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source: trunk/expgui @ 97

Last change on this file since 97 was 97, checked in by toby, 14 years ago
# on 1999/07/22 20:04:23, toby did: clear atom box etc when loading an "empty" .EXP file avoid DisplayProfile? error when loading an "empty" .EXP file
Property rcs:author set to `toby` Property rcs:date set to `1999/07/22 20:04:23` Property rcs:lines set to `+9 -6` Property rcs:rev set to `1.17` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 107.9 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 97 2009-12-04 23:00:21Z toby $
3	set expgui(Revision) {$Revision: 97 $ $Date: 2009-12-04 23:00:21 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from
9	#
10	# fixup documentation and you are done!
11	#
12	# global background editing & profile work differently: should both
13	# start out blank with a "load from option"?
14	#
15	# idea:
16	# a scroll list for all histogram refinement flags ; click on takes you to the
17	# appropriate menu.
18	#
19	# idea:
20	# change cell parameters to labels and have a edit cell button
21	# that enforces metric symmetry
22	#
23	# to allow "global" access on phase page
24	# change buttons from radio to multiple
25	# -- or display all 9 cell flag/damps and all atoms
26	# make editMultipleRecords work with multiple phases, also cell flag/damp
27	# blank cell entries
28	# add phase to atom number in listing
29	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
30
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	if {[file dirname $expgui(expfile)] == "."} {
43	set expgui(expfile) [string toupper $expgui(expfile)]
44	} else {
45	set expgui(expfile) [file join \
46	[file dirname $expgui(expfile)] \
47	[file tail [string toupper $expgui(expfile)]]
48	]
49	}
50	} else {
51	set expgui(expfile) {}
52	}
53
54	set expgui(debug) 0
55	catch {if $env(DEBUG) {set expgui(debug) 1}}
56	#set expgui(debug) 1
57
58	set expgui(havetix) 1
59	# for debugging non-Tix version set environment variable NOTIX
60	catch {if $env(NOTIX) {set expgui(havetix) 0}}
61	if $expgui(havetix) {
62	if [catch {package require Tix}] {set expgui(havetix) 0}
63	}
64	# default for archive mode = on
65	set expgui(archive) 1
66	# default for autoexec load = off
67	set expgui(autoexpload) 0
68	# save the name of the wish executable
69	set wishshell [info nameofexecutable]
70	# misc constants
71	set expgui(coordfont) "--courier-bold-r-normal--12-"
72	set expgui(histfont) "--courier-bold-r-normal--12-"
73	set liveplot(hst) 1
74	set liveplot(legend) 1
75	set expgui(filesort) 1
76	#=============================================================================
77	# Store names of profile terms.
78	array set expgui {
79	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
80	sig-2 rsca s1ec s2ec }
81	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
82	gam-2 switch ptec stec difc difa zero }
83	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
84	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
85	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
86	rstr rsta rsca eta}
87	prof-C-1 {CW-type U V W asym F1 F2 }
88	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
89	L11 L22 L33 L12 L13 L23 }
90	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
91	L11 L22 L33 L12 L13 L23 }
92	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
93	}
94	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
95	#----------------------------------------------------------------
96	# where are we?
97	set expgui(script) [info script]
98	# translate links -- go six levels deep
99	foreach i {1 2 3 4 5 6} {
100	if {[file type $expgui(script)] == "link"} {
101	set link [file readlink $expgui(script)]
102	if { [file pathtype $link] == "absolute" } {
103	set expgui(script) $link
104	} {
105	set expgui(script) [file dirname $expgui(script)]/$link
106	}
107	} else {
108	break
109	}
110	}
111	# fixup relative paths
112	if {[file pathtype $expgui(script)] == "relative"} {
113	set expgui(script) [file join [pwd] $expgui(script)]
114	}
115	set expgui(scriptdir) [file dirname $expgui(script) ]
116	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
117	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
118	#----------------------------------------------------------------
119	# fetch EXP file processing routines
120	source [file join $expgui(scriptdir) readexp.tcl]
121	# commands for running GSAS programs
122	source [file join $expgui(scriptdir) gsascmds.tcl]
123	# contents of GSAS menus
124	source [file join $expgui(scriptdir) gsasmenu.tcl]
125	# commands for adding phases, histograms & atoms
126	source [file join $expgui(scriptdir) addcmds.tcl]
127	#---------------------------------------------------------------------------
128	# override options with locally defined values
129	if [file exists [file join $expgui(scriptdir) localconfig]] {
130	source [file join $expgui(scriptdir) localconfig]
131	}
132	if [file exists [file join ~ .gsas_config]] {
133	source [file join ~ .gsas_config]
134	}
135	if {$tcl_platform(platform) == "windows"} {
136	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
137	} else {
138	set expgui(exptool) [file join $expgui(gsasexe) exptool]
139	}
140	#---------------------------------------------------------------------------
141	if {$expgui(expfile) != ""} {
142	if ![file exists $expgui(expfile)] {
143	update
144	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
145	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
146	error 0 "Create" "Open other"]
147	if $ans {set expgui(expfile) {}}
148	}
149	}
150	if {$expgui(expfile) == ""} {
151	# center the parent window because the getExpFileName window
152	# will be centered above it.
153	wm withdraw .
154	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
155	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
156	wm geom . +$x+$y
157	wm deiconify .
158	# windows needed this update before when using tk_getOpenFile.
159	# I am not sure it is still needed.
160	update
161	#
162	set expgui(expfile) [getExpFileName old]
163	}
164	if {$expgui(expfile) == ""} exit
165	# you've been warned this .EXP does not exist!
166	if ![file exists $expgui(expfile)] {
167	# create an "empty" exp file
168	createexp $expgui(expfile) \
169	[getstring "title for experiment $expgui(expfile)" 60 0]
170	}
171	catch {cd [string trim [file dirname $expgui(expfile)]]}
172
173	#
174	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
175	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
176	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
177	# load exp file and set up dialogs
178	proc loadexp {expfile} {
179	global expgui expmap entryvar entrycmd
180	global exparray
181	catch {
182	unset exparray
183	}
184	expload $expfile
185	set expgui(changed) 0
186	mapexp
187	set expgui(expModifiedLast) [file mtime $expfile]
188	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
189	# set the window/icon title
190	wm title . $expfile
191	set expgui(titleunchanged) 1
192	wm iconname . [file tail $expfile]
193
194	# set the number of phases on the phase page
195	setphases
196
197	# disable the "global options" that don't make sense based
198	# on the histograms present
199	foreach num {1 2 3 4 5} {
200	set flag($num) 0
201	}
202	foreach h $expmap(powderlist) {
203	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
204	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
205	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
206	[histinfo $h lam2] != 0.0} {set flag(3) 1}
207	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
208	[histinfo $h lam2] == 0.0} {set flag(4) 1}
209	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
210	}
211	foreach num {1 2 3 4 5} \
212	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
213	"Energy Disp Xray"} {
214	if $flag($num) {
215	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
216	} else {
217	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
218	}
219	}
220	# disable traces on entryvar until we are ready
221	set entrycmd(trace) 0
222
223	# propogate changes on the least squares page
224	set entryvar(cycles) [expinfo cycles]
225	set entrycmd(cycles) "expinfo cycles"
226	set expgui(globalmode) 0
227	set expgui(printopt) "Print Options ([expinfo print])"
228	set entryvar(title) [expinfo title]
229	global printopts
230	foreach num [array names printopts] {
231	set entrycmd(printopt$num) "printsetting $num"
232	set entryvar(printopt$num) [printsetting $num]
233	}
234	# enable traces on entryvar
235	set entrycmd(trace) 1
236	# set fo extaction on LS page
237	SetupExtractHist
238
239	# update the histogram list & the page, if shown
240	sethistlist
241
242	# update the atoms display
243	# DisplayAllAtoms noreset
244	SelectOnePhase $expgui(curPhase)
245
246	# start checking for external changes
247	afterawhile
248	}
249
250	# called to reread the .EXP file
251	proc rereadexp {expfile} {
252	global expgui
253	if $expgui(changed) {
254	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
255	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
256	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
257	switch $decision {
258	0 { savearchiveexp }
259	1 { }
260	2 { return }
261	}
262	}
263	loadexp $expgui(expfile)
264	}
265
266	proc SaveAsFile {} {
267	global expgui
268	set newexpfile [getExpFileName new]
269	if {$newexpfile == ""} return
270	expwrite $newexpfile
271	set expgui(expfile) $newexpfile
272	catch {cd [string trim [file dirname $expgui(expfile)]]}
273	set expgui(changed) 0
274	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
275	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
276	# set the window/icon title
277	wm title . $expgui(expfile)
278	set expgui(titleunchanged) 1
279	wm iconname . [file tail $expgui(expfile)]
280	}
281
282	# called to read a different .EXP file
283	proc readnewexp {} {
284	global expgui expmap
285	if $expgui(changed) {
286	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
287	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
288	{} 0 "Save and read" "Read without Save" "Cancel read command"]
289	switch $decision {
290	0 { savearchiveexp }
291	1 { }
292	2 { return }
293	}
294	}
295	set newexpfile [getExpFileName old]
296	if {$newexpfile == ""} return
297
298	if ![file exists $newexpfile] {
299	# you've been warned this .EXP does not exist!
