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source: trunk/expgui @ 56

Last change on this file since 56 was 48, checked in by toby, 14 years ago
# on 1999/02/02 17:26:27, toby did: fix typo in 1.8 update phase page on reload make sure that all set commands trigger the expgui(changed) flag
Property rcs:author set to `toby` Property rcs:date set to `1999/02/02 17:26:27` Property rcs:lines set to `+14 -4` Property rcs:rev set to `1.9` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 107.9 KB

Line
1	#!/usr/local/bin/wish
2	set expgui(Revision) {$Revision: 48 $ $Date: 2009-12-04 22:59:31 +0000 (Fri, 04 Dec 2009) $}
3
4	# to do:
5	#
6	# need to change heading and button label depending on where getExpFileName
7	# is called from
8	#
9	# fixup documentation and you are done!
10	#
11	# global background editing & profile work differently: should both
12	# start out blank with a "load from option"?
13	#
14	# idea:
15	# a scroll list for all histogram refinement flags ; click on takes you to the
16	# appropriate menu.
17	#
18	# to allow "global" access on phase page
19	# change buttons from radio to multiple
20	# -- or display all 9 cell flag/damps and all atoms
21	# make editMultipleRecords work with multiple phases, also cell flag/damp
22	# blank cell entries
23	# add phase to atom number in listing
24	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
25
26	if {$tcl_version < 8.0} {
27	tk_dialog .expFileErrorMsg "Version Error" \
28	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
29	exit
30	}
31
32	if {$argv != ""} {
33	set expgui(expfile) $argv
34	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
35	append expgui(expfile) ".EXP"
36	}
37	} else {
38	set expgui(expfile) {}
39	}
40
41	set expgui(debug) 0
42	catch {if $env(DEBUG) {set expgui(debug) 1}}
43	#set expgui(debug) 1
44
45	set expgui(havetix) 1
46	# for debugging non-Tix version set environment variable NOTIX
47	catch {if $env(NOTIX) {set expgui(havetix) 0}}
48	if $expgui(havetix) {
49	if [catch {package require Tix}] {set expgui(havetix) 0}
50	}
51	# default is archive = on
52	set expgui(archive) 1
53	# save the name of the wish executable
54	set wishshell [info nameofexecutable]
55	# misc constants
56	set expgui(coordfont) "--courier-bold-r-normal--12-"
57	set expgui(histfont) "--courier-bold-r-normal--12-"
58	set liveplot(hst) 1
59	set liveplot(legend) 1
60	set expgui(filesort) 1
61
62	#=============================================================================
63	# Store names of profile terms.
64	array set expgui {
65	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
66	sig-2 rsca s1ec s2ec }
67	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
68	gam-2 switch ptec stec difc difa zero }
69	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
70	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
71	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
72	rstr rsta rsca eta}
73	prof-C-1 {CW-type U V W asym F1 F2 }
74	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
75	L11 L22 L33 L12 L13 L23 }
76	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
77	L11 L22 L33 L12 L13 L23 }
78	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
79	}
80	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
81	#----------------------------------------------------------------
82	# where are we?
83	set expgui(script) [info script]
84	# translate links -- go six levels deep
85	foreach i {1 2 3 4 5 6} {
86	if {[file type $expgui(script)] == "link"} {
87	set link [file readlink $expgui(script)]
88	if { [file pathtype $link] == "absolute" } {
89	set expgui(script) $link
90	} {
91	set expgui(script) [file dirname $expgui(script)]/$link
92	}
93	} else {
94	break
95	}
96	}
97	# fixup relative paths
98	if {[file pathtype $expgui(script)] == "relative"} {
99	set expgui(script) [file join [pwd] $expgui(script)]
100	}
101	set expgui(scriptdir) [file dirname $expgui(script) ]
102	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
103	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
104	#----------------------------------------------------------------
105	# fetch EXP file processing routines
106	source [file join $expgui(scriptdir) readexp.tcl]
107	# commands for running GSAS programs
108	source [file join $expgui(scriptdir) gsascmds.tcl]
109	# contents of GSAS menus
110	source [file join $expgui(scriptdir) gsasmenu.tcl]
111	#---------------------------------------------------------------------------
112	# override options with locally defined values
113	if [file exists [file join $expgui(scriptdir) localconfig]] {
114	source [file join $expgui(scriptdir) localconfig]
115	}
116	if [file exists [file join ~ .gsas_config]] {
117	source [file join ~ .gsas_config]
118	}
119	#---------------------------------------------------------------------------
120	if {$expgui(expfile) != ""} {
121	if ![file exists $expgui(expfile)] {
122	update
123	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
124	"File $expgui(expfile) does not exist" error 0 "Create" "Open other"]
125	if $ans {set expgui(expfile) {}}
126	}
127	}
128	if {$expgui(expfile) == ""} {
129	# windows needs this update or focus gets screwed up after tk_getOpenFile
130	update
131	set expgui(expfile) [getExpFileName old]
132	}
133	if {$expgui(expfile) == ""} exit
134	# you've been warned this .EXP does not exist!
