------
1412	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1413	-column 1 -row 1
1414	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1415	-column 2 -row 1
1416	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1417	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1418	-column 3 -row 1
1419	#
1420	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1421	-column 1 -row 4 -sticky w
1422	grid [ checkbutton $expgui(diffBox).rfDCpref \
1423	-variable entryvar(pref) ] -column 2 -row 4
1424	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1425	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1426	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1427	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1428	}
1429	if {$expgui(globalmode) == 0} {
1430	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1431	-columnspan 2 -sticky e
1432	} else {
1433	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1434	-columnspan 2 -sticky e
1435	}
1436	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1437	-column 1 -row 1
1438	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1439	grid $expgui(diffBox).d.om -column 2 -row 1
1440	grid columnconfigure $expgui(diffBox) 9 -weight 1
1441	grid columnconfigure $expgui(diffBox) 0 -weight 1
1442	update idletasks
1443	# enable traces on entryvar now
1444	set entrycmd(trace) 1
1445	}
1446
1447	#-----------------------------------------------------------------------
1448	# populate the Scaling page
1449	#-----------------------------------------------------------------------
1450	proc DisplayFrac {} {
1451	global expgui entrycmd entryvar expmap
1452
1453	# trap if more than one histogram is selected unless global mode
1454	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1455	set expgui(curhist) [lindex $expgui(curhist) 0]
1456	}
1457
1458	# display the selected histograms
1459	$expgui(fracFrame).hs.lbox selection clear 0 end
1460	foreach h $expgui(curhist) {
1461	$expgui(fracFrame).hs.lbox selection set $h
1462	}
1463
1464	# disable traces on entryvar
1465	set entrycmd(trace) 0
1466
1467	# get histogram list
1468	set histlist {}
1469	foreach item $expgui(curhist) {
1470	lappend histlist [lindex $expmap(powderlist) $item]
1471	}
1472
1473	# must have at least one histogram selected here
1474	if {[llength $histlist] == 0} {
1475	foreach var {scale sref sdamp} {
1476	set entrycmd($var) ""
1477	set entryvar($var) ""
1478	}
1479	set parm [grid info $expgui(scaleBox).but1]
1480	if {$parm != ""} {
1481	grid forget $expgui(scaleBox).but1
1482	eval grid $expgui(scaleBox).ent1 $parm
1483	}
1484	# destroy the contents of the frame
1485	set phaseFractf1 $expgui(FracBox).f
1486	eval destroy [grid slaves $phaseFractf1]
1487	# reenable traces on entryvar
1488	set entrycmd(trace) 1
1489	return
1490	}
1491
1492	#--------------
1493	# Scale factor
1494	#--------------
1495	if {$expgui(globalmode) != 0} {
1496	foreach var {scale sref sdamp} {
1497	set entrycmd($var) "histinfo [list $histlist] $var"
1498	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1499	}
1500	set parm [grid info $expgui(scaleBox).ent1]
1501	if {$parm != ""} {
1502	grid forget $expgui(scaleBox).ent1
1503	eval grid $expgui(scaleBox).but1 $parm
1504	}
1505	} else {
1506	set hist $histlist
1507	foreach var {scale sref sdamp} {
1508	set entrycmd($var) "histinfo $hist $var"
1509	set entryvar($var) [eval $entrycmd($var)]
1510	}
1511	set parm [grid info $expgui(scaleBox).but1]
1512	if {$parm != ""} {
1513	grid forget $expgui(scaleBox).but1
1514	eval grid $expgui(scaleBox).ent1 $parm
1515	}
1516	}
1517
1518	#----------------
1519	# Phase Fractions
1520	#----------------
1521	set phaseFractf1 $expgui(FracBox).f
1522	# destroy the contents of the frame
1523	eval destroy [grid slaves $phaseFractf1]
1524	if {$expgui(globalmode) != 0} {
1525	grid [label $phaseFractf1.txt -anchor center \
1526	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1527	-column 0 -row 0 -sticky news
1528	} else {
1529	grid [label $phaseFractf1.txt -anchor center \
1530	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1531	}
1532	# Create the frame inside the canvas, One frame for each Phase.
1533	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1534	foreach hist $histlist {
1535	foreach i $expmap(phaselist_$hist) {
1536	lappend phasehistlist($i) $hist
1537	}
1538	}
1539	foreach i {1 2 3 4 5 6 7 8 9} {
1540	if {[llength $phasehistlist($i)] == 0} continue
1541	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1542	grid $framePF -column 0 -row $i -sticky ew
1543	# Label Heading for each phase.
1544	if {$expgui(globalmode) != 0} {
1545	grid [label $framePF.l1 \
1546	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1547	-column 0 -row 0 -sticky nws
1548	grid [button $framePF.but1 -text "Set Globally" \
1549	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1550	[list $phasehistlist($i)] $i" \
1551	] -column 1 -row 0
1552	} else {
1553	grid [label $framePF.l1 -text "Phase $i fraction"] \
1554	-column 0 -row 0 -sticky nws
1555	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1556	-column 1 -row 0
1557	}
1558	set entrycmd(frac$i) "hapinfo $hist $i frac"
1559	set entryvar(frac$i) [hapinfo $hist $i frac]
1560	grid [label $framePF.l2 -text " Refine"] \
1561	-column 2 -row 0 -sticky nws
1562	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1563	-column 3 -row 0 -sticky nws
1564	set entrycmd(frref$i) "hapinfo $hist $i frref"
1565	set entryvar(frref$i) [hapinfo $hist $i frref]
1566	grid [label $framePF.l3 -text " Damping"] \
1567	-column 4 -row 0 -sticky nws
1568	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1569	0 1 2 3 4 5 6 7 8 9
1570	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1571	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1572	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1573	}
1574	# resize the scroll window to match the actual
1575	update idletasks
1576	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1577	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1578	update idletasks
1579	# enable traces on entryvar now
1580	set entrycmd(trace) 1
1581	}
1582
1583	#-----------------------------------------------------------------------
1584	# display the profile page
1585	#-----------------------------------------------------------------------
1586	proc DisplayProfile {} {
1587	global expgui entrycmd entryvar expmap
1588
1589	# trap if more than one histogram is selected unless global mode
1590	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1591	set expgui(curhist) [lindex $expgui(curhist) 0]
1592	}
1593	# display the selected histograms
1594	$expgui(profFrame).hs.lbox selection clear 0 end
1595	foreach h $expgui(curhist) {
1596	$expgui(profFrame).hs.lbox selection set $h
1597	}
1598
1599	# destroy the contents of the frame
1600	eval destroy [grid slaves $expgui(ProfileBox).f]
1601
1602	if {$expgui(globalmode) == 0} {
1603	# must have at least one histogram selected here
1604	if {[llength $expgui(curhist)] == 0} return
1605	# disable traces on entryvar for right now
1606	set entrycmd(trace) 0
1607	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1608	# no defined histograms?