300	# create an "empty" exp file
301	createexp $newexpfile \
302	[getstring "title for experiment $newexpfile" 60 0]
303	}
304	set expgui(expfile) $newexpfile
305	catch {cd [string trim [file dirname $expgui(expfile)]]}
306	loadexp $expgui(expfile)
307
308	# select the 1st phase
309	SelectOnePhase [lindex $expmap(phaselist) 0]
310	# select the first histogram in the list by default (if there are any)
311	if {[llength $expmap(histlistboxcontents)] > 0} {
312	set expgui(curhist) 0
313	} else {
314	set expgui(curhist) {}
315	}
316	if !$expgui(havetix) {
317	RaisePage lsFrame
318	} else {
319	.n raise lsPane
320	set expgui(pagenow) lsFrame
321	}
322	}
323
324	#------------- set up data read/write layer ----------------------
325	# trace routine on entryvar
326	proc entvartrace {array elem action} {
327	global expgui entrycmd entryvar
328	if !$entrycmd(trace) return
329
330	catch {
331	if {$entrycmd($elem) == ""} return
332	incr expgui(changed)
333	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
334	if {$entrycmd($elem) == ""} return
335	if [catch {
336	eval $entrycmd($elem) set [list $entryvar($elem)]
337	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
338	after idle {DisplayAllAtoms noreset}
339	}
340	} errmsg] {puts "entvartrace error: $errmsg"}
341	}
342	}
343
344	# disable traces on entryvar until we are ready
345	set entrycmd(trace) 0
346	trace variable entryvar w entvartrace
347
348	#
349	#
350	#
351	##############################################################################
352	##### #####################################################
353	##### PROCEDURES SECTION #####################################################
354	##### #####################################################
355	##############################################################################
356	# reset routine is used for debugging
357	proc reset {} {
358	global expgui script argv
359	set script $expgui(script)
360	set argv $expgui(expfile)
361	# remove traces
362	global entryvar
363	foreach cmd [trace vinfo entryvar] {
364	eval trace vdelete entryvar $cmd
365	}
366	global expgui
367	foreach cmd [trace vinfo expgui(backterms)] {
368	eval trace vdelete entryvar $cmd
369	}
370	foreach cmd [trace vinfo expgui(backtype)] {
371	eval trace vdelete entryvar $cmd
372	}
373	foreach a {
374	exparray expmap expgui entryvar entrycmd
375	expgui_menulist expgui_cmdlist expgui_helplist
376	} {
377	global $a
378	catch {unset $a}
379	}
380	foreach w [winfo children .] {
381	destroy $w
382	}
383
384	uplevel #0 {source $script}
385	}
386
387	# save some of the global options in ~/.gsas_config
388	proc SaveOptions {} {
389	global expgui env tcl_platform
390	set fp [open [file join ~ .gsas_config] a]
391	puts $fp "set expgui(archive) $expgui(archive)"
392	puts $fp "set expgui(asorttype) $expgui(asorttype)"
393	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
394	puts $fp "set expgui(filesort) $expgui(filesort)"
395	if {$tcl_platform(platform) != "windows"} {
396	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
397	}
398	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
399	close $fp
400	}
401
402	proc About { } {
403	global expgui expmap
404	tk_dialog .about {About...} \
405	"EXPGUI\n\
406	Jonathan Wasserman and Brian Toby\n\
407	NIST Center for Neutron Research\n\n\
408	1998, Not subject to copyright\n\n\
409	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
410	Generalized Structure Analysis System (GSAS)\n\
411	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
412	" \
413	info 0 OK
414	}
415
416	# wait until idle
417	proc afterawhile {} {
418	# cancel any other instances of this loop
419	after cancel afterawhile
420	after cancel whenidle
421	after cancel whenidle
422	after idle whenidle
423	}
424
425	proc whenidle {} {
426	global expgui
427	if $expgui(titleunchanged) {
428	if {$expgui(changed) != 0} {
429	wm title . "$expgui(expfile) (modified)"
430	set expgui(titleunchanged) 0
431	}
432	}
433	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast) && \
434	$expgui(expModifiedLast) != 0} {
435	if {$expgui(changed) == 0} {
436	set ans [tk_dialog .expFileErrorMsg "Reload?" \
437	"File [file tail $expgui(expfile)] has been modified by another program. \
438	Do you want to load the newer version or lose the modifications \
439	by editing the current version?" \
440	warning 0 "Load new" "Continue editing"]
441	} else {
442	set ans [tk_dialog .expFileErrorMsg "Reload?" \
443	"File [file tail $expgui(expfile)] has been modified by another program \
444	and you have made $expgui(changed) changes to this version. \
445	Do you want to load the newer version or lose the modifications \
446	by continuing to edit the current version?" \
447	warning 0 "Load new" "Continue editing" "Save edited version"]
448	}
449	if {$ans == 0} {
450	loadexp $expgui(expfile)
451	} elseif {$ans == 1} {
452	# reset the time to the next version
453	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
454	} elseif {$ans == 2} {
455	savearchiveexp
456	}
457	}
458	after 2000 afterawhile
459	}
460	# -------- called to confirm before exiting
461	proc catchQuit {} {
462	if {[confirmBeforeSave] == "Continue"} {
463	destroy .
464	}
465	}
466	# save the .EXP file before exiting?
467	proc confirmBeforeSave {} {
468	global expgui
469	if !$expgui(changed) {
470	return "Continue"
471	}
472	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
473	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
474	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
475	switch $decision {
476	0 { savearchiveexp; return "Continue" }
477	1 { return "Continue" }
478	2 { return "Cancel" }
479	}
480	}
481
482	proc archiveexp {} {
483	global expgui tcl_platform
484	catch {
485	set expnam [file rootname $expgui(expfile)]
486	if {$tcl_platform(platform) == "windows"} {
487	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
488	# archive w/o pkzip
489	set files [glob -nocomplain ${expnam}!*.EXP]
490	if {$files == ""} {
491	set num -1
492	} else {
493	set file [lindex [lsort -decreasing $files] 0]
494	regexp {!0*([0-9]+)\.EXP} [string toupper $file] a num
495	}
496	set file $expnam![format "%3.3d" [incr num]].EXP
497	file copy $expnam.EXP $file
498	set fp [open $expnam.lst a]
499	puts $fp "\n--------------------------------------------------------------"
500	puts $fp "Archiving $expnam.EXP as $file"
501	puts $fp "--------------------------------------------------------------\n"
502	close $fp
503	} else {
504	# archive with PKZIP
505	# need to limit expnam to 8 characters
506	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
507	# PKZIP can't handle long dir names either
508	cd [set dir [file dirname $expnam]]
509	set num -1
510	# get the versions from the listing
511	if [file exists $sexp.zip] {
512	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
513	while {[gets $fp line] >= 0} {
514	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
515	catch {if {$n > $num} {set num $n}}
516	}
517	close $fp
518	}
519	incr num
520	set file $sexp.[format "%3.3d" $num]
521	file copy -force $expnam.EXP $file
522	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
523	set fp [open $expnam.lst a]
524	puts $fp "\n--------------------------------------------------------------"
525	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
526	puts $fp "--------------------------------------------------------------\n"
527	close $fp
528	}
529	} else {
530	set files [glob -nocomplain $expnam.EXP.*]
531	if {$files == ""} {
532	set file $expnam.EXP.000
533	} else {
534	set file [lindex [lsort -decreasing $files] 0]
535	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
536	incr number
537	set file $expnam.EXP.[format "%3.3d" $number]
538	}
539	exec cp $expgui(expfile) $file
540	if [catch {exec gzip $file}] {
541	exec echo "\n----------------------------------------------" >> $expnam.LST
542	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
543	exec echo "----------------------------------------------\n" >> $expnam.LST
544	} else {
545	exec echo "\n----------------------------------------------" >> $expnam.LST
546	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
547	exec echo "----------------------------------------------\n" >> $expnam.LST
548	}
549	}
550	} errmsg
551	if {$errmsg != ""} {
552	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
553	}
554	}
555
556	# save and optionally archive the expfile
557	proc savearchiveexp {} {
558	global expgui expmap
559	if !$expgui(changed) return
560	if $expgui(archive) archiveexp
561	# add a history record
562	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
563	# now save the file
564	expwrite $expgui(expfile)
565	set expgui(changed) 0
566	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
567	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
568	wm title . $expgui(expfile)
569	set expgui(titleunchanged) 1
570	}
571
572	# set the number of phases on the phase page
573	proc setphases {} {
574	global expgui expmap
575	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
576	foreach num $expmap(phaselist) {
577	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
578	-command "SelectOnePhase $num"] -side left
579	}
580	}
581
582	# Procedure to respond to changes the phase.
583	# This loads the "phases" widgets with data corresponding to the selected phase.
584	proc SelectOnePhase {num} {
585	global entryvar entrycmd expmap expgui
586	foreach n $expmap(phaselist) {
587	if {$n == $num} {
588	$expgui(phaseFrame).top.ps.$num config -relief sunken
589	} else {
590	$expgui(phaseFrame).top.ps.$n config -relief raised
591	}
592	}
593	set crsPhase $num
594	# no phase is selected
595	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
596	# disable traces on entryvar
597	set entrycmd(trace) 0
598	set entrycmd(phasename) ""
599	set entryvar(phasename) ""
600	foreach ent {a b c alpha beta gamma cellref celldamp} {
601	set entrycmd($ent) ""
602	set entryvar($ent) ""
603	}
604	set expgui(curPhase) {}
605	# enable traces on entryvar
606	set entrycmd(trace) 1
607	$expgui(EditingAtoms) config -text ""
608	DisplayAtom 0 0
609	DisplayU 0 0
610	DisplayRefFlags 0 0
611	$expgui(atomlistbox) delete 0 end
612	return
613	}
614
615	set expgui(curPhase) $crsPhase
616	# we have a phase
617
618	# disable traces on entryvar for right now
619	set entrycmd(trace) 0
620
621	##########################################################
622	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
623	##########################################################
624	# phase title
625	set entrycmd(phasename) "phaseinfo $crsPhase name"
626	set entryvar(phasename) [phaseinfo $crsPhase name]
627	# cell parameters & flags
628	foreach ent {a b c alpha beta gamma cellref celldamp} {
629	set entrycmd($ent) "phaseinfo $crsPhase $ent"
630	set entryvar($ent) [phaseinfo $crsPhase $ent]
631	}
632
633	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
634	# initialize to diasbled
635	DisplayAtom 0 0
636	DisplayU 0 0
637	DisplayRefFlags 0 0
638	$expgui(EditingAtoms) config -text ""
639
640	DisplayAllAtoms
641
642	# enable traces on entryvar now
643	set entrycmd(trace) 1
644	}
645
646	set expgui(noreenterDisplayAllAtoms) 0
647	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