135	if ![file exists $expgui(expfile)] {
136	puts "creating $expgui(expfile)"
137	# create an "empty" exp file
138	createexp $expgui(expfile) \
139	[getstring "title for experiment $expgui(expfile)" 60 0]
140	}
141	catch {cd [string trim [file dirname $expgui(expfile)]]}
142
143	#
144	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
145	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
146	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
147	# load exp file and set up dialogs
148	proc loadexp {expfile} {
149	global expgui expmap entryvar entrycmd
150	global exparray
151	catch {
152	unset exparray
153	}
154	expload $expfile
155	set expgui(changed) 0
156	mapexp
157	set expgui(expModifiedLast) [file mtime $expfile]
158	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
159	# set the window/icon title
160	wm title . $expfile
161	set expgui(titleunchanged) 1
162	wm iconname . [file tail $expfile]
163
164	# set the number of phases on the phase page
165	setphases
166
167	# disable the "global options" that don't make sense based
168	# on the histograms present
169	foreach num {1 2 3 4 5} {
170	set flag($num) 0
171	}
172	foreach h $expmap(powderlist) {
173	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
174	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
175	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
176	[histinfo $h lam2] != 0.0} {set flag(3) 1}
177	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
178	[histinfo $h lam2] == 0.0} {set flag(4) 1}
179	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
180	}
181	foreach num {1 2 3 4 5} \
182	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
183	"Energy Disp Xray"} {
184	if $flag($num) {
185	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
186	} else {
187	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
188	}
189	}
190	# disable traces on entryvar until we are ready
191	set entrycmd(trace) 0
192
193	# propogate changes on the least squares page
194	set entryvar(cycles) [expinfo cycles]
195	set entrycmd(cycles) "expinfo cycles"
196	set expgui(globalmode) 0
197	set expgui(printopt) "Print Options ([expinfo print])"
198	set entryvar(title) [expinfo title]
199	global printopts
200	foreach num [array names printopts] {
201	set entrycmd(printopt$num) "printsetting $num"
202	set entryvar(printopt$num) [printsetting $num]
203	}
204	# enable traces on entryvar
205	set entrycmd(trace) 1
206	# set fo extaction on LS page
207	SetupExtractHist
208
209	# update the histogram list & the page, if shown
210	sethistlist
211
212	# update the atoms display
213	# DisplayAllAtoms noreset
214	SelectOnePhase $expgui(curPhase)
215
216	# start checking for external changes
217	afterawhile
218	}
219
220	# called to reread the .EXP file -- use after another program
221	# has changed the experiment file
222	proc rereadexp {expfile} {
223	global expgui
224	if $expgui(changed) {
225	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
226	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
227	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
228	switch $decision {
229	0 { savearchiveexp }
230	1 { }
231	2 { return }
232	}
233	}
234	loadexp $expgui(expfile)
235	}
236
237	proc CreateNewExp {} {
238	global expgui
239	set newexpfile [newexp]
240	if {$newexpfile == ""} return
241	# create an "empty" exp file
242	createexp $newexpfile \
243	[getstring "title for experiment $newexpfile" 60 0]
244	set expgui(expfile) $newexpfile
245	catch {cd [string trim [file dirname $expgui(expfile)]]}
246	loadexp $expgui(expfile)
247	}
248
249	proc SaveAsFile {} {
250	global expgui
251	set newexpfile [getExpFileName new]
252	if {$newexpfile == ""} return
253	set expgui(expfile) $newexpfile
254	catch {cd [string trim [file dirname $expgui(expfile)]]}
255	expwrite $expgui(expfile)
256	set expgui(changed) 0
257	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
258	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
259	# set the window/icon title
260	wm title . $expgui(expfile)
261	set expgui(titleunchanged) 1
262	wm iconname . [file tail $expgui(expfile)]
263	}
264
265	# called to read a different .EXP file
266	proc readnewexp {} {
267	global expgui expmap
268	if $expgui(changed) {
269	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
270	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
271	{} 0 "Save and read" "Read without Save" "Cancel read command"]
272	switch $decision {
273	0 { savearchiveexp }
274	1 { }
275	2 { return }
276	}
277	}
278	set newexpfile [getExpFileName old]
279	if {$newexpfile == ""} return
280	set expgui(expfile) $newexpfile
281	catch {cd [string trim [file dirname $expgui(expfile)]]}
282	loadexp $expgui(expfile)
283
284	# select the 1st phase