1609	if {$hist == ""} return
1610	# Create one frame for each Phase.
1611	set ind -1
1612	set htype [string range $expmap(htype_$hist) 2 2]
1613	foreach i $expmap(phaselist_$hist) {
1614	incr ind
1615	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1616	-column 0 -row $ind -sticky ew
1617	grid [frame $expgui(ProfileBox).f.$i.1] \
1618	-column 0 -row 0 -columnspan 10 -sticky ew
1619	# Label Heading for each phase.
1620	set ptype [string trim [hapinfo $hist $i proftype]]
1621	pack [label $expgui(ProfileBox).f.$i.1.l \
1622	-text "Phase $i -- type $ptype Damping"]\
1623	-side left
1624	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1625	0 1 2 3 4 5 6 7 8 9
1626	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1627	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1628	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1629	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1630	-text " Peak cutoff"]\
1631	-side left
1632	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1633	-width 10 -textvariable entryvar(pcut_$i)]\
1634	-side left
1635	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1636	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1637
1638	set col -1
1639	set row 1
1640	set nterms [hapinfo $hist $i profterms]
1641	set lbls {}
1642	catch {set lbls $expgui(prof-$htype-$ptype)}
1643	# for type 4, add extra terms depending on the cell type
1644	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1645	for { set num 1 } { $num <= $nterms } { incr num } {
1646	set term {}
1647	catch {set term [lindex $lbls $num]}
1648	if {$term == ""} {set term $num}
1649	incr col
1650	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1651	-row $row -column $col
1652	incr col
1653	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1654	-variable entryvar(pref${num}_$i)] -row $row -column $col
1655	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1656	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1657	incr col
1658	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1659	-textvariable entryvar(pterm${num}_$i)\
1660	-width 12] -row $row -column $col
1661	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1662	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1663	if {$col > 6} {set col -1; incr row}
1664	}
1665	}
1666	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1667	} else {
1668	# get histogram list
1669	set histlist {}
1670	foreach item $expgui(curhist) {
1671	lappend histlist [lindex $expmap(powderlist) $item]
1672	}
1673	# must have at least one histogram selected here
1674	if {[llength $histlist] == 0} return
1675	# disable traces on entryvar for right now
1676	set entrycmd(trace) 0
1677	# loop through histograms & phases, set up an array by phase & profile type
1678	catch {unset prtyparray histarray phasearray}
1679	foreach hist $histlist {
1680	foreach phase $expmap(phaselist_$hist) {
1681	set prtyp [string trim [hapinfo $hist $phase proftype]]
1682	set key ${prtyp}_$phase
1683	lappend prtyparray($key) $hist
1684	lappend histarray($key) $hist
1685	lappend phasearray($key) $phase
1686	}
1687	}
1688
1689	set ptype ""
1690	set i -1
1691	# loop over all combined phases and profile types, sorted 1st by profile number
1692	foreach key [lsort [array names prtyparray]] {
1693	# split key
1694	scan $key %d_%d prftyp p
1695
1696	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1697	set ptype $prftyp
1698	set curhistlist $histarray($key)
1699	set curphaslist $phasearray($key)
1700
1701	set hist1 [lindex $curhistlist 0]
1702	set phase1 [lindex $curphaslist 0]
1703	set nterms [hapinfo $hist1 $phase1 profterms]
1704	set htype [string range $expmap(htype_$hist1) 2 2]
1705	set lbls $expgui(prof-$htype-$ptype)
1706	# for type 4, add extra terms depending on the cell type
1707	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1708	# Create a frame for this type
1709	incr i
1710	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1711	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1712	-column 0 -row $i -sticky ew
1713	grid [frame $expgui(ProfileBox).f.$i.0] \
1714	-column 0 -row 0 -columnspan 20 -sticky ew
1715	grid [label $expgui(ProfileBox).f.$i.0.0 \
1716	-text "Profile Type $ptype "] -row 0 -column 0
1717	grid [label $expgui(ProfileBox).f.$i.0.1 \
1718	-anchor w] -row 0 -column 1
1719	grid [frame $expgui(ProfileBox).f.$i.1] \
1720	-column 0 -row 1 -columnspan 20 -sticky ew
1721	grid [label $expgui(ProfileBox).f.$i.1.2 \
1722	-text "Damping"] -row 0 -column 2
1723	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1724	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1725	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1726	grid [button $expgui(ProfileBox).f.$i.1.edit \
1727	-text "Global Edit"] -row 0 -column 4 -sticky w
1728	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1729	set col -1
1730	set row 2
1731	for { set num 1 } { $num <= $nterms } { incr num } {
1732	set term {}
1733	catch {set term [lindex $lbls $num]}
1734	if {$term == ""} {set term $num}
1735	incr col
1736	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} \
1737	-text "$term"] -row $row -column $col
1738	incr col
1739	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1740	-variable entryvar(pref${num}_$i)] \
1741	-row $row -column $col
1742	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1743	if {$col > 10} {set col -1; incr row}
1744	}
1745	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1746	} else {
1747	# add to the current entry
1748	eval lappend curhistlist $histarray($key)
1749	eval lappend curphaslist $phasearray($key)
1750	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1751	}
1752	$expgui(ProfileBox).f.$i.0.1 config -text $boxtitle
1753	$expgui(ProfileBox).f.$i.1.edit config -command "\
1754	EditProfile \"\n$boxtitle\" \
1755	[list $curhistlist] \
1756	[list $curphaslist]"
1757	set entrycmd(pdamp_$i) "hapinfo \