648	proc DisplayAllAtoms {"mode reset"} {
649	global entryvar entrycmd expmap expgui
650	# if it does not show, dont bother
651	if {$expgui(pagenow) != "phaseFrame"} return
652	if {$expgui(curPhase) == ""} return
653	if $expgui(noreenterDisplayAllAtoms) return
654
655	set expgui(noreenterDisplayAllAtoms) 1
656	if {$mode != "reset"} {
657	# save the scrolled position
658	set pos [lindex [$expgui(atomlistbox) yview] 0]
659	} else {
660	# this is a reset -- clear the selected atoms list
661	set expgui(selectedatomlist) {}
662	}
663	$expgui(atomlistbox) delete 0 end
664	# loop over atoms
665	set maxline I
666	set phase $expgui(curPhase)
667	set atomlist {}
668	if {$expgui(asorttype) == "type"} {
669	# sort on atom type
670	foreach atom $expmap(atomlist_$phase) {
671	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
672	}
673	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
674	} elseif {$expgui(asorttype) == "number"} {
675	# sort on atom number
676	foreach atom $expmap(atomlist_$phase) {
677	lappend atomlist "$atom $atom $phase"
678	}
679	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
680	} elseif {$expgui(asorttype) == "x"} {
681	# sort on x
682	foreach atom $expmap(atomlist_$phase) {
683	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
684	}
685	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
686	} elseif {$expgui(asorttype) == "y"} {
687	# sort on y
688	foreach atom $expmap(atomlist_$phase) {
689	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
690	}
691	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
692	} elseif {$expgui(asorttype) == "z"} {
693	# sort on z
694	foreach atom $expmap(atomlist_$phase) {
695	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
696	}
697	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
698	} else {
699	error "Bad expgui(asorttype = $expgui(asorttype)"
700	}
701
702	foreach tuple $expmap(atomlistboxcontents) {
703	set atom [lindex $tuple 0]
704	set phase [lindex $tuple 2]
705	set refflag {}
706	foreach type {x u f} {
707	if {[atominfo $phase $atom ${type}ref]} {
708	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
709	} else {
710	append refflag " [atominfo $phase $atom ${type}damp] "
711	}
712	}
713	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
714	$atom \
715	[atominfo $phase $atom label] \
716	[atominfo $phase $atom type] \
717	$refflag \
718	[atominfo $phase $atom x] \
719	[atominfo $phase $atom y] \
720	[atominfo $phase $atom z] \
721	[atominfo $phase $atom frac]
722	]
723	# add temperature factors (iso/anoiso)
724	if {[atominfo $phase $atom temptype] == "A"} {
725	set maxline A
726	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
727	[atominfo $phase $atom U11] \
728	[atominfo $phase $atom U22] \
729	[atominfo $phase $atom U33] \
730	[atominfo $phase $atom U12] \
731	[atominfo $phase $atom U23] \
732	[atominfo $phase $atom U13]
733	]
734	} else {
735	append line [format " %9.5f" \
736	[atominfo $phase $atom Uiso]
737	]
738	}
739	$expgui(atomlistbox) insert end $line
740	}
741	$expgui(atomtitle) delete 0 end
742	if {$maxline == "A"} {
743	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
744	" name " "type " "ref/damp " "fractional coordinates " \
745	" Occupancy" \
746	"Uiso/Uij "]
747	} else {
748	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
749	" name " "type " "ref/damp " "fractional coordinates " \
750	" Occupancy" \
751	"Uiso"]
752	}
753	if {$mode != "reset"} {
754	# restore the selected items
755	foreach i $expgui(selectedatomlist) {
756	$expgui(atomlistbox) selection set $i
757	}
758	# restore the last scrolled position
759	$expgui(atomlistbox) yview moveto $pos
760	}
761	set expgui(noreenterDisplayAllAtoms) 0
762	}
763
764	# Procedure to select all atoms in response to a right-click
765	proc SelectAllAtoms {} {
766	global expgui
767	$expgui(atomlistbox) selection set 0 end
768	# call editRecord in case trace was called before the selection was made
769	editRecord
770	}
771
772	# Procedure to respond to left mouse release in the atoms Pane
773	proc editRecord { args } {
774	global entrycmd expgui
775	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
776	# disable traces on entryvar for right now
777	set entrycmd(trace) 0
778
779	if {[llength $expgui(selectedatomlist)] == 0} {
780	puts "How did this happen: [$expgui(atomlistbox) curselection]"
781	} elseif {[llength $expgui(selectedatomlist)] == 1} {
782	editOneRecord $expgui(selectedatomlist)
783	} else {
784	editMultipleRecords $expgui(selectedatomlist)
785	}
786	# reenable traces on entryvar
787	set entrycmd(trace) 1
788	# repaint the atoms box in case anything was changed
789	# DisplayAllAtoms noreset
790	}
791
792	proc editOneRecord { AtomIndex } {
793	global expmap expgui
794	# get atom number & phase
795	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
796	set atomnum [lindex $tuple 0]
797	set p [lindex $tuple 2]
798	DisplayU $atomnum $p
799	DisplayAtom $atomnum $p
800	DisplayRefFlags $atomnum $p
801	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
802	}
803
804	# this will not work for a multi-phase list of atoms (yet)
805	proc editMultipleRecords { AtomIndexList } {
806	global expmap expgui
807	set numberList {}
808	# current phase
809	set p $expgui(curPhase)
810	foreach AtomIndex $AtomIndexList {
811	# get atom number & phase
812	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
813	lappend numberList [lindex $tuple 0]
814	# set p [lindex $tuple 2]
815	}
816	# this needs to track by phase
817	$expgui(EditingAtoms) config -text \
818	"Set refinement options: atoms [CompressList $numberList]"
819	DisplayU 0 0
820	DisplayAtom 0 0
821	# this needs to track by phase
822	DisplayRefFlags $numberList $p
823	}
824
825	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
826	# becomes "1-4,6,7,13-15,19"
827	proc CompressList {numberList} {
828	# format the number list to save space
829	set lastnum -99
830	set flist {}
831	set count 0
832	foreach num [lsort -integer $numberList] {
833	set next [expr $lastnum+1]
834	if {$num != $next} {
835	if {$count == 0 && $flist != ""} {
836	append flist ",$num"
837	} elseif {$count == 1 && $flist != ""} {
838	append flist ",$lastnum,$num"
839	} elseif {$flist != ""} {
840	append flist "-$lastnum,$num"
841	} else {
842	append flist "$num"
843	}
844	set lastnum $num
845	set count 0
846	} else {
847	incr count
848	incr lastnum
849	}
850	}
851	if {$count == 1 && $flist != ""} {
852	append flist ",$lastnum"
853	} elseif {$flist != "" && $count > 1} {
854	append flist "-$lastnum"
855	}
856	return $flist
857	}
858
859	# Procedure to display Isotropic or Anisotropic temperature factors
860	# Changes the display to one entry widget for Isotropic motion OR
861	# 6 entry widgets for Anisotropic motion in Frame3.
862	# or disables the widet entirly if atom = 0
863	proc DisplayU { atomnum p} {
864	global expgui entryvar entrycmd
865	if {$atomnum == 0} {
866	set iOrA disable
867	} else {
868	set iOrA [atominfo $p $atomnum temptype]
869	}
870
871	set firstbox [lindex $expgui(anisolabels) 0]
872	if { $iOrA == "A" } {
873	$firstbox config -text "U11 "
874	foreach item $expgui(anisolabels) {
875	$item config -fg black
876	}
877	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
878	set entrycmd($var) "atominfo $p $atomnum $var"
879	set entryvar($var) [eval $entrycmd($var)]
880	$item config -fg black -state normal -bg white
881	}
882	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
883	foreach item $expgui(anisolabels) {
884	# $item config -fg grey
885	$item config -fg beige
886	}
887	foreach item [lrange $expgui(anisoentry) 1 end] \
888	var {U22 U33 U12 U13 U23} {
889	set entrycmd($var) ""
890	set entryvar($var) ""
891	$item config -fg beige -bg beige -state disabled
892	}
893	if { $iOrA == "disable"} {
894	set entrycmd($var) ""
895	set entryvar($var) ""
896	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
897	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
898	} else {
899	set entrycmd(U11) "atominfo $p $atomnum Uiso"
900	set entryvar(U11) [eval $entrycmd(U11)]
901	$firstbox config -text Uiso -fg black
902	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
903	}
904	}
905	}
906
907	# need to think about multiple phases
908
909	# Procedure to display refinement flags
910	proc DisplayRefFlags { atomnum p} {
911	global expgui entryvar entrycmd
912	if {$atomnum == 0} {
913	foreach label $expgui(atomreflbl) {
914	$label config -fg beige
915	}
916	foreach entry $expgui(atomref) {
917	$entry config -state disabled -fg beige -bg beige
918	}
919	return
920	}
921	foreach label $expgui(atomreflbl) {
922	$label config -fg black
923	}
924	foreach entry $expgui(atomref) {
925	$entry config -state normal -fg black -bg beige
926	}
927	foreach var {xref uref fref xdamp udamp fdamp} {
928	set entrycmd($var) "atominfo $p [list $atomnum] $var"
929	set entryvar($var) [eval $entrycmd($var)]
930	}
931	}
932
933	# Procedure to display an atom in the atom edit boxes
934	proc DisplayAtom { atomnum p} {
935	global expgui entryvar entrycmd
936	if {$atomnum == 0} {
937	foreach label $expgui(atomlabels) {
938	$label config -fg beige
939	}
940	foreach entry $expgui(atomentry) {
941	$entry config -state disabled -fg beige -bg beige
942	}
943	return
944	}
945	foreach label $expgui(atomlabels) {
946	$label config -fg black
947	}
948	foreach entry $expgui(atomentry) {
949	$entry config -state normal -fg black -bg white
950	}
951	foreach var {x y z label frac } {
952	set entrycmd($var) "atominfo $p $atomnum $var"
953	set entryvar($var) [eval $entrycmd($var)]
954	}
955	}
956
957	# update the histogram list
958	# to do: show histogram ref flags?
959	proc sethistlist {} {
960	global expgui expmap
961	foreach lbox $expgui(HistSelectList) {
962	$lbox.title delete 0 end
963	$lbox.lbox delete 0 end
964	if {$expgui(globalmode) != 0} {
965	$lbox.lbox config -selectmode extended
966	} else {
967	$lbox.lbox config -selectmode browse
968	}
969	}
970	# disable the unallowed pages in all mode
971	if {$expgui(globalmode) == 6} {
972	foreach pair $expgui(GlobalModeAllDisable) {
973	if {$expgui(pagenow) == [lindex $pair 0]} {
974	if !$expgui(havetix) {
975	RaisePage lsFrame
976	} else {
977	.n raise lsPane
978	set expgui(pagenow) lsFrame
979	}
980	}
981	eval [lindex $pair 1] -state disabled
982	}
983	} else {
984	foreach pair $expgui(GlobalModeAllDisable) {
985	eval [lindex $pair 1] -state normal
986	}
987	}
988	set histlist {}
989	if {$expgui(hsorttype) == "type"} {
990	# sort on histogram type
991	foreach h [lsort -integer -increasing $expmap(powderlist)] {
992	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
993	}
994	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
995	} elseif {$expgui(hsorttype) == "number"} {
996	# sort on histogram number
997	foreach h [lsort -integer -increasing $expmap(powderlist)] {
998	lappend histlist "$h $h"
999	}
1000	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1001	} elseif {$expgui(hsorttype) == "bank"} {
1002	# sort on original bank number
1003	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1004	lappend histlist "$h [histinfo $h bank]"
1005	}
1006	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1007	} elseif {$expgui(hsorttype) == "angle"} {
1008	# sort on wavelength (CW) or angle (E disp.)