285	SelectOnePhase [lindex $expmap(phaselist) 0]
286	# select the first histogram in the list by default (if there are any)
287	if {[llength $expmap(histlistboxcontents)] > 0} {set expgui(curhist) 0}
288	if !$expgui(havetix) {
289	RaisePage lsFrame
290	} else {
291	.n raise lsPane
292	set expgui(pagenow) lsFrame
293	}
294	}
295
296	#------------- set up data read/write layer ----------------------
297	# trace routine on entryvar
298	proc entvartrace {array elem action} {
299	global expgui entrycmd entryvar
300	if !$entrycmd(trace) return
301
302	catch {
303	if {$entrycmd($elem) == ""} return
304	incr expgui(changed)
305	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
306	if {$entrycmd($elem) == ""} return
307	if [catch {
308	eval $entrycmd($elem) set [list $entryvar($elem)]
309	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
310	after idle {DisplayAllAtoms noreset}
311	}
312	} errmsg] {puts "entvartrace error: $errmsg"}
313	}
314	}
315
316	# disable traces on entryvar until we are ready
317	set entrycmd(trace) 0
318	trace variable entryvar w entvartrace
319
320	#
321	#
322	#
323	##############################################################################
324	##### #####################################################
325	##### PROCEDURES SECTION #####################################################
326	##### #####################################################
327	##############################################################################
328	# reset routine is used for debugging
329	proc reset {} {
330	global expgui script argv
331	set script $expgui(script)
332	set argv $expgui(expfile)
333	# remove traces
334	global entryvar
335	foreach cmd [trace vinfo entryvar] {
336	eval trace vdelete entryvar $cmd
337	}
338	global expgui
339	foreach cmd [trace vinfo expgui(backterms)] {
340	eval trace vdelete entryvar $cmd
341	}
342	foreach cmd [trace vinfo expgui(backtype)] {
343	eval trace vdelete entryvar $cmd
344	}
345	foreach a {
346	exparray expmap expgui entryvar entrycmd
347	expgui_menulist expgui_cmdlist expgui_helplist
348	} {
349	global $a
350	catch {unset $a}
351	}
352	foreach w [winfo children .] {
353	destroy $w
354	}
355
356	uplevel #0 {source $script}
357	}
358
359	# save some of the global options in ~/.gsas_config
360	proc SaveOptions {} {
361	global expgui env tcl_platform
362	set fp [open [file join ~ .gsas_config] a]
363	puts $fp "set expgui(archive) $expgui(archive)"
364	puts $fp "set expgui(asorttype) $expgui(asorttype)"
365	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
366	puts $fp "set expgui(filesort) $expgui(filesort)"
367	if {$tcl_platform(platform) != "windows"} {
368	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
369	}
370	close $fp
371	}
372
373	proc About { } {
374	global expgui expmap
375	tk_dialog .about {About...} \
376	"EXPGUI\n\
377	Jonathan Wasserman and Brian Toby\n\
378	NIST Center for Neutron Research\n\n\
379	1998, Not subject to copyright\n\n\
380	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
381	Generalized Structure Analysis System (GSAS)\n\
382	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
383	" \
384	info 0 OK
385	}
386
387	# wait until idle
388	proc afterawhile {} {
389	# cancel any other instances of this loop
390	after cancel afterawhile
391	after cancel whenidle
392	after cancel whenidle
393	after idle whenidle
394	}
395
396	proc whenidle {} {
397	global expgui
398	if $expgui(titleunchanged) {
399	if {$expgui(changed) != 0} {
400	wm title . "$expgui(expfile) (modified)"
401	set expgui(titleunchanged) 0
402	}
403	}
404	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
405	if {$expgui(changed) == 0} {
406	set ans [tk_dialog .expFileErrorMsg "Reload?" \
407	"File $expgui(expfile) has been modified by another program. \
408	Do you want to load the newer version or loose the modifications \
409	by editing the current version?" \
410	warning 0 "Load new" "Continue editing"]
411	} else {
412	set ans [tk_dialog .expFileErrorMsg "Reload?" \
413	"File $expgui(expfile) has been modified by another program \
414	and you have made $expgui(changed) changes to this version. \
415	Do you want to load the newer version or loose the modifications \
416	by continuing to edit the current version?" \
417	warning 0 "Load new" "Continue editing" "Save edited version"]
418	}
419	if {$ans == 0} {
420	loadexp $expgui(expfile)
421	} elseif {$ans == 1} {
422	# reset the time to the next version
423	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
424	} elseif {$ans == 2} {
425	savearchiveexp
426	}
427	}
428	after 2000 afterawhile
429	}
430	# -------- called to confirm before exiting
431	proc catchQuit {} {
432	if {[confirmBeforeSave] == "Continue"} {
433	destroy .