1758	[list $curhistlist] \
1759	[list $curphaslist] pdamp"
1760	for { set num 1 } { $num <= $nterms } { incr num } {
1761	set entrycmd(pref${num}_$i) "hapinfo \
1762	[list $curhistlist] \
1763	[list $curphaslist] pref$num"
1764	}
1765	}
1766	}
1767
1768	# resize the scroll window to match the actual
1769	update idletasks
1770	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1771	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1772	update idletasks
1773	# enable traces on entryvar now
1774	set entrycmd(trace) 1
1775	}
1776
1777	# profile labels for type 4 profile
1778	proc type4lbls {lbls nterms phase} {
1779	if {$nterms == 14} {
1780	# cubic
1781	lappend lbls S400 S220
1782	} elseif {$nterms == 15} {
1783	# hexagonal
1784	lappend lbls S400 S004 S202
1785	} elseif {$nterms == 16} {
1786	# tetragonal or rhombohedral
1787	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1788	# rhombohedral
1789	lappend lbls S400 S220 S310 S211
1790	} else {
1791	lappend lbls S400 S004 S220 S202
1792	}
1793	} elseif {$nterms == 18} {
1794	# orthorhombic
1795	lappend lbls S400 S040 S004 S220 S202 S022
1796	} elseif {$nterms == 21} {
1797	# monoclinic
1798	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1799	} elseif {$nterms == 25} {
1800	# triclinic
1801	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1802	S130 S301 S013 S211 S121 S112
1803	}
1804	return $lbls
1805	}
1806
1807	# process the bit settings in the print options
1808	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1809	proc printsetting {bitnum "action get" "value {}"} {
1810	global entryvar expgui
1811	if {$action == "get"} {
1812	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1813	} elseif $value {
1814	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1815	} else {
1816	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1817	}
1818	expinfo print set $newval
1819	set expgui(printopt) "Print Options ([expinfo print])"
1820	}
1821
1822	# need to respond to mouse presses -- control variable associated with extract Fobs
1823	# and set the LeBail extraction flags
1824	proc SetupExtractHist {} {
1825	global expgui entrycmd entryvar expmap
1826
1827	# display the selected histograms
1828	$expgui(lsFrame).hs.lbox selection clear 0 end
1829	foreach h $expgui(curhist) {
1830	$expgui(lsFrame).hs.lbox selection set $h
1831	}
1832
1833	# get histogram list
1834	set histlist {}
1835	foreach item $expgui(curhist) {
1836	set hist [lindex $expmap(powderlist) $item]
1837	if {$hist != ""} {lappend histlist $hist}
1838	}
1839	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1840	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1841	foreach phase {1 2 3 4 5 6 7 8 9} {
1842	$expgui(lsFrame).f1.a.l$phase config -fg grey
1843	set expgui(Fextract$phase) {}
1844	foreach item $expgui(ExtractSettingsRadiobuttons) {
1845	${item}$phase config -state disabled -bd 1
1846	}
1847	}
1848	} elseif {[llength $histlist] == 1} {
1849	# disable traces on entryvar
1850	set entrycmd(trace) 0
1851	set entryvar(fobsextract) [histinfo $histlist foextract]
1852	foreach phase {1 2 3 4 5 6 7 8 9} {
1853	# is the phase present?
1854	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1855	$expgui(lsFrame).f1.a.l$phase config -fg grey
1856	set expgui(Fextract$phase) {}
1857	foreach item $expgui(ExtractSettingsRadiobuttons) {
1858	${item}$phase config -state disabled -bd 1
1859	}
1860	} else {
1861	$expgui(lsFrame).f1.a.l$phase config -fg black
1862	foreach item $expgui(ExtractSettingsRadiobuttons) {
1863	${item}$phase config -state normal -bd 2
1864	}
1865	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1866	}
1867	}
1868	} elseif {[llength $histlist] > 1} {
1869	# disable traces on entryvar
1870	set entrycmd(trace) 0
1871	# multiple histograms need phases in any histogram
1872	foreach phase {1 2 3 4 5 6 7 8 9} {
1873	set gotphase($phase) 0
1874	}
1875	foreach hist $histlist {
1876	foreach phase $expmap(phaselist_$hist) {
1877	set gotphase($phase) 1
1878	}
1879	}
1880	foreach phase {1 2 3 4 5 6 7 8 9} {
1881	set expgui(Fextract$phase) {}
1882	if $gotphase($phase) {
1883	$expgui(lsFrame).f1.a.l$phase config -fg black
1884	foreach item $expgui(ExtractSettingsRadiobuttons) {
1885	${item}$phase config -state normal -bd 2
1886	}
1887	} else {
1888	$expgui(lsFrame).f1.a.l$phase config -fg grey
1889	foreach item $expgui(ExtractSettingsRadiobuttons) {
1890	${item}$phase config -state disabled -bd 1
1891	}
1892	}
1893	}
1894	}
1895	# reenable traces
1896	set entrycmd(trace) 1
1897	}
1898	# respond to a change in the fobs extraction method for a phase
1899	# force the main extraction flag on, if fobs extraction is selected for any phase
1900	proc HistExtractSet {phase} {
1901	global expgui entryvar expmap
1902	foreach item $expgui(curhist) {
1903	lappend histlist [lindex $expmap(powderlist) $item]
1904	}
1905	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1906	incr expgui(changed)
1907	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1908	}
1909	#---------------------------- Global Edit Functions ------------------------
1910	proc editbackground {} {
1911	global expgui expmap entrycmd
1912	set histlist {}
1913	foreach n $expgui(curhist) {
1914	lappend histlist [lindex $expmap(powderlist) $n]
1915	}
1916	if {[llength $histlist] == 0} return
1917
1918	set w .back
1919	catch {destroy $w}
1920	toplevel $w -bg beige
1921	if {$expgui(globalmode) != 0} {
1922	wm title $w "Edit Background"
1923	} else {
1924	wm title $w "Global Edit Background"
1925	}
1926
1927	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1928	] -side top -expand yes -fill both
1929	if {[llength $histlist] > 1} {
1930	grid [label $w.0.a \
1931	-text "Setting background terms for histograms [CompressList $histlist]" \
1932	-bg beige] -row 0 -column 0 -columnspan 10
1933	} else {
1934	grid [label $w.0.a \
1935	-text "Setting background terms for histogram $histlist" \