1009	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1010	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1011	set det [format %8.2f [histinfo $h tofangle]]
1012	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1013	set det [format %8.5f [histinfo $h lam1]]
1014	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1015	set det [format %8.2f [histinfo $h lam1]]
1016	} else {
1017	set det {}
1018	}
1019	lappend histlist "$h $det"
1020	}
1021	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1022	}
1023
1024	# title field needs to match longest title
1025	foreach lbox $expgui(HistSelectList) {
1026	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1027	"h#" \
1028	type \
1029	bank \
1030	"ang/wave" \
1031	" title" \
1032	]
1033	}
1034	foreach tuple $expmap(histlistboxcontents) {
1035	set h [lindex $tuple 0]
1036
1037	if {$expgui(globalmode) == 1} {
1038	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1039	} elseif {$expgui(globalmode) == 2} {
1040	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1041	} elseif {$expgui(globalmode) == 3} {
1042	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1043	[histinfo $h lam2] == 0.0} continue
1044	} elseif {$expgui(globalmode) == 4} {
1045	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1046	[histinfo $h lam2] != 0.0} continue
1047	} elseif {$expgui(globalmode) == 5} {
1048	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1049	}
1050
1051	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1052	set det [format %8.2f [histinfo $h tofangle]]
1053	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1054	set det [format %8.5f [histinfo $h lam1]]
1055	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1056	set det [format %8.2f [histinfo $h lam1]]
1057	} else {
1058	set det {}
1059	}
1060	foreach lbox $expgui(HistSelectList) {
1061	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1062	$h \
1063	[string range $expmap(htype_$h) 1 2] \
1064	[histinfo $h bank] \
1065	$det \
1066	[string range [histinfo $h title] 0 66] \
1067	]
1068	}
1069	}
1070	foreach set $expgui(frameactionlist) {
1071	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1072	}
1073	}
1074
1075	#-----------------------------------------------------------------------
1076	# ----------- draw Histogram page
1077	#-----------------------------------------------------------------------
1078	proc DisplayHistogram {} {
1079	global expgui entrycmd entryvar expmap
1080
1081	# display the selected histograms
1082	$expgui(histFrame).hs.lbox selection clear 0 end
1083	foreach h $expgui(curhist) {
1084	$expgui(histFrame).hs.lbox selection set $h
1085	}
1086
1087	# disable traces on entryvar for right now
1088	set entrycmd(trace) 0
1089
1090	# get histogram list
1091	set histlist {}
1092	foreach item $expgui(curhist) {
1093	lappend histlist [lindex $expmap(powderlist) $item]
1094	}
1095	# must have at least one histogram selected here
1096	if {[llength $histlist] == 0} {
1097	set expgui(backtermlbl) ""
1098	set expgui(backtypelbl) ""
1099	foreach var {bref bdamp} {
1100	set entrycmd($var) ""
1101	set entryvar($var) ""
1102	}
1103	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1104	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1105	set expgui(bkglbl) ""
1106	eval destroy [grid slaves $expgui(diffBox)]
1107	set entrycmd(trace) 1
1108	return
1109	}
1110
1111	if {$expgui(globalmode) != 0} {
1112	set expgui(backtermlbl) ""
1113	set expgui(backtypelbl) ""
1114	foreach var {bref bdamp} {
1115	set entrycmd($var) "histinfo [list $histlist] $var"
1116	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1117	}
1118	} else {
1119	set hist $histlist
1120	set terms [histinfo $hist backterms]
1121	set expgui(backtermlbl) "($terms terms)"
1122	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1123	foreach var {bref bdamp} {
1124	set entrycmd($var) "histinfo $hist $var"
1125	set entryvar($var) [eval $entrycmd($var)]
1126	}
1127	}
1128	# Top box
1129	if {$expgui(globalmode) != 0} {
1130	$expgui(histFrame).top.txt config \
1131	-text "Selected Histograms: [CompressList $histlist]"
1132	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1133	set expgui(bkglbl) "Globally Edit Background"
1134	} else {
1135	grid forget $expgui(histFrame).top
1136	set expgui(bkglbl) "Edit Background"
1137	}
1138
1139	# diffractometer constants
1140	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1141	wref pref dcref daref ratref ttref zref } {
1142	set entrycmd($var) "histinfo [list $histlist] $var"
1143	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1144	}
1145
1146	eval destroy [grid slaves $expgui(diffBox)]
1147	if {$expgui(globalmode) == 0} {
1148	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1149	#------
1150	# TOF \|
1151	#------
1152	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1153	-column 1 -row 1
1154	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1155	-column 2 -row 1
1156	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1157	-column 3 -row 1 -sticky w
1158	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1159	-width 15 ] -column 4 -row 1
1160	#
1161	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1162	-column 1 -row 2
1163	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1164	-column 2 -row 2
1165	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1166	-column 3 -row 2
1167	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1168	-width 15 ] -column 4 -row 2
1169	#
1170	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1171	-column 3 -row 3
1172	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1173	-width 15 ] -column 4 -row 3
1174	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1175	-column 1 -row 3 -sticky w
1176	grid [ checkbutton $expgui(diffBox).rfDCzref \
1177	-variable entryvar(zref) ] -column 2 -row 3
1178	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1179	#---------------
1180	# CW - neutron \|
1181	#---------------
1182	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1183	-column 1 -row 1
1184	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1185	-column 2 -row 1
1186	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1187	-column 3 -row 1 -sticky w
1188	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1189	-width 15 ] -column 4 -row 1
1190	#
1191	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1192	-column 1 -row 3 -sticky w
1193	grid [ checkbutton $expgui(diffBox).rfDCzref \
1194	-variable entryvar(zref) ] -column 2 -row 3
1195	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1196	-column 3 -row 3
1197	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1198	-width 15 ] -column 4 -row 3
1199	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1200	[histinfo $hist lam2] == 0.0} {
1201	#--------------------------
1202	# CW - x-ray 1 wavelength \|
1203	#--------------------------
1204	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1205	-column 1 -row 1
1206	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1207	-column 2 -row 1
1208	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1209	-column 3 -row 1 -sticky w
1210	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1211	-width 15 ] -column 4 -row 1
1212	#
1213	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1214	-column 1 -row 3 -sticky w
1215	grid [ checkbutton $expgui(diffBox).rfDCzref \
1216	-variable entryvar(zref) ] -column 2 -row 3
1217	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1218	-column 3 -row 3
1219	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1220	-width 15 ] -column 4 -row 3
1221	#
1222	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1223	-column 1 -row 4 -sticky w
1224	grid [ checkbutton $expgui(diffBox).rfDCpref \
1225	-variable entryvar(pref) ] -column 2 -row 4
1226	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1227	-column 3 -row 4
1228	grid [ entry $expgui(diffBox).eDCpola \
1229	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1230	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1231	-column 5 -row 4
1232	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1233	-textvariable entryvar(ipola)] -column 6 -row 4
1234	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1235	#---------------------------
1236	# CW - x-ray 2 wavelengths \|
1237	#---------------------------
1238	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1239	-column 3 -row 1 -sticky w
1240	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1241	-width 15 ] -column 4 -row 1
1242	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1243	-width 15 ] -column 5 -row 1
1244	#
1245	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1246	-column 1 -row 2 -sticky w
1247	grid [ checkbutton $expgui(diffBox).rfDCrref \
1248	-variable entryvar(ratref) ] -column 2 -row 2
1249	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1250	-column 3 -row 2
1251	grid [ entry $expgui(diffBox).eDCkratio \
1252	-textvariable entryvar(kratio) \
1253	-width 15 ] -column 4 -row 2
1254	#
1255	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1256	-column 3 -row 3
1257	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1258	-width 15 ] -column 4 -row 3
1259	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1260	-column 1 -row 3 -sticky w
1261	grid [ checkbutton $expgui(diffBox).rfDCzref \
1262	-variable entryvar(zref) ] -column 2 -row 3
1263	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1264	-column 1 -row 4 -sticky w
1265	grid [ checkbutton $expgui(diffBox).rfDCpref \
1266	-variable entryvar(pref) ] -column 2 -row 4
1267	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1268	-column 3 -row 4
1269	grid [ entry $expgui(diffBox).eDCpola \
1270	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1271	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1272	-column 5 -row 4
1273	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1274	-textvariable entryvar(ipola)] -column 6 -row 4
1275	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1276	#-------------
1277	# ED - x-ray \|
1278	#-------------
1279	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1280	-column 1 -row 1
1281	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1282	-column 2 -row 1
1283	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1284	-column 3 -row 1 -sticky w
1285	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1286	-width 15 ] -column 4 -row 1
1287	#
1288	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1289	-column 1 -row 4 -sticky w
1290	grid [ checkbutton $expgui(diffBox).rfDCpref \
1291	-variable entryvar(pref) ] -column 2 -row 4
1292	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1293	-column 3 -row 4
1294	grid [ entry $expgui(diffBox).eDCpola \
1295	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1296	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1297	-column 5 -row 4
1298	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1299	-textvariable entryvar(ipola)] -column 6 -row 4
1300	}
1301	} elseif {$expgui(globalmode) == 1} {
1302	#-------------
1303	# Global TOF \|
1304	#-------------
1305	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1306	-column 1 -row 1
1307	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1308	-column 2 -row 1
1309	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1310	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1311	#
1312	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1313	-column 1 -row 2
1314	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1315	-column 2 -row 2
1316	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1317	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1318	#
1319	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1320	-column 1 -row 3 -sticky w
1321	grid [ checkbutton $expgui(diffBox).rfDCzref \
1322	-variable entryvar(zref) ] -column 2 -row 3
1323	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1324	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1325	} elseif {$expgui(globalmode) == 2} {
1326	#--------------------
1327	# Global CW neutron \|
1328	#--------------------
1329	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1330	-column 1 -row 1
1331	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1332	-column 2 -row 1
1333	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1334	-command "editglobalparm histinfo lam1 Wavelength"] \
1335	-column 3 -row 1
1336	#
1337	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1338	-column 1 -row 3 -sticky w
1339	grid [ checkbutton $expgui(diffBox).rfDCzref \
1340	-variable entryvar(zref) ] -column 2 -row 3
1341	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1342	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1343	} elseif {$expgui(globalmode) == 4} {
1344	#----------------------
1345	# Global CW mono xray \|
1346	#----------------------
1347	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1348	-column 1 -row 1
1349	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1350	-column 2 -row 1
1351	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1352	-command "editglobalparm histinfo lam1 Wavelength"] \
1353	-column 3 -row 1
1354	#
1355	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1356	-column 1 -row 3 -sticky w
1357	grid [ checkbutton $expgui(diffBox).rfDCzref \
1358	-variable entryvar(zref) ] -column 2 -row 3
1359	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1360	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1361	#
1362	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1363	-column 1 -row 4 -sticky w
1364	grid [ checkbutton $expgui(diffBox).rfDCpref \
1365	-variable entryvar(pref) ] -column 2 -row 4
1366	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1367	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1368	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1369	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1370	} elseif {$expgui(globalmode) == 3} {
1371	#------------------------
1372	# Global alpha 1,2 xray \|
1373	#------------------------
1374	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1375	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1376	-column 3 -row 1
1377	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1378	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1379	-column 4 -row 1
1380	#
1381	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1382	-column 1 -row 3 -sticky w
1383	grid [ checkbutton $expgui(diffBox).rfDCratref \
1384	-variable entryvar(ratref) ] -column 2 -row 3
1385	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1386	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1387	-column 3 -row 3
1388	#
1389	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1390	-column 1 -row 3 -sticky w
1391	grid [ checkbutton $expgui(diffBox).rfDCzref \
1392	-variable entryvar(zref) ] -column 2 -row 3
1393	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1394	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1395	#
1396	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1397	-column 1 -row 4 -sticky w
1398	grid [ checkbutton $expgui(diffBox).rfDCpref \
1399	-variable entryvar(pref) ] -column 2 -row 4
1400	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1401	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1402	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1403	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1404	} elseif {$expgui(globalmode) == 5} {
1405	#-----------------
1406	# Global ED xray \|
1407	#-----------------
1408	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1409	-column 1 -row 1
1410	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1411	-column 2 -row 1
1412	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1413	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1414	-column 3 -row 1
1415	#
1416	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1417	-column 1 -row 4 -sticky w
1418	grid [ checkbutton $expgui(diffBox).rfDCpref \
1419	-variable entryvar(pref) ] -column 2 -row 4
1420	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1421	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1422	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1423	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1424	}
1425	if {$expgui(globalmode) == 0} {
1426	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1427	-columnspan 2 -sticky e
1428	} else {
1429	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1430	-columnspan 2 -sticky e
1431	}
1432	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1433	-column 1 -row 1
1434	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1435	grid $expgui(diffBox).d.om -column 2 -row 1
1436	grid columnconfigure $expgui(diffBox) 9 -weight 1
1437	grid columnconfigure $expgui(diffBox) 0 -weight 1
1438	update idletasks
1439	# enable traces on entryvar now
1440	set entrycmd(trace) 1
1441	}
1442
1443	#-----------------------------------------------------------------------
1444	# populate the Scaling page
1445	#-----------------------------------------------------------------------
1446	proc DisplayFrac {} {
1447	global expgui entrycmd entryvar expmap
1448
1449	# display the selected histograms
1450	$expgui(fracFrame).hs.lbox selection clear 0 end
1451	foreach h $expgui(curhist) {
1452	$expgui(fracFrame).hs.lbox selection set $h
1453	}
1454
1455	# disable traces on entryvar
1456	set entrycmd(trace) 0
1457
1458	# get histogram list
1459	set histlist {}
1460	foreach item $expgui(curhist) {
1461	lappend histlist [lindex $expmap(powderlist) $item]
1462	}
1463
1464	# must have at least one histogram selected here
1465	if {[llength $histlist] == 0} {
1466	foreach var {scale sref sdamp} {
1467	set entrycmd($var) ""
1468	set entryvar($var) ""
1469	}
1470	set parm [grid info $expgui(scaleBox).but1]
1471	if {$parm != ""} {
1472	grid forget $expgui(scaleBox).but1
1473	eval grid $expgui(scaleBox).ent1 $parm
1474	}
1475	# destroy the contents of the frame
1476	set phaseFractf1 $expgui(FracBox).f
1477	eval destroy [grid slaves $phaseFractf1]
1478	# reenable traces on entryvar
1479	set entrycmd(trace) 1
1480	return
1481	}
1482
1483	#--------------
1484	# Scale factor
1485	#--------------
1486	if {$expgui(globalmode) != 0} {
1487	foreach var {scale sref sdamp} {
1488	set entrycmd($var) "histinfo [list $histlist] $var"
1489	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1490	}
1491	set parm [grid info $expgui(scaleBox).ent1]
1492	if {$parm != ""} {
1493	grid forget $expgui(scaleBox).ent1
1494	eval grid $expgui(scaleBox).but1 $parm
1495	}
1496	} else {
1497	set hist $histlist
1498	foreach var {scale sref sdamp} {
1499	set entrycmd($var) "histinfo $hist $var"
1500	set entryvar($var) [eval $entrycmd($var)]
1501	}
1502	set parm [grid info $expgui(scaleBox).but1]
1503	if {$parm != ""} {
1504	grid forget $expgui(scaleBox).but1
1505	eval grid $expgui(scaleBox).ent1 $parm
1506	}
1507	}
1508
1509	#----------------
1510	# Phase Fractions
1511	#----------------
1512	set phaseFractf1 $expgui(FracBox).f
1513	# destroy the contents of the frame
1514	eval destroy [grid slaves $phaseFractf1]
1515	if {$expgui(globalmode) != 0} {
1516	grid [label $phaseFractf1.txt -anchor center \
1517	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1518	-column 0 -row 0 -sticky news
1519	} else {
1520	grid [label $phaseFractf1.txt -anchor center \
1521	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1522	}
1523	# Create the frame inside the canvas, One frame for each Phase.
1524	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1525	foreach hist $histlist {
1526	foreach i $expmap(phaselist_$hist) {
1527	lappend phasehistlist($i) $hist
1528	}
1529	}
1530	foreach i {1 2 3 4 5 6 7 8 9} {
1531	if {[llength $phasehistlist($i)] == 0} continue
1532	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1533	grid $framePF -column 0 -row $i -sticky ew
1534	# Label Heading for each phase.
1535	if {$expgui(globalmode) != 0} {
1536	grid [label $framePF.l1 \
1537	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1538	-column 0 -row 0 -sticky nws
1539	grid [button $framePF.but1 -text "Set Globally" \
1540	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1541	[list $phasehistlist($i)] $i" \
1542	] -column 1 -row 0
1543	} else {
1544	grid [label $framePF.l1 -text "Phase $i fraction"] \
1545	-column 0 -row 0 -sticky nws
1546	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1547	-column 1 -row 0
1548	}
1549	set entrycmd(frac$i) "hapinfo $hist $i frac"
1550	set entryvar(frac$i) [hapinfo $hist $i frac]
1551	grid [label $framePF.l2 -text " Refine"] \
1552	-column 2 -row 0 -sticky nws
1553	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1554	-column 3 -row 0 -sticky nws
1555	set entrycmd(frref$i) "hapinfo $hist $i frref"
1556	set entryvar(frref$i) [hapinfo $hist $i frref]
1557	grid [label $framePF.l3 -text " Damping"] \
1558	-column 4 -row 0 -sticky nws
1559	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1560	0 1 2 3 4 5 6 7 8 9
1561	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1562	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1563	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1564	}
1565	# resize the scroll window to match the actual
1566	update idletasks
1567	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1568	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1569	update idletasks
1570	# enable traces on entryvar now
1571	set entrycmd(trace) 1
1572	}
1573
1574	#-----------------------------------------------------------------------
1575	# display the profile page
1576	#-----------------------------------------------------------------------
1577	proc DisplayProfile {} {
1578	global expgui entrycmd entryvar expmap
1579	$expgui(profFrame).hs.lbox selection clear 0 end
1580	foreach h $expgui(curhist) {
1581	$expgui(profFrame).hs.lbox selection set $h
1582	}
1583
1584	# destroy the contents of the frame
1585	eval destroy [grid slaves $expgui(ProfileBox).f]
1586
1587	if {$expgui(globalmode) == 0} {
1588	# must have at least one histogram selected here
1589	if {[llength $expgui(curhist)] == 0} return
1590	# disable traces on entryvar for right now
1591	set entrycmd(trace) 0
1592	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1593	# no defined histograms?
1594	if {$hist == ""} return
1595	# Create one frame for each Phase.
1596	set ind -1
1597	set htype [string range $expmap(htype_$hist) 2 2]
1598	foreach i $expmap(phaselist_$hist) {
1599	incr ind
1600	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1601	-column 0 -row $ind -sticky ew
1602	grid [frame $expgui(ProfileBox).f.$i.1] \
1603	-column 0 -row 0 -columnspan 10 -sticky ew
1604	# Label Heading for each phase.
1605	set ptype [string trim [hapinfo $hist $i proftype]]
1606	pack [label $expgui(ProfileBox).f.$i.1.l \
1607	-text "Phase $i -- type $ptype Damping"]\
1608	-side left
1609	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1610	0 1 2 3 4 5 6 7 8 9
1611	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1612	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1613	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1614	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1615	-text " Peak cutoff"]\
1616	-side left
1617	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1618	-width 10 -textvariable entryvar(pcut_$i)]\
1619	-side left
1620	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1621	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1622
1623	set col -1
1624	set row 1
1625	set nterms [hapinfo $hist $i profterms]
1626	set lbls {}
1627	catch {set lbls $expgui(prof-$htype-$ptype)}
1628	# for type 4, add extra terms depending on the cell type
1629	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1630	for { set num 1 } { $num <= $nterms } { incr num } {
1631	set term {}
1632	catch {set term [lindex $lbls $num]}
1633	if {$term == ""} {set term $num}
1634	incr col
1635	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1636	-row $row -column $col
1637	incr col
1638	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1639	-variable entryvar(pref${num}_$i)] -row $row -column $col
1640	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1641	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1642	incr col
1643	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1644	-textvariable entryvar(pterm${num}_$i)\
1645	-width 12] -row $row -column $col
1646	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1647	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1648	if {$col > 6} {set col -1; incr row}
1649	}
1650	}
1651	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1652	} else {
1653	# get histogram list
1654	set histlist {}
1655	foreach item $expgui(curhist) {
1656	lappend histlist [lindex $expmap(powderlist) $item]
1657	}
1658	# must have at least one histogram selected here
1659	if {[llength $histlist] == 0} return
1660	# disable traces on entryvar for right now
1661	set entrycmd(trace) 0
1662	# loop through histograms & phases, set up an array by type
1663	catch {unset ptypearray histarray phasearray}
1664	foreach hist $histlist {
1665	foreach i $expmap(phaselist_$hist) {
1666	set ptype [string trim [hapinfo $hist $i proftype]]
1667	lappend ptypearray(${ptype}_$i) $hist
1668	lappend histarray($ptype) $hist
1669	lappend phasearray($ptype) $i
1670	}
1671	}
1672
1673	set ptype ""
1674	set title ""
1675	set ind -1
1676	foreach key "[lsort [array names ptypearray]] 0_0" {
1677	# split key
1678	scan $key %d_%d type p
1679	# 1st time through
1680	if {$ptype == ""} {set ptype $type}
1681	if {$ptype == $type} {
1682	# we've seen this one before
1683	if {$title != ""} {append title "\n"}
1684	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1685	} else {
1686	set hist [lindex $histarray($ptype) 0]
1687	set phase [lindex $phasearray($ptype) 0]
1688	set nterms [hapinfo $hist $phase profterms]
1689	set htype [string range $expmap(htype_$hist) 2 2]
1690	set lbls $expgui(prof-$htype-$ptype)
1691	set i $ptype
1692	# Create one frame for this type
1693	incr ind
1694	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1695	-column 0 -row $ind -sticky ew
1696	grid [frame $expgui(ProfileBox).f.$i.0] \
1697	-column 0 -row 0 -columnspan 20 -sticky ew
1698	grid [label $expgui(ProfileBox).f.$i.0.0 \
1699	-text "Profile Type $ptype "] -row 0 -column 0
1700	grid [label $expgui(ProfileBox).f.$i.0.1 \
1701	-text $title -anchor w] -row 0 -column 1
1702	grid [frame $expgui(ProfileBox).f.$i.1] \
1703	-column 0 -row 1 -columnspan 20 -sticky ew
1704	grid [label $expgui(ProfileBox).f.$i.1.2 \
1705	-text "Damping"] -row 0 -column 2
1706	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1707	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1708	set entrycmd(pdamp_$ptype) "hapinfo \
1709	[list $histarray($ptype)] \
1710	[list $phasearray($ptype)] pdamp"
1711	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1712	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1713	grid [button $expgui(ProfileBox).f.$i.1.edit \
1714	-text "Global Edit" \
1715	-command "EditProfile [list $title] \
1716	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1717	] -row 0 -column 4 -sticky w
1718	# for type 4, add extra terms depending on the cell type
1719	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1720	set col -1
1721	set row 2
1722	for { set num 1 } { $num <= $nterms } { incr num } {
1723	set term {}
1724	catch {set term [lindex $lbls $num]}
1725	if {$term == ""} {set term $num}
1726	incr col
1727	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1728	-row $row -column $col
1729	incr col
1730	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1731	-variable entryvar(pref${num}_$i)] \
1732	-row $row -column $col
1733	set entrycmd(pref${num}_$i) "hapinfo \
1734	[list $histarray($ptype)] \
1735	[list $phasearray($ptype)] pref$num"
1736	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1737	if {$col > 10} {set col -1; incr row}
1738	}
1739	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1740	set ptype ""
1741	}
1742	}
1743	}
1744
1745	# resize the scroll window to match the actual
1746	update idletasks
1747	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1748	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1749	update idletasks
1750	# enable traces on entryvar now
1751	set entrycmd(trace) 1
1752	}
1753
1754	# profile labels for type 4 profile
1755	proc type4lbls {lbls nterms phase} {
1756	if {$nterms == 14} {
1757	# cubic
1758	lappend lbls S400 S220
1759	} elseif {$nterms == 15} {
1760	# hexagonal
1761	lappend lbls S400 S004 S202
1762	} elseif {$nterms == 16} {
1763	# tetragonal or rhombohedral
1764	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1765	# rhombohedral
1766	lappend lbls S400 S220 S310 S211
1767	} else {
1768	lappend lbls S400 S004 S220 S202
1769	}
1770	} elseif {$nterms == 18} {
1771	# orthorhombic
1772	lappend lbls S400 S040 S004 S220 S202 S022
1773	} elseif {$nterms == 21} {
1774	# monoclinic
1775	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1776	} elseif {$nterms == 25} {
1777	# triclinic
1778	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1779	S130 S301 S013 S211 S121 S112
1780	}
1781	return $lbls
1782	}
1783
1784	# process the bit settings in the print options
1785	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1786	proc printsetting {bitnum "action get" "value {}"} {
1787	global entryvar expgui
1788	if {$action == "get"} {
1789	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1790	} elseif $value {
1791	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1792	} else {
1793	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1794	}
1795	expinfo print set $newval
1796	set expgui(printopt) "Print Options ([expinfo print])"
1797	}
1798
1799	# need to respond to mouse presses -- control variable associated with extract Fobs
1800	# and set the LeBail extraction flags
1801	proc SetupExtractHist {} {
1802	global expgui entrycmd entryvar expmap
1803
1804	# display the selected histograms
1805	$expgui(lsFrame).hs.lbox selection clear 0 end
1806	foreach h $expgui(curhist) {
1807	$expgui(lsFrame).hs.lbox selection set $h
1808	}
1809
1810	# get histogram list
1811	set histlist {}
1812	foreach item $expgui(curhist) {
1813	set hist [lindex $expmap(powderlist) $item]
1814	if {$hist != ""} {lappend histlist $hist}
1815	}
1816	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1817	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1818	foreach phase {1 2 3 4 5 6 7 8 9} {
1819	$expgui(lsFrame).f1.a.l$phase config -fg grey
1820	set expgui(Fextract$phase) {}
1821	foreach item $expgui(ExtractSettingsRadiobuttons) {
1822	${item}$phase config -state disabled -bd 1
1823	}
1824	}
1825	} elseif {[llength $histlist] == 1} {
1826	# disable traces on entryvar
1827	set entrycmd(trace) 0
1828	set entryvar(fobsextract) [histinfo $histlist foextract]
1829	foreach phase {1 2 3 4 5 6 7 8 9} {
1830	# is the phase present?