1936	-bg beige] -row 0 -column 0 -columnspan 10
1937	}
1938	set hist [lindex $histlist 0]
1939	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1940
1941	# disable traces on expgui(backtype) & expgui(backterms) now
1942	set entrycmd(trace) 0
1943
1944	# number of terms
1945	set expgui(backtype) [histinfo $hist backtype]
1946	set expgui(orig_backtype) $expgui(backtype)
1947	set expgui(prev_backtype) $expgui(backtype)
1948	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1949	grid $w.0.type -row 1 -column 1
1950	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1951
1952	# function type
1953	set expgui(backterms) [histinfo $hist backterms]
1954	set expgui(orig_backterms) $expgui(backterms)
1955	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1956	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1957	grid $w.0.terms -row 1 -column 3
1958	# enable traces on expgui(backtype) & expgui(backterms) now
1959	set entrycmd(trace) 1
1960
1961	#set background terms
1962	for {set num 1 } { $num <= 36 } { incr num } {
1963	set var "bterm$num"
1964	set expgui($var) {}
1965	set expgui(orig_$var) {}
1966	}
1967	if {[llength $histlist] == 1} {
1968	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1969	set var "bterm$num"
1970	set expgui($var) [histinfo $histlist $var]
1971	set expgui(orig_$var) $expgui($var)
1972	}
1973	}
1974
1975	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1976	-expand yes -fill both
1977	ShowBackTerms $w.1
1978
1979	set expgui(temp) {}
1980	pack [frame $w.b] -side top
1981	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1982	pack [button $w.b.3 -text Quit \
1983	-command "QuitEditBackground $w"] -side left
1984	bind $w <Return> "destroy $w"
1985
1986	# force the window to stay on top
1987	putontop $w
1988
1989	focus $w.b.2
1990	tkwait window $w
1991	afterputontop
1992
1993	if {$expgui(temp) != ""} return
1994
1995	if {$expgui(orig_backtype) != $expgui(backtype)} {
1996	histinfo $histlist backtype set $expgui(backtype)
1997	incr expgui(changed)
1998	}
1999	if {$expgui(orig_backterms) != $expgui(backterms)} {
2000	histinfo $histlist backterms set $expgui(backterms)
2001	incr expgui(changed)
2002	}
2003	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2004	set var "bterm$num"
2005	if {$expgui(orig_$var) != $expgui($var)} {
2006	histinfo $histlist $var set $expgui($var)
2007	incr expgui(changed)
2008	}
2009	}
2010
2011	if {$expgui(globalmode) == 0} {
2012	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2013	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2014	}
2015	}
2016
2017	trace variable expgui(backterms) w ChangeBackTerms
2018	proc ChangeBackTerms {a b c} {
2019	global entrycmd expgui
2020	if !$entrycmd(trace) return
2021	ShowBackTerms .back.1
2022	}
2023
2024	trace variable expgui(backtype) w ChangeBackType
2025	# reset the terms to 1, 0, 0... when the number of terms increase
2026	proc ChangeBackType {a b c} {
2027	global entrycmd expgui
2028	if !$entrycmd(trace) return
2029	if {$expgui(prev_backtype) == $expgui(backtype)} return
2030	set expgui(prev_backtype) $expgui(backtype)
2031	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2032	set var "bterm$num"
2033	if {$num == 1} {
2034	set expgui($var) 1.0
2035	} else {
2036	set expgui($var) 0.0
2037	}
2038	}
2039	}
2040
2041	proc ShowBackTerms {w } {
2042	global expgui expmap
2043	# destroy the contents of the frame
2044	eval destroy [grid slaves $w]
2045	set histlist {}
2046	foreach n $expgui(curhist) {
2047	lappend histlist [lindex $expmap(powderlist) $n]
2048	}
2049	set widgetsPerRow 4
2050	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2051	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2052	set var "bterm$num"
2053	grid [label $w.l$num -text $num -bg beige] \
2054	-row $rows -column $cols -sticky nes
2055	incr cols
2056	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2057	] -row $rows -column $cols -sticky news
2058	incr cols
2059	}
2060	}
2061	}
2062
2063	proc QuitEditBackground {w} {
2064	global expgui
2065	# lets find out if anything changed
2066	set changed 0
2067	if {$expgui(orig_backtype) != $expgui(backtype)} {
2068	set changed 1
2069	}
2070	if {$expgui(orig_backterms) != $expgui(backterms)} {
2071	set changed 1
2072	}
2073	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2074	set var "bterm$num"
2075	if {$expgui(orig_$var) != $expgui($var)} {
2076	set changed 1
2077	break
2078	}
2079	}
2080	if $changed {
2081	set decision [tk_dialog .changes "Abandon Changes" \
2082	"You have made changes to the background. Ok to abandon changes?" \
2083	warning 0 Abandon Keep]
2084	if !$decision {
2085	set expgui(temp) "Quit"
2086	destroy $w
2087	}
2088	} else {
2089	set expgui(temp) "Quit"
2090	destroy $w
2091	}
2092	}
2093
2094	# this probably needs work
2095	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2096	global expgui expmap
2097	set w .global
2098	catch {destroy $w}
2099	toplevel $w -bg beige
2100	wm title $w "Edit Global Parameter"
2101	set expgui(temp) {}
2102	if {[llength $histlist] == 0} {
2103	set hist {}
2104	foreach n $expgui(curhist) {
2105	lappend hist [lindex $expmap(powderlist) $n]
2106	}
2107	} else {
2108	set hist $histlist
2109	}
2110	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2111	-side top -expand yes -fill both
2112	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2113	-bg beige] \
2114	-row 0 -column 0 -columnspan 10
2115	grid [entry $w.0.b -textvariable expgui(temp)] \
2116	-row 1 -column 0
2117
2118
2119	pack [frame $w.b] -side top
2120	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2121	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2122	bind $w <Return> "destroy $w"
2123
2124	# force the window to stay on top
2125	putontop $w
2126	focus $w.b.2
2127	tkwait window $w
2128	afterputontop
2129
2130	if {$expgui(temp) != ""} {
2131	foreach h $hist {
2132	if {$cmd == "histinfo"} {