1831	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1832	$expgui(lsFrame).f1.a.l$phase config -fg grey
1833	set expgui(Fextract$phase) {}
1834	foreach item $expgui(ExtractSettingsRadiobuttons) {
1835	${item}$phase config -state disabled -bd 1
1836	}
1837	} else {
1838	$expgui(lsFrame).f1.a.l$phase config -fg black
1839	foreach item $expgui(ExtractSettingsRadiobuttons) {
1840	${item}$phase config -state normal -bd 2
1841	}
1842	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1843	}
1844	}
1845	} elseif {[llength $histlist] > 1} {
1846	# disable traces on entryvar
1847	set entrycmd(trace) 0
1848	# multiple histograms need phases in any histogram
1849	foreach phase {1 2 3 4 5 6 7 8 9} {
1850	set gotphase($phase) 0
1851	}
1852	foreach hist $histlist {
1853	foreach phase $expmap(phaselist_$hist) {
1854	set gotphase($phase) 1
1855	}
1856	}
1857	foreach phase {1 2 3 4 5 6 7 8 9} {
1858	set expgui(Fextract$phase) {}
1859	if $gotphase($phase) {
1860	$expgui(lsFrame).f1.a.l$phase config -fg black
1861	foreach item $expgui(ExtractSettingsRadiobuttons) {
1862	${item}$phase config -state normal -bd 2
1863	}
1864	} else {
1865	$expgui(lsFrame).f1.a.l$phase config -fg grey
1866	foreach item $expgui(ExtractSettingsRadiobuttons) {
1867	${item}$phase config -state disabled -bd 1
1868	}
1869	}
1870	}
1871	}
1872	# reenable traces
1873	set entrycmd(trace) 1
1874	}
1875	# respond to a change in the fobs extraction method for a phase
1876	# force the main extraction flag on, if fobs extraction is selected for any phase
1877	proc HistExtractSet {phase} {
1878	global expgui entryvar expmap
1879	foreach item $expgui(curhist) {
1880	lappend histlist [lindex $expmap(powderlist) $item]
1881	}
1882	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1883	incr expgui(changed)
1884	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1885	}
1886	#---------------------------- Global Edit Functions ------------------------
1887	proc editbackground {} {
1888	global expgui expmap entrycmd
1889	set histlist {}
1890	foreach n $expgui(curhist) {
1891	lappend histlist [lindex $expmap(powderlist) $n]
1892	}
1893	if {[llength $histlist] == 0} return
1894
1895	set w .back
1896	catch {destroy $w}
1897	toplevel $w -bg beige
1898	if {$expgui(globalmode) != 0} {
1899	wm title $w "Edit Background"
1900	} else {
1901	wm title $w "Global Edit Background"
1902	}
1903
1904	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1905	] -side top -expand yes -fill both
1906	if {[llength $histlist] > 1} {
1907	grid [label $w.0.a \
1908	-text "Setting background terms for histograms [CompressList $histlist]" \
1909	-bg beige] -row 0 -column 0 -columnspan 10
1910	} else {
1911	grid [label $w.0.a \
1912	-text "Setting background terms for histogram $histlist" \
1913	-bg beige] -row 0 -column 0 -columnspan 10
1914	}
1915	set hist [lindex $histlist 0]
1916	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1917
1918	# disable traces on expgui(backtype) & expgui(backterms) now
1919	set entrycmd(trace) 0
1920
1921	# number of terms
1922	set expgui(backtype) [histinfo $hist backtype]
1923	set expgui(orig_backtype) $expgui(backtype)
1924	set expgui(prev_backtype) $expgui(backtype)
1925	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1926	grid $w.0.type -row 1 -column 1
1927	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1928
1929	# function type
1930	set expgui(backterms) [histinfo $hist backterms]
1931	set expgui(orig_backterms) $expgui(backterms)
1932	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1933	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1934	grid $w.0.terms -row 1 -column 3
1935	# enable traces on expgui(backtype) & expgui(backterms) now
1936	set entrycmd(trace) 1
1937
1938	#set background terms
1939	for {set num 1 } { $num <= 36 } { incr num } {
1940	set var "bterm$num"
1941	set expgui($var) {}
1942	set expgui(orig_$var) {}
1943	}
1944	if {[llength $histlist] == 1} {
1945	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1946	set var "bterm$num"
1947	set expgui($var) [histinfo $histlist $var]
1948	set expgui(orig_$var) $expgui($var)
1949	}
1950	}
1951
1952	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1953	-expand yes -fill both
1954	ShowBackTerms $w.1
1955
1956	set expgui(temp) {}
1957	pack [frame $w.b] -side top
1958	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1959	pack [button $w.b.3 -text Quit \
1960	-command "QuitEditBackground $w"] -side left
1961	bind $w <Return> "destroy $w"
1962
1963	# force the window to stay on top
1964	putoptop $w
1965
1966	focus $w.b.2
1967	tkwait window $w
1968	afterputontop
1969
1970	if {$expgui(temp) != ""} return
1971
1972	if {$expgui(orig_backtype) != $expgui(backtype)} {
1973	histinfo $histlist backtype set $expgui(backtype)
1974	incr expgui(changed)
1975	}
1976	if {$expgui(orig_backterms) != $expgui(backterms)} {
1977	histinfo $histlist backterms set $expgui(backterms)
1978	incr expgui(changed)
1979	}
1980	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1981	set var "bterm$num"
1982	if {$expgui(orig_$var) != $expgui($var)} {
1983	histinfo $histlist $var set $expgui($var)
1984	incr expgui(changed)
1985	}
1986	}
1987
1988	if {$expgui(globalmode) == 0} {
1989	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1990	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1991	}
1992	}
1993
1994	trace variable expgui(backterms) w ChangeBackTerms
1995	proc ChangeBackTerms {a b c} {
1996	global entrycmd expgui
1997	if !$entrycmd(trace) return
1998	ShowBackTerms .back.1
1999	}
2000
2001	trace variable expgui(backtype) w ChangeBackType
2002	# reset the terms to 1, 0, 0... when the number of terms increase
2003	proc ChangeBackType {a b c} {
2004	global entrycmd expgui
2005	if !$entrycmd(trace) return
2006	if {$expgui(prev_backtype) == $expgui(backtype)} return
2007	set expgui(prev_backtype) $expgui(backtype)
2008	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2009	set var "bterm$num"
2010	if {$num == 1} {
2011	set expgui($var) 1.0
2012	} else {
2013	set expgui($var) 0.0
2014	}
2015	}
2016	}
2017
2018	proc ShowBackTerms {w } {
2019	global expgui expmap
2020	# destroy the contents of the frame
2021	eval destroy [grid slaves $w]
2022	set histlist {}
2023	foreach n $expgui(curhist) {
2024	lappend histlist [lindex $expmap(powderlist) $n]
2025	}
2026	set widgetsPerRow 4
2027	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2028	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2029	set var "bterm$num"
2030	grid [label $w.l$num -text $num -bg beige] \
2031	-row $rows -column $cols -sticky nes
2032	incr cols
2033	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2034	] -row $rows -column $cols -sticky news
2035	incr cols
2036	}
2037	}
2038	}
2039
2040	proc QuitEditBackground {w} {
2041	global expgui
2042	# lets find out if anything changed
2043	set changed 0
2044	if {$expgui(orig_backtype) != $expgui(backtype)} {
2045	set changed 1
2046	}
2047	if {$expgui(orig_backterms) != $expgui(backterms)} {
2048	set changed 1
2049	}
2050	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2051	set var "bterm$num"
2052	if {$expgui(orig_$var) != $expgui($var)} {
2053	set changed 1
2054	break
2055	}
2056	}
2057	if $changed {
2058	set decision [tk_dialog .changes "Abandon Changes" \
2059	"You have made changes to the background. Ok to abandon changes?" \
2060	warning 0 Abandon Keep]
2061	if !$decision {
2062	set expgui(temp) "Quit"
2063	destroy $w
2064	}
2065	} else {
2066	set expgui(temp) "Quit"
2067	destroy $w
2068	}
2069	}
2070
2071	# this probably needs work
2072	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2073	global expgui expmap
2074	set w .global
2075	catch {destroy $w}
2076	toplevel $w -bg beige
2077	wm title $w "Edit Global Parameter"
2078	set expgui(temp) {}
2079	if {[llength $histlist] == 0} {
2080	set hist {}
2081	foreach n $expgui(curhist) {
2082	lappend hist [lindex $expmap(powderlist) $n]
2083	}
2084	} else {
2085	set hist $histlist
2086	}
2087	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2088	-side top -expand yes -fill both
2089	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2090	-bg beige] \
2091	-row 0 -column 0 -columnspan 10
2092	grid [entry $w.0.b -textvariable expgui(temp)] \
2093	-row 1 -column 0
2094
2095
2096	pack [frame $w.b] -side top
2097	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2098	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2099	bind $w <Return> "destroy $w"
2100
2101	# force the window to stay on top
2102	putontop $w
2103	focus $w.b.2
2104	tkwait window $w
2105	afterputontop
2106
2107	if {$expgui(temp) != ""} {
2108	foreach h $hist {
2109	if {$cmd == "histinfo"} {
2110	histinfo $h $variable set $expgui(temp)
2111	incr expgui(changed)
2112	if $expgui(debug) {
2113	puts "histinfo $h $variable set $expgui(temp)"
2114	}
2115	} elseif {$cmd == "hapinfo"} {
2116	hapinfo $h $phase $variable set $expgui(temp)
2117	incr expgui(changed)
2118	if $expgui(debug) {
2119	puts "hapinfo $phase $h $variable set $expgui(temp)"
2120	}
2121	} else {
2122	error "$cmd unimplemented"
2123	}
2124	}
2125	}
2126	}
2127
2128	proc EditProfile {title histlist phaselist} {
2129	global expgui expmap entrycmd
2130	set w .back
2131	catch {destroy $w}
2132	toplevel $w -bg beige
2133	wm title $w "Global Edit Profile"
2134	set hist [lindex $histlist 0]
2135	set phase [lindex $phaselist 0]
2136	set ptype [string trim [hapinfo $hist $phase proftype]]
2137	set htype [string range $expmap(htype_$hist) 2 2]
2138	set nterms [hapinfo $hist $phase profterms]
2139
2140	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2141	] -side top -expand yes -fill both
2142	grid [label $w.0.a \
2143	-text "Setting profile terms: $title" \
2144	-bg beige] -row 0 -column 0 -columnspan 10
2145	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2146
2147	# number of terms
2148	# set expgui(backtype) [histinfo $hist backtype]
2149	# set expgui(orig_backtype) $expgui(backtype)
2150	# set expgui(prev_backtype) $expgui(backtype)
2151	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2152	# grid $w.0.type -row 1 -column 1
2153
2154	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2155	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2156	set entrylist {}
2157	lappend entrylist "pcut $w.0.d"
2158
2159	set col -1
2160	set row 1
2161	set lbls $expgui(prof-$htype-$ptype)
2162	# for type 4, add extra terms depending on the cell type
2163	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2164	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2165	] -side top -expand yes -fill both
2166	for { set num 1 } { $num <= $nterms } { incr num } {
2167	set term {}
2168	catch {set term [lindex $lbls $num]}
2169	if {$term == ""} {set term $num}
2170	incr col
2171	grid [label $w.1.l${num} -text "$term" -bg beige] \
2172	-row $row -column $col
2173	incr col
2174	grid [entry $w.1.ent${num} \
2175	-width 14] -row $row -column $col
2176	lappend entrylist "pterm$num $w.1.ent${num}"
2177	if {$col > 6} {set col -1; incr row}
2178	}
2179	pack [frame $w.b] -side top
2180	pack [button $w.b.2 -text Set \
2181	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2182	[list $histlist] $w"] -side left
2183	pack [button $w.b.3 -text Quit \
2184	-command "QuitEditProfile $w [list $entrylist]"] -side left
2185	bind $w <Return> "destroy $w"
2186
2187	# force the window to stay on top
2188	putontop $w
2189	focus $w.b.2
2190	tkwait window $w
2191	afterputontop
2192	}
2193
2194	proc SetEditProfile {entrylist phaselist histlist w} {
2195	global expgui
2196	foreach item $entrylist {
2197	set value [ [lindex $item 1] get ]
2198	if {$value != ""} {
2199	hapinfo $histlist $phaselist [lindex $item 0] set $value
2200	incr expgui(changed)
2201	if $expgui(debug) {
2202	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2203	}
2204	}
2205	}
2206	destroy $w
2207	}
2208
2209	proc QuitEditProfile {w entrylist} {
2210	global expgui
2211	# lets find out if anything changed
2212	set changed 0
2213	foreach item $entrylist {
2214	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2215	}
2216	if $changed {
2217	set decision [tk_dialog .changes "Abandon Changes" \
2218	"You have made changes to the Profile. Ok to abandon changes?" \
2219	warning 0 Abandon Keep]
2220	if !$decision {destroy $w}
2221	} else {
2222	destroy $w
2223	}
2224	}
2225
2226	##############################################################################
2227	## #############################################
2228	## END OF THE PROCEDURES SECTION #############################################
2229	## #############################################
2230	##############################################################################
2231
2232	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2233	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2234	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2235	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2236	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2237	# A frame for menu items at top of display
2238	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2239	# Pack the menu frame.