2133	histinfo $h $variable set $expgui(temp)
2134	incr expgui(changed)
2135	if $expgui(debug) {
2136	puts "histinfo $h $variable set $expgui(temp)"
2137	}
2138	} elseif {$cmd == "hapinfo"} {
2139	hapinfo $h $phase $variable set $expgui(temp)
2140	incr expgui(changed)
2141	if $expgui(debug) {
2142	puts "hapinfo $phase $h $variable set $expgui(temp)"
2143	}
2144	} else {
2145	error "$cmd unimplemented"
2146	}
2147	}
2148	}
2149	}
2150
2151	proc EditProfile {title histlist phaselist} {
2152	global expgui expmap entrycmd
2153	set w .back
2154	catch {destroy $w}
2155	toplevel $w -bg beige
2156	wm title $w "Global Edit Profile"
2157	set hist [lindex $histlist 0]
2158	set phase [lindex $phaselist 0]
2159	set ptype [string trim [hapinfo $hist $phase proftype]]
2160	set htype [string range $expmap(htype_$hist) 2 2]
2161	set nterms [hapinfo $hist $phase profterms]
2162
2163	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2164	] -side top -expand yes -fill both
2165	grid [label $w.0.a \
2166	-text "Setting profile terms: $title" \
2167	-bg beige] -row 0 -column 0 -columnspan 10
2168	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2169
2170	# number of terms
2171	# set expgui(backtype) [histinfo $hist backtype]
2172	# set expgui(orig_backtype) $expgui(backtype)
2173	# set expgui(prev_backtype) $expgui(backtype)
2174	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2175	# grid $w.0.type -row 1 -column 1
2176
2177	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2178	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2179	set entrylist {}
2180	lappend entrylist "pcut $w.0.d"
2181
2182	set col -1
2183	set row 1
2184	set lbls $expgui(prof-$htype-$ptype)
2185	# for type 4, add extra terms depending on the cell type
2186	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2187	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2188	] -side top -expand yes -fill both
2189	for { set num 1 } { $num <= $nterms } { incr num } {
2190	set term {}
2191	catch {set term [lindex $lbls $num]}
2192	if {$term == ""} {set term $num}
2193	incr col
2194	grid [label $w.1.l${num} -text "$term" -bg beige] \
2195	-row $row -column $col
2196	incr col
2197	grid [entry $w.1.ent${num} \
2198	-width 14] -row $row -column $col
2199	lappend entrylist "pterm$num $w.1.ent${num}"
2200	if {$col > 6} {set col -1; incr row}
2201	}
2202	pack [frame $w.b] -side top
2203	pack [button $w.b.2 -text Set \
2204	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2205	[list $histlist] $w"] -side left
2206	pack [button $w.b.3 -text Quit \
2207	-command "QuitEditProfile $w [list $entrylist]"] -side left
2208	bind $w <Return> "destroy $w"
2209
2210	# force the window to stay on top
2211	putontop $w
2212	focus $w.b.2
2213	tkwait window $w
2214	afterputontop
2215	}
2216
2217	proc SetEditProfile {entrylist phaselist histlist w} {
2218	global expgui
2219	foreach item $entrylist {
2220	set value [ [lindex $item 1] get ]
2221	if {$value != ""} {
2222	hapinfo $histlist $phaselist [lindex $item 0] set $value
2223	incr expgui(changed)
2224	if $expgui(debug) {
2225	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2226	}
2227	}
2228	}
2229	destroy $w
2230	}
2231
2232	proc QuitEditProfile {w entrylist} {
2233	global expgui
2234	# lets find out if anything changed
2235	set changed 0
2236	foreach item $entrylist {
2237	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2238	}
2239	if $changed {
2240	set decision [tk_dialog .changes "Abandon Changes" \
2241	"You have made changes to the Profile. Ok to abandon changes?" \
2242	warning 0 Abandon Keep]
2243	if !$decision {destroy $w}
2244	} else {
2245	destroy $w
2246	}
2247	}
2248
2249	##############################################################################
2250	## #############################################
2251	## END OF THE PROCEDURES SECTION #############################################
2252	## #############################################
2253	##############################################################################
2254
2255	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2256	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2257	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2258	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2259	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2260	# A frame for menu items at top of display
2261	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2262	# Pack the menu frame.
2263	pack $expgui(fm) -fill x -side top -anchor n
2264
2265	# create a button bar
2266	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2267
2268	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2269	# & LS controls
2270	if $expgui(havetix) {
2271	pack [tixNoteBook .n] -expand yes -fill both
2272	.n add lsFrame -label "LS Controls"
2273	.n pageconfigure lsFrame -raisecmd \
2274	"set expgui(pagenow) lsFrame; SetupExtractHist"
2275	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2276	.n add phasePane -label "Phase"
2277	.n pageconfigure phasePane -raisecmd \
2278	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2279	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2280	.n add histPane -label "Histogram"
2281	.n pageconfigure histPane -raisecmd \
2282	"set expgui(pagenow) histFrame; DisplayHistogram"
2283	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2284	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2285	.n add fracPane -label "Scaling"
2286	.n pageconfigure fracPane -raisecmd \
2287	"set expgui(pagenow) fracFrame; DisplayFrac"
2288	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2289	.n add profPane -label Profile
2290	.n pageconfigure profPane -raisecmd \
2291	"set expgui(pagenow) profFrame; DisplayProfile"
2292	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2293	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2294	# Finding the pathname to the subwidget frames.