2240	pack $expgui(fm) -fill x -side top -anchor n
2241
2242	# create a button bar
2243	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2244
2245	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2246	# & LS controls
2247	if $expgui(havetix) {
2248	pack [tixNoteBook .n] -expand yes -fill both
2249	.n add lsPane -label "LS Controls" -underline 0
2250	.n pageconfigure lsPane -raisecmd \
2251	"set expgui(pagenow) lsFrame; SetupExtractHist"
2252	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2253	.n add phasePane -label "Phase" -underline 0
2254	.n pageconfigure phasePane -raisecmd \
2255	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2256	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2257	.n add histPane -label "Histogram" -underline 0
2258	.n pageconfigure histPane -raisecmd \
2259	"set expgui(pagenow) histFrame; DisplayHistogram"
2260	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2261	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2262	.n add fracPane -label "Scaling" -underline 6
2263	.n pageconfigure fracPane -raisecmd \
2264	"set expgui(pagenow) fracFrame; DisplayFrac"
2265	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2266	.n add profPane -label Profile -underline 1
2267	.n pageconfigure profPane -raisecmd \
2268	"set expgui(pagenow) profFrame; DisplayProfile"
2269	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2270	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2271	# Finding the pathname to the subwidget frames.
2272	set expgui(phaseFrame) [.n subwidget phasePane]
2273	set expgui(histFrame) [.n subwidget histPane]
2274	set expgui(fracFrame) [.n subwidget fracPane]
2275	set expgui(profFrame) [.n subwidget profPane]
2276	set expgui(lsFrame) [.n subwidget lsPane]
2277	} else {
2278	pack [frame .frmbar] -side top -anchor w
2279	pack [frame .n] -anchor w -fill both -expand yes
2280	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2281	page {"LS Controls" Phase Histogram Scaling Profile } {
2282	pack [button .frmbar.$item -text $page -bd 2 \
2283	-command "RaisePage $item"] -side left
2284	set expgui($item) [frame .n.$item -relief flat]
2285	}
2286	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2287	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2288	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2289	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2290	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2291	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2292	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2293	}
2294
2295	# this is used in the non-tix notebook to bring up the selected frame
2296	proc RaisePage {nextpage} {
2297	global expgui
2298	set expgui(pagenow) $nextpage
2299	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2300	if {$item == $nextpage} {
2301	.frmbar.$item config -relief flat
2302	} else {
2303	.frmbar.$item config -relief raised
2304	}
2305	}
2306	# forget all other pages
2307	foreach child [pack slaves .n] {
2308	pack forget $child
2309	}
2310	pack .n.$nextpage -anchor w -fill both -expand yes
2311	foreach set $expgui(frameactionlist) {
2312	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2313	}
2314	}
2315	#----------------------------------------------------------------------------
2316	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2317	# Setup major frames here
2318	frame $expgui(phaseFrame).top
2319	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2320	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2321	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2322	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2323	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2324
2325	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2326	grid $frameLatt -sticky news -row 2 -column 0
2327	grid $fbig -sticky news -row 3 -column 0
2328	# give extra space to the atoms box
2329	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2330	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2331	grid $frame3 -sticky news -row 4 -column 0
2332	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2333	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2334	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2335	# this is where the buttons will go
2336	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2337
2338	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2339	-fg blue ] -column 1 -row 0 -sticky e
2340	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2341	-fg blue -width 45] -column 2 -row 0 -sticky e
2342	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2343	# ------------- Lattice Parameter Box ------------------
2344	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2345	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2346	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2347	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2348	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2349	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2350	set l1 [label $frameLatt.l1 -text "a"]
2351	set l2 [label $frameLatt.l2 -text "b"]
2352	set l3 [label $frameLatt.l3 -text "c"]
2353	set l4 [label $frameLatt.l4 -text a -font symbol]
2354	set l5 [label $frameLatt.l5 -text b -font symbol]
2355	set l6 [label $frameLatt.l6 -text g -font symbol]
2356	grid $e1 -column 1 -row 0 -padx 5
2357	grid $e2 -column 3 -row 0 -padx 5
2358	grid $e3 -column 5 -row 0 -padx 5
2359	grid $e4 -column 1 -row 1 -padx 5
2360	grid $e5 -column 3 -row 1 -padx 5
2361	grid $e6 -column 5 -row 1 -padx 5
2362	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2363	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2364	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2365	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2366	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2367	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2368
2369	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2370	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2371	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2372	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2373	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2374	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2375	if [file executable $expgui(exptool)] {
2376	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2377	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2378	grid columnconfig $frameLatt 0 -weight 1
2379	}
2380	#-------------- Begin Atom Coordinates Box ---------------------------------
2381	grid [listbox $fbig.title -height 1 -relief flat] \
2382	-row 0 -column 0 -sticky ew
2383	set expgui(atomtitle) $fbig.title
2384	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2385	grid [listbox $fbig.lbox -height 10 \
2386	-xscrollcommand " $fbig.bscr set"\
2387	-yscrollcommand " $fbig.rscr set"\
2388	] -row 1 -column 0 -sticky news
2389	set expgui(atomlistbox) $fbig.lbox
2390	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2391	grid [scrollbar $fbig.bscr -orient horizontal \
2392	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2393	] -row 2 -column 0 -sticky ew
2394	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2395	] -row 1 -column 1 -sticky ns
2396	# give extra space to the atoms box
2397	grid columnconfigure $fbig 0 -weight 1
2398	grid rowconfigure $fbig 1 -weight 1
2399
2400	proc move2boxes {boxlist args} {
2401	foreach listbox $boxlist {
2402	eval $listbox xview $args
2403	}
2404	}
2405	# BIND mouse in editbox
2406	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2407	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2408
2409	#-------------- End Atoms Section ---------------------------------
2410
2411	# --------------------------- Begin Edit Box -------------------------------
2412	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2413	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2414	if [file executable $expgui(exptool)] {
2415	button $frame3.newa -text "Add New Atom" \
2416	-command {MakeAddAtomsBox $expgui(curPhase)}
2417	grid $frame3.newa -column 11 -row 0
2418	}
2419
2420	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2421	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2422
2423	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2424	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2425	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2426	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2427	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2428	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2429
2430	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2431	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2432
2433	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2434	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2435	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2436	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2437	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2438	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2439	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2440	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2441	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2442
2443	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2444	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2445
2446	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2447	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2448
2449	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2450	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2451	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2452	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2453	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2454	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2455	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2456	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2457	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2458	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2459
2460	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2461	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2462	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2463	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2464	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2465	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2466	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2467	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2468
2469
2470	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2471	grid $f3f31 -column 0 -row 7 -columnspan 12
2472	set expgui(anisolabels) {}
2473	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2474	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2475	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2476	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2477	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2478	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2479
2480	set expgui(anisoentry) {}
2481	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2482	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2483	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2484	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2485	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2486	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2487
2488	set col 0
2489	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2490	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2491	incr col
2492	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2493	incr col
2494	}
2495	# --------------------------- End Edit Box --------------------------------
2496
2497	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2498	#-----------------------------------------------------------------------------
2499	#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
2500	grid [frame $expgui(histFrame).hs] \
2501	-column 0 -row 0 -rowspan 10 -sticky nsew
2502	grid columnconfigure $expgui(histFrame) 0 -weight 1
2503	grid rowconfigure $expgui(histFrame) 1 -weight 1
2504	grid rowconfigure $expgui(histFrame) 2 -weight 1
2505	grid rowconfigure $expgui(histFrame) 3 -weight 1
2506	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2507	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2508	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2509	-font $expgui(histfont) \
2510	-xscrollcommand "$expgui(histFrame).hs.x set" \
2511	-yscrollcommand "$expgui(histFrame).hs.y set" \
2512	] -row 1 -column 0 -sticky news
2513	lappend expgui(HistSelectList) $expgui(histFrame).hs
2514	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2515	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2516	] -row 2 -column 0 -sticky ew
2517	grid [scrollbar $expgui(histFrame).hs.y \
2518	-command "$expgui(histFrame).hs.lbox yview"] \
2519	-row 1 -column 1 -sticky ns
2520	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2521	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2522	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2523	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2524	DisplayHistogram
2525	}
2526	bind $expgui(histFrame).hs.lbox <Button-3> {
2527	if $expgui(globalmode) {
2528	$expgui(histFrame).hs.lbox selection set 0 end
2529	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2530	DisplayHistogram
2531	}
2532	}
2533
2534
2535	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2536	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2537	if $expgui(havetix) {
2538	foreach item {backBox diffBox} num {2 3} \
2539	title {Background "Diffractometer Constants"} {
2540	tixLabelFrame $expgui(histFrame).$item \
2541	-borderwidth 4 -width 600 -height 100 -label $title
2542	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2543	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2544	}
2545	} else {
2546	foreach item {backBox diffBox} num {1 2} \
2547	title {Background "Diffractometer Constants"} {
2548	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2549	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2550	set expgui($item) $expgui(histFrame).$item
2551	grid [label $expgui(histFrame).$item.title -text $title] \
2552	-row 0 -column 0 -columnspan 10 -sticky nw
2553	}
2554	}
2555	if [file executable $expgui(exptool)] {
2556	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2557	grid $expgui(histFrame).newh -column 1 -row 6
2558	}
2559
2560	# BACKGROUND information.