2295	set expgui(phaseFrame) [.n subwidget phasePane]
2296	set expgui(histFrame) [.n subwidget histPane]
2297	set expgui(fracFrame) [.n subwidget fracPane]
2298	set expgui(profFrame) [.n subwidget profPane]
2299	set expgui(lsFrame) [.n subwidget lsFrame]
2300	} else {
2301	Notebook:create .n -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2302	pack .n -anchor w -fill both -expand yes
2303	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2304	page {"LS Controls" Phase Histogram Scaling Profile } {
2305	set expgui($item) [Notebook:frame .n $item]
2306	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2307	}
2308	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2309	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2310	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2311	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2312	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2313	set expgui(GlobalModeAllDisable) {}
2314	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2315	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2316	}
2317
2318	# this is used to bring up the selected frame
2319	proc RaisePage {nextpage} {
2320	global expgui
2321	if $expgui(havetix) {
2322	.n raise $nextpage
2323	set expgui(pagenow) $nextpage
2324	} else {
2325	Notebook:raise .n $nextpage
2326	InitPage $nextpage
2327	}
2328	}
2329	# this is only called when Tix is not present
2330	proc InitPage {nextpage} {
2331	global expgui
2332	set expgui(pagenow) $nextpage
2333	foreach set $expgui(frameactionlist) {
2334	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2335	}
2336	}
2337
2338	#----------------------------------------------------------------------------
2339	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2340	# Setup major frames here
2341	frame $expgui(phaseFrame).top
2342	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2343	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2344	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2345	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2346	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2347
2348	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2349	grid $frameLatt -sticky news -row 2 -column 0
2350	grid $fbig -sticky news -row 3 -column 0
2351	# give extra space to the atoms box
2352	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2353	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2354	grid $frame3 -sticky news -row 4 -column 0
2355	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2356	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2357	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2358	# this is where the buttons will go
2359	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2360
2361	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2362	-fg blue ] -column 1 -row 0 -sticky e
2363	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2364	-fg blue -width 45] -column 2 -row 0 -sticky e
2365	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2366	# ------------- Lattice Parameter Box ------------------
2367	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2368	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2369	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2370	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2371	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2372	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2373	set l1 [label $frameLatt.l1 -text "a"]
2374	set l2 [label $frameLatt.l2 -text "b"]
2375	set l3 [label $frameLatt.l3 -text "c"]
2376	set l4 [label $frameLatt.l4 -text a -font symbol]
2377	set l5 [label $frameLatt.l5 -text b -font symbol]
2378	set l6 [label $frameLatt.l6 -text g -font symbol]
2379	grid $e1 -column 1 -row 0 -padx 5
2380	grid $e2 -column 3 -row 0 -padx 5
2381	grid $e3 -column 5 -row 0 -padx 5
2382	grid $e4 -column 1 -row 1 -padx 5
2383	grid $e5 -column 3 -row 1 -padx 5
2384	grid $e6 -column 5 -row 1 -padx 5
2385	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2386	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2387	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2388	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2389	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2390	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2391
2392	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2393	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2394	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2395	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2396	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2397	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2398	if [file executable $expgui(exptool)] {
2399	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2400	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2401	grid columnconfig $frameLatt 0 -weight 1
2402	}
2403	#-------------- Begin Atom Coordinates Box ---------------------------------
2404	grid [listbox $fbig.title -height 1 -relief flat] \
2405	-row 0 -column 0 -sticky ew
2406	set expgui(atomtitle) $fbig.title
2407	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2408	grid [listbox $fbig.lbox -height 10 \
2409	-xscrollcommand " $fbig.bscr set"\
2410	-yscrollcommand " $fbig.rscr set"\
2411	] -row 1 -column 0 -sticky news
2412	set expgui(atomlistbox) $fbig.lbox
2413	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2414	grid [scrollbar $fbig.bscr -orient horizontal \
2415	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2416	] -row 2 -column 0 -sticky ew
2417	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2418	] -row 1 -column 1 -sticky ns
2419	# give extra space to the atoms box
2420	grid columnconfigure $fbig 0 -weight 1
2421	grid rowconfigure $fbig 1 -weight 1
2422
2423	proc move2boxes {boxlist args} {
2424	foreach listbox $boxlist {
2425	eval $listbox xview $args
2426	}
2427	}
2428	# BIND mouse in editbox
2429	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2430	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2431
2432	#-------------- End Atoms Section ---------------------------------
2433
2434	# --------------------------- Begin Edit Box -------------------------------
2435	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2436	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2437	if [file executable $expgui(exptool)] {
2438	button $frame3.newa -text "Add New Atom" \
2439	-command {MakeAddAtomsBox $expgui(curPhase)}
2440	grid $frame3.newa -column 11 -row 0
2441	}
2442
2443	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2444	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2445
2446	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2447	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2448	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2449	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2450	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2451	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2452
2453	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2454	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2455
2456	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2457	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2458	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2459	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2460	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2461	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2462	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2463	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2464	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2465
2466	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2467	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2468
2469	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2470	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2471
2472	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2473	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2474	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2475	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2476	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2477	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2478	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2479	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2480	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2481	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2482
2483	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2484	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2485	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2486	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2487	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2488	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2489	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2490	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2491
2492
2493	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2494	grid $f3f31 -column 0 -row 7 -columnspan 12
2495	set expgui(anisolabels) {}
2496	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2497	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2498	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2499	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2500	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2501	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2502
2503	set expgui(anisoentry) {}
2504	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2505	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2506	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2507	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2508	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2509	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2510
2511	set col 0
2512	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2513	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2514	incr col
2515	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2516	incr col
2517	}
2518	# --------------------------- End Edit Box --------------------------------
2519
2520	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2521	#-----------------------------------------------------------------------------
2522	#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
2523	grid [frame $expgui(histFrame).hs] \
2524	-column 0 -row 0 -rowspan 10 -sticky nsew
2525	grid columnconfigure $expgui(histFrame) 0 -weight 1
2526	grid rowconfigure $expgui(histFrame) 1 -weight 1
2527	grid rowconfigure $expgui(histFrame) 2 -weight 1
2528	grid rowconfigure $expgui(histFrame) 3 -weight 1
2529	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2530	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2531	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2532	-font $expgui(histfont) \
2533	-xscrollcommand "$expgui(histFrame).hs.x set" \
2534	-yscrollcommand "$expgui(histFrame).hs.y set" \
2535	] -row 1 -column 0 -sticky news
2536	lappend expgui(HistSelectList) $expgui(histFrame).hs
2537	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2538	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2539	] -row 2 -column 0 -sticky ew
2540	grid [scrollbar $expgui(histFrame).hs.y \
2541	-command "$expgui(histFrame).hs.lbox yview"] \
2542	-row 1 -column 1 -sticky ns
2543	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2544	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2545	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2546	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2547	DisplayHistogram
2548	}
2549	bind $expgui(histFrame).hs.lbox <Button-3> {
2550	if $expgui(globalmode) {
2551	$expgui(histFrame).hs.lbox selection set 0 end
2552	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2553	DisplayHistogram
2554	}
2555	}
2556
2557
2558	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2559	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2560	if $expgui(havetix) {
2561	foreach item {backBox diffBox} num {2 3} \
2562	title {Background "Diffractometer Constants"} {
2563	tixLabelFrame $expgui(histFrame).$item \
2564	-borderwidth 4 -width 600 -height 100 -label $title
2565	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2566	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2567	}
2568	} else {
2569	foreach item {backBox diffBox} num {1 2} \
2570	title {Background "Diffractometer Constants"} {
2571	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2572	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2573	set expgui($item) $expgui(histFrame).$item
2574	grid [label $expgui(histFrame).$item.title -text $title] \
2575	-row 0 -column 0 -columnspan 10 -sticky nw
2576	}
2577	}
2578	if [file executable $expgui(exptool)] {
2579	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2580	grid $expgui(histFrame).newh -column 1 -row 6
2581	}
2582
2583	# BACKGROUND information.
2584	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2585	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2586	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2587	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2588	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2589	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2590	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2591	-command editbackground] \
2592	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2593	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2594	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2595	-row 2 -column 1 -sticky news -padx 4 -pady 3
2596	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2597	-variable entryvar(bref) ] \
2598	-row 2 -column 2 -sticky news -padx 4 -pady 3
2599	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2600	-row 2 -column 3 -sticky w -padx 2 -pady 3
2601	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2602	grid $expgui(backBox).f1.om \
2603	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2604
2605	# DIFFRACTOMETER CONSTANTS SECTION
2606
2607	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2608	###############################################################################
2609	#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
2610
2611	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2612	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2613	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2614	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2615	-font $expgui(histfont) \
2616	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2617	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2618	] -row 1 -column 0 -sticky news
2619	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2620	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2621	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2622	] -row 2 -column 0 -sticky ew
2623	grid [scrollbar $expgui(fracFrame).hs.y \
2624	-command "$expgui(fracFrame).hs.lbox yview"] \
2625	-row 1 -column 1 -sticky ns
2626	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2627	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2628	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2629	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2630	DisplayFrac
2631	}
2632	bind $expgui(fracFrame).hs.lbox <Button-3> {
2633	if $expgui(globalmode) {
2634	$expgui(fracFrame).hs.lbox selection set 0 end
2635	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2636	DisplayFrac
2637	}
2638	}
2639	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2640	# Create a large canvas area containing a frame for each phase in the data set.
2641	# The canvas and vertical scrollbar are inside a frame called f1
2642	if $expgui(havetix) {
2643	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2644	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2645	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2646	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2647	} else {
2648	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2649	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2650	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2651	}
2652	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2653	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2654	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2655	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2656	button $expgui(scaleBox).but1 -text "Set Globally" \
2657	-command "editglobalparm histinfo scale {Scale Factor}"
2658
2659	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2660	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2661	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2662	-row 1 -column 3 -sticky news -padx 4 -pady 3
2663	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2664	-row 1 -column 4 -sticky w -padx 2 -pady 3
2665	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2666	grid $expgui(scaleBox).om \
2667	-row 1 -column 5 -sticky news -padx 4 -pady 3
2668	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2669
2670	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2671	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2672	-sticky news -row 1 -column 0
2673	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2674	-sticky ns -row 1 -column 1
2675
2676	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2677	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2678
2679	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2680	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2681	frame $expgui(FracBox).f -bd 0
2682	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2683
2684	# the rest of the page is created in DisplayFrac
2685	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2686	###############################################################################
2687	# 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
2688	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2689	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2690	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2691	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2692	-font $expgui(histfont) \
2693	-xscrollcommand "$expgui(profFrame).hs.x set" \
2694	-yscrollcommand "$expgui(profFrame).hs.y set" \
2695	] -row 1 -column 0 -sticky news
2696	lappend expgui(HistSelectList) $expgui(profFrame).hs
2697	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2698	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2699	] -row 2 -column 0 -sticky ew
2700	grid [scrollbar $expgui(profFrame).hs.y \
2701	-command "$expgui(profFrame).hs.lbox yview"] \
2702	-row 1 -column 1 -sticky ns
2703	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2704	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2705	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2706	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2707	DisplayProfile
2708	}
2709	bind $expgui(profFrame).hs.lbox <Button-3> {
2710	if $expgui(globalmode) {
2711	$expgui(profFrame).hs.lbox selection set 0 end
2712	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2713	DisplayProfile
2714	}
2715	}
2716
2717	# Create a large canvas area containing a frame for each phase in the data set.
2718	# The canvas and vertical scrollbar are inside a frame called f1
2719	pack [frame $expgui(profFrame).f1] -fill both -expand true
2720	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2721	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2722	-sticky news -row 0 -column 0
2723	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2724	-sticky ns -row 0 -column 1
2725
2726	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2727	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2728
2729	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2730	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2731	frame $expgui(ProfileBox).f -bd 0
2732	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2733
2734	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2735	##############################################################################
2736	# 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
2737	array set printopts {
2738	0 "Print the reciprocal metric tensor changes"
2739	1 "Print the correlation matrix"
2740	2 "Print the Least-Squares matrices and vectors"
2741	4 "Print the linear constraint matrices"
2742	5 "Print the applied shifts and shift factors"
2743	6 "Print the reciprocal metric tensor Var-Covar terms"
2744	7 "Print all parameters for each cycle"
2745	8 "Print summary shift/esd data after last cycle"
2746	9 "Print zero/unit pole figure constraint terms"
2747	}
2748	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2749	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2750	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2751	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2752	-font $expgui(histfont) \
2753	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2754	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2755	] -row 1 -column 0 -sticky news
2756	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2757	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2758	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2759	] -row 2 -column 0 -sticky ew
2760	grid [scrollbar $expgui(lsFrame).hs.y \
2761	-command "$expgui(lsFrame).hs.lbox yview"] \
2762	-row 1 -column 1 -sticky ns
2763	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2764	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2765	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2766	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2767	SetupExtractHist
2768	}
2769	bind $expgui(lsFrame).hs.lbox <Button-3> {
2770	if $expgui(globalmode) {
2771	$expgui(lsFrame).hs.lbox selection set 0 end
2772	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2773	SetupExtractHist
2774	}
2775	}
2776
2777	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2778	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2779	set row 0
2780	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2781	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2782	-textvariable expgui(last_History)] \
2783	-row $row -column 1 -columnspan 5 -sticky w
2784	incr row
2785	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2786	grid [entry $expgui(lsFrame).f1.tit2 \
2787	-textvariable entryvar(title) -width 48] \
2788	-row $row -column 1 -columnspan 5 -sticky w
2789	set entrycmd(title) "expinfo title"
2790
2791	incr row