2561	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2562	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2563	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2564	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2565	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2566	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2567	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2568	-command editbackground] \
2569	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2570	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2571	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2572	-row 2 -column 1 -sticky news -padx 4 -pady 3
2573	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2574	-variable entryvar(bref) ] \
2575	-row 2 -column 2 -sticky news -padx 4 -pady 3
2576	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2577	-row 2 -column 3 -sticky w -padx 2 -pady 3
2578	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2579	grid $expgui(backBox).f1.om \
2580	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2581
2582	# DIFFRACTOMETER CONSTANTS SECTION
2583
2584	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2585	###############################################################################
2586	#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
2587
2588	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2589	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2590	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2591	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2592	-font $expgui(histfont) \
2593	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2594	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2595	] -row 1 -column 0 -sticky news
2596	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2597	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2598	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2599	] -row 2 -column 0 -sticky ew
2600	grid [scrollbar $expgui(fracFrame).hs.y \
2601	-command "$expgui(fracFrame).hs.lbox yview"] \
2602	-row 1 -column 1 -sticky ns
2603	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2604	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2605	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2606	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2607	DisplayFrac
2608	}
2609	bind $expgui(fracFrame).hs.lbox <Button-3> {
2610	if $expgui(globalmode) {
2611	$expgui(fracFrame).hs.lbox selection set 0 end
2612	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2613	DisplayFrac
2614	}
2615	}
2616	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2617	# Create a large canvas area containing a frame for each phase in the data set.
2618	# The canvas and vertical scrollbar are inside a frame called f1
2619	if $expgui(havetix) {
2620	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2621	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2622	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2623	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2624	} else {
2625	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2626	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2627	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2628	}
2629	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2630	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2631	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2632	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2633	button $expgui(scaleBox).but1 -text "Set Globally" \
2634	-command "editglobalparm histinfo scale {Scale Factor}"
2635
2636	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2637	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2638	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2639	-row 1 -column 3 -sticky news -padx 4 -pady 3
2640	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2641	-row 1 -column 4 -sticky w -padx 2 -pady 3
2642	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2643	grid $expgui(scaleBox).om \
2644	-row 1 -column 5 -sticky news -padx 4 -pady 3
2645	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2646
2647	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2648	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2649	-sticky news -row 1 -column 0
2650	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2651	-sticky ns -row 1 -column 1
2652
2653	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2654	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2655
2656	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2657	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2658	frame $expgui(FracBox).f -bd 0
2659	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2660
2661	# the rest of the page is created in DisplayFrac
2662	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2663	###############################################################################
2664	# 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
2665	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2666	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2667	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2668	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2669	-font $expgui(histfont) \
2670	-xscrollcommand "$expgui(profFrame).hs.x set" \
2671	-yscrollcommand "$expgui(profFrame).hs.y set" \
2672	] -row 1 -column 0 -sticky news
2673	lappend expgui(HistSelectList) $expgui(profFrame).hs
2674	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2675	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2676	] -row 2 -column 0 -sticky ew
2677	grid [scrollbar $expgui(profFrame).hs.y \
2678	-command "$expgui(profFrame).hs.lbox yview"] \
2679	-row 1 -column 1 -sticky ns
2680	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2681	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2682	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2683	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2684	DisplayProfile
2685	}
2686	bind $expgui(profFrame).hs.lbox <Button-3> {
2687	if $expgui(globalmode) {
2688	$expgui(profFrame).hs.lbox selection set 0 end
2689	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2690	DisplayProfile
2691	}
2692	}
2693
2694	# Create a large canvas area containing a frame for each phase in the data set.
2695	# The canvas and vertical scrollbar are inside a frame called f1
2696	pack [frame $expgui(profFrame).f1] -fill both -expand true
2697	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2698	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2699	-sticky news -row 0 -column 0
2700	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2701	-sticky ns -row 0 -column 1
2702
2703	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2704	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2705
2706	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2707	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2708	frame $expgui(ProfileBox).f -bd 0
2709	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2710
2711	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2712	##############################################################################
2713	# 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
2714	array set printopts {
2715	0 "Print the reciprocal metric tensor changes"
2716	1 "Print the correlation matrix"
2717	2 "Print the Least-Squares matrices and vectors"
2718	4 "Print the linear constraint matrices"
2719	5 "Print the applied shifts and shift factors"
2720	6 "Print the reciprocal metric tensor Var-Covar terms"
2721	7 "Print all parameters for each cycle"
2722	8 "Print summary shift/esd data after last cycle"
2723	9 "Print zero/unit pole figure constraint terms"
2724	}
2725	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2726	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2727	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2728	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2729	-font $expgui(histfont) \
2730	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2731	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2732	] -row 1 -column 0 -sticky news
2733	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2734	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2735	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2736	] -row 2 -column 0 -sticky ew
2737	grid [scrollbar $expgui(lsFrame).hs.y \
2738	-command "$expgui(lsFrame).hs.lbox yview"] \
2739	-row 1 -column 1 -sticky ns
2740	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2741	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2742	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2743	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2744	SetupExtractHist
2745	}
2746	bind $expgui(lsFrame).hs.lbox <Button-3> {
2747	if $expgui(globalmode) {
2748	$expgui(lsFrame).hs.lbox selection set 0 end
2749	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2750	SetupExtractHist
2751	}
2752	}
2753
2754	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2755	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2756	set row 0
2757	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2758	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2759	-textvariable expgui(last_History)] \
2760	-row $row -column 1 -columnspan 5 -sticky w
2761	incr row
2762	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2763	grid [entry $expgui(lsFrame).f1.tit2 \
2764	-textvariable entryvar(title) -width 48] \
2765	-row $row -column 1 -columnspan 5 -sticky w
2766	set entrycmd(title) "expinfo title"
2767
2768	incr row
2769	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2770	-row $row -column 0 -columnspan 2 -pady 3
2771	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2772	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2773	-textvariable entryvar(cycles)] -row 0 -column 1
2774	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2775	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2776	] -row $row -column 2
2777	menu $expgui(lsFrame).f1.lprint.menu
2778	foreach num [lsort [array names printopts]] {
2779	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2780	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2781	-variable entryvar(printopt$num)
2782	}
2783	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2784	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2785	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2786	incr row
2787	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2788	foreach num {1 2 3 4 5 6 7 8 9} {
2789	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2790	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2791	-command "HistExtractSet $num" \
2792	-variable expgui(Fextract$num) -value 0] \
2793	-row 2 -column $num
2794	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2795	-command "HistExtractSet $num" \
2796	-variable expgui(Fextract$num) -value 1] \
2797	-row 3 -column $num
2798	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2799	# -command "HistExtractSet $num" \
2800	# -variable expgui(Fextract$num) -value 2] \
2801	# -row 4 -column $num
2802	}
2803	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2804	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2805	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2806
2807	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2808	-column 0 -columnspan 11 -row 0
2809	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2810	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2811	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2812	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2813	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2814	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2815	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2816	#-------------------------------------------------------------------------
2817	#-------------------------------------------------------------------------
2818	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2819
2820	#---- file menu button
2821	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2822	menu $expgui(fm).file.menu
2823	if $expgui(debug) {
2824	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2825	-command "reset"
2826	}
2827	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2828	-command readnewexp
2829	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2830	-command savearchiveexp
2831	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2832	-command "SaveAsFile"
2833	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2834	-command {rereadexp $expgui(expfile)}
2835	#$expgui(fm).file.menu add command -label "Close" -underline 0
2836
2837	#---- help menu button
2838	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2839	menu $expgui(fm).help.menu
2840	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2841	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2842
2843	#---- options menu button
2844	menubutton $expgui(fm).option -text Options -underline 0 \
2845	-menu $expgui(fm).option.menu
2846	menu $expgui(fm).option.menu
2847
2848	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2849	-variable expgui(archive) -underline 0
2850
2851	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2852	-label "Sort atoms by"
2853
2854	set expgui(asorttype) number
2855	menu $expgui(fm).option.menu.asort
2856	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2857	-label number -value number -variable expgui(asorttype)
2858	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2859	-label type -value type -variable expgui(asorttype)
2860	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2861	-label x -value x -variable expgui(asorttype)
2862	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2863	-label y -value y -variable expgui(asorttype)
2864	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2865	-label z -value z -variable expgui(asorttype)
2866
2867
2868	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2869	-label "Sort histograms by"
2870
2871	set expgui(hsorttype) number
2872	menu $expgui(fm).option.menu.hsort
2873	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2874	-label number -value number -variable expgui(hsorttype)
2875	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2876	-label "Histogram type" -value type -variable expgui(hsorttype)
2877	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2878	-label "Bank #" -value bank -variable expgui(hsorttype)
2879	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2880	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2881
2882	#---- Global mode menu button
2883	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2884	-label "Multiple hist. selection"
2885	menu $expgui(fm).option.menu.editmode
2886	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2887	-variable expgui(globalmode) -underline 0 -value 0\
2888	-command sethistlist
2889	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2890	-variable expgui(globalmode) -underline 0 -value 6 \
2891	-command sethistlist
2892	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2893	-variable expgui(globalmode) -underline 0 -value 1 \
2894	-command sethistlist
2895	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2896	-variable expgui(globalmode) -underline 0 -value 2 \
2897	-command sethistlist
2898	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2899	-variable expgui(globalmode) -underline 0 -value 3 \
2900	-command sethistlist
2901	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2902	-variable expgui(globalmode) -underline 0 -value 4 \
2903	-command sethistlist
2904	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2905	-variable expgui(globalmode) -underline 0 -value 5 \
2906	-command sethistlist
2907	set expgui(globalmode) 0
2908
2909	if {$tcl_platform(platform) != "windows"} {
2910	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2911	-variable env(GSASBACKSPACE)
2912	}
2913	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
2914	-variable expgui(autoexpload)
2915
2916	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2917	-command "SaveOptions"
2918
2919	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2920
2921	foreach menu $expgui(menunames) {
2922	set m [string tolower $menu]
2923	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2924	-menu $expgui(fm).$m.menu] -side left
2925	menu $expgui(fm).$m.menu
2926	}
2927	pack $expgui(fm).help -side right -in $expgui(fm)
2928
2929	# add the commands in expgui_menulist
2930	foreach menu [array names expgui_menulist ] {
2931	foreach cmd $expgui_menulist($menu) {
2932	set action {}
2933	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2934	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2935	if {$action != "" && $action != "-"} {
2936	eval $expgui(fm).$menu.menu add command \
2937	-label $cmd -command [list [subst $action]]
2938	}
2939	}
2940	}
2941	# setup command help
2942	foreach cmd [array names expgui_cmdlist] {
2943	set help {}
2944	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2945	if {$help == ""} {
2946	if {$expgui(debug)} {puts "no help for $cmd"}
2947	} else {
2948	# remove
2949	regsub -all \x09 $help " " help
2950	# preserve blank lines
2951	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2952	regsub -all \x0A $help " " help
2953	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2954	regsub -all " +" $help " " help
2955	set expgui_helplist($cmd) [string trim $help]
2956	}
2957	}
2958	# set up button bar
2959	foreach cmd $expgui(buttonlist) {
2960	set action {}
2961	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2962	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2963	if {$action != ""} {
2964	pack [eval button .bar.$cmd -bg beige \
2965	-text $cmd -command [list [subst $action]]] -side left
2966	}
2967	}
2968
2969	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2970	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2971
2972
2973	# handle indirect exits
2974	wm protocol . WM_DELETE_WINDOW catchQuit
2975	bind . <Control-c> catchQuit
2976
2977	set expgui(curPhase) ""
2978	set expgui(pagenow) ""
2979	set expgui(curhist) {}
2980	set expgui(selectedatomlist) {}
2981
2982	loadexp $expgui(expfile)
2983
2984	# select the 1st phase
2985	SelectOnePhase [lindex $expmap(phaselist) 0]
2986	# select the first histogram in the list by default (if there are any)
2987	if {[llength $expmap(histlistboxcontents)] > 0} {
2988	set expgui(curhist) 0
2989	} else {
2990	set expgui(curhist) {}
2991	}
2992
2993	if !$expgui(havetix) {
2994	RaisePage lsFrame
2995	} else {
2996	.n raise lsPane
2997	set expgui(pagenow) lsFrame
2998	}

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