2792	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2793	-row $row -column 0 -columnspan 2 -pady 3
2794	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2795	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2796	-textvariable entryvar(cycles)] -row 0 -column 1
2797	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2798	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2799	] -row $row -column 2
2800	menu $expgui(lsFrame).f1.lprint.menu
2801	foreach num [lsort [array names printopts]] {
2802	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2803	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2804	-variable entryvar(printopt$num)
2805	}
2806	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2807	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2808	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2809	incr row
2810	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2811	foreach num {1 2 3 4 5 6 7 8 9} {
2812	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2813	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2814	-command "HistExtractSet $num" \
2815	-variable expgui(Fextract$num) -value 0] \
2816	-row 2 -column $num
2817	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2818	-command "HistExtractSet $num" \
2819	-variable expgui(Fextract$num) -value 1] \
2820	-row 3 -column $num
2821	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2822	# -command "HistExtractSet $num" \
2823	# -variable expgui(Fextract$num) -value 2] \
2824	# -row 4 -column $num
2825	}
2826	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2827	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2828	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2829
2830	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2831	-column 0 -columnspan 11 -row 0
2832	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2833	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2834	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2835	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2836	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2837	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2838	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2839	#-------------------------------------------------------------------------
2840	#-------------------------------------------------------------------------
2841	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2842
2843	#---- file menu button
2844	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2845	menu $expgui(fm).file.menu
2846	if $expgui(debug) {
2847	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2848	-command "reset"
2849	}
2850	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2851	-command readnewexp
2852	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2853	-command savearchiveexp
2854	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2855	-command "SaveAsFile"
2856	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2857	-command {rereadexp $expgui(expfile)}
2858	#$expgui(fm).file.menu add command -label "Close" -underline 0
2859
2860	#---- help menu button
2861	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2862	menu $expgui(fm).help.menu
2863	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2864	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2865
2866	#---- options menu button
2867	menubutton $expgui(fm).option -text Options -underline 0 \
2868	-menu $expgui(fm).option.menu
2869	menu $expgui(fm).option.menu
2870
2871	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2872	-variable expgui(archive) -underline 0
2873
2874	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2875	-label "Sort atoms by"
2876
2877	set expgui(asorttype) number
2878	menu $expgui(fm).option.menu.asort
2879	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2880	-label number -value number -variable expgui(asorttype)
2881	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2882	-label type -value type -variable expgui(asorttype)
2883	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2884	-label x -value x -variable expgui(asorttype)
2885	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2886	-label y -value y -variable expgui(asorttype)
2887	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2888	-label z -value z -variable expgui(asorttype)
2889
2890
2891	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2892	-label "Sort histograms by"
2893
2894	set expgui(hsorttype) number
2895	menu $expgui(fm).option.menu.hsort
2896	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2897	-label number -value number -variable expgui(hsorttype)
2898	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2899	-label "Histogram type" -value type -variable expgui(hsorttype)
2900	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2901	-label "Bank #" -value bank -variable expgui(hsorttype)
2902	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2903	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2904
2905	#---- Global mode menu button
2906	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2907	-label "Multiple hist. selection"
2908	menu $expgui(fm).option.menu.editmode
2909	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2910	-variable expgui(globalmode) -underline 0 -value 0\
2911	-command sethistlist
2912	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2913	-variable expgui(globalmode) -underline 0 -value 6 \
2914	-command sethistlist
2915	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2916	-variable expgui(globalmode) -underline 0 -value 1 \
2917	-command sethistlist
2918	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2919	-variable expgui(globalmode) -underline 0 -value 2 \
2920	-command sethistlist
2921	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2922	-variable expgui(globalmode) -underline 0 -value 3 \
2923	-command sethistlist
2924	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2925	-variable expgui(globalmode) -underline 0 -value 4 \
2926	-command sethistlist
2927	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2928	-variable expgui(globalmode) -underline 0 -value 5 \
2929	-command sethistlist
2930	$expgui(fm).option.menu.editmode add separator
2931	$expgui(fm).option.menu.editmode add checkbutton \
2932	-label "Group phases together" \
2933	-variable expgui(globalphasemode) \
2934	-command sethistlist
2935
2936	set expgui(globalmode) 0
2937	set expgui(globalphasemode) 1
2938
2939	if {$tcl_platform(platform) != "windows"} {
2940	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2941	-variable env(GSASBACKSPACE)
2942	}
2943	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
2944	-variable expgui(autoexpload)
2945
2946	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2947	-command "SaveOptions"
2948
2949	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2950
2951	foreach menu $expgui(menunames) {
2952	set m [string tolower $menu]
2953	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2954	-menu $expgui(fm).$m.menu] -side left
2955	menu $expgui(fm).$m.menu
2956	}
2957	pack $expgui(fm).help -side right -in $expgui(fm)
2958
2959	# add the commands in expgui_menulist
2960	foreach menu [array names expgui_menulist ] {
2961	foreach cmd $expgui_menulist($menu) {
2962	set action {}
2963	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2964	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2965	if {$action != "" && $action != "-"} {
2966	eval $expgui(fm).$menu.menu add command \
2967	-label $cmd -command [list [subst $action]]
2968	}
2969	}
2970	}
2971	# setup command help
2972	foreach cmd [array names expgui_cmdlist] {
2973	set help {}
2974	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2975	if {$help == ""} {
2976	if {$expgui(debug)} {puts "no help for $cmd"}
2977	} else {
2978	# remove
2979	regsub -all \x09 $help " " help
2980	# preserve blank lines
2981	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2982	regsub -all \x0A $help " " help
2983	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2984	regsub -all " +" $help " " help
2985	set expgui_helplist($cmd) [string trim $help]
2986	}
2987	}
2988	# set up button bar
2989	foreach cmd $expgui(buttonlist) {
2990	set action {}
2991	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2992	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2993	if {$action != ""} {
2994	pack [eval button .bar.$cmd -bg beige \
2995	-text $cmd -command [list [subst $action]]] -side left
2996	}
2997	}
2998
2999	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3000	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3001
3002
3003	# handle indirect exits
3004	wm protocol . WM_DELETE_WINDOW catchQuit
3005	bind . <Control-c> catchQuit
3006
3007	set expgui(curPhase) ""
3008	set expgui(pagenow) ""
3009	set expgui(curhist) {}
3010	set expgui(selectedatomlist) {}
3011
3012	loadexp $expgui(expfile)
3013
3014	# select the 1st phase
3015	SelectOnePhase [lindex $expmap(phaselist) 0]
3016	# select the first histogram in the list by default (if there are any)
3017	if {[llength $expmap(histlistboxcontents)] > 0} {
3018	set expgui(curhist) 0
3019	} else {
3020	set expgui(curhist) {}
3021	}
3022
3023	# execute any local commands for final initialization
3024	eval $expgui(initstring)
3025
3026	# resize the notebook to fit all the tabs and the largest page
3027	if {!$expgui(havetix)} {
3028	Notebook:resize .n
3029	}
3030	RaisePage lsFrame
3031	if {[CountHistory] > 100} {
3032	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3033	}

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