434	}
435	}
436	# save the .EXP file before exiting?
437	proc confirmBeforeSave {} {
438	global expgui
439	if !$expgui(changed) {
440	return "Continue"
441	}
442	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
443	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
444	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
445	switch $decision {
446	0 { savearchiveexp; return "Continue" }
447	1 { return "Continue" }
448	2 { return "Cancel" }
449	}
450	}
451
452	proc archiveexp {} {
453	global expgui tcl_platform
454	catch {
455	set expnam [file rootname $expgui(expfile)]
456	if {$tcl_platform(platform) == "windows"} {
457	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
458	# archive w/o pkzip
459	set files [glob -nocomplain ${expnam}!*.exp]
460	if {$files == ""} {
461	set num -1
462	} else {
463	set file [lindex [lsort -decreasing $files] 0]
464	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
465	}
466	set file $expnam![format "%3.3d" [incr num]].EXP
467	file copy $expnam.EXP $file
468	set fp [open $expnam.lst a]
469	puts $fp "\n--------------------------------------------------------------"
470	puts $fp "Archiving $expnam.EXP as $file"
471	puts $fp "--------------------------------------------------------------\n"
472	close $fp
473	} else {
474	# archive with PKZIP
475	# need to limit expnam to 8 characters
476	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
477	# PKZIP can't handle long dir names either
478	cd [set dir [file dirname $expnam]]
479	set num -1
480	# get the versions from the listing
481	if [file exists $sexp.zip] {
482	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
483	while {[gets $fp line] >= 0} {
484	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
485	catch {if {$n > $num} {set num $n}}
486	}
487	close $fp
488	}
489	incr num
490	set file $sexp.[format "%3.3d" $num]
491	file copy -force $expnam.EXP $file
492	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
493	set fp [open $expnam.lst a]
494	puts $fp "\n--------------------------------------------------------------"
495	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
496	puts $fp "--------------------------------------------------------------\n"
497	close $fp
498	}
499	} else {
500	set files [glob -nocomplain $expnam.EXP.*]
501	if {$files == ""} {
502	set file $expnam.EXP.000
503	} else {
504	set file [lindex [lsort -decreasing $files] 0]
505	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
506	incr number
507	set file $expnam.EXP.[format "%3.3d" $number]
508	}
509	exec cp $expgui(expfile) $file
510	if [catch {exec gzip $file}] {
511	exec echo "\n----------------------------------------------" >> $expnam.LST
512	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
513	exec echo "----------------------------------------------\n" >> $expnam.LST
514	} else {
515	exec echo "\n----------------------------------------------" >> $expnam.LST
516	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
517	exec echo "----------------------------------------------\n" >> $expnam.LST
518	}
519	}
520	} errmsg
521	if {$errmsg != ""} {
522	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
523	}
524	}
525
526	# save and optionally archive the expfile
527	proc savearchiveexp {} {
528	global expgui expmap
529	if !$expgui(changed) return
530	if $expgui(archive) archiveexp
531	# add a history record
532	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
533	# now save the file
534	expwrite $expgui(expfile)
535	set expgui(changed) 0
536	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
537	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
538	wm title . $expgui(expfile)
539	set expgui(titleunchanged) 1
540	}
541
542	# set the number of phases on the phase page
543	proc setphases {} {
544	global expgui expmap
545	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
546	foreach num $expmap(phaselist) {
547	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
548	-command "SelectOnePhase $num"] -side left
549	}
550	}
551
552	# Procedure to respond to changes the phase.
553	# This loads the "phases" widgets with data corresponding to the selected phase.
554	proc SelectOnePhase {num} {
555	global entryvar entrycmd expmap expgui
556	foreach n $expmap(phaselist) {
557	if {$n == $num} {
558	$expgui(phaseFrame).top.ps.$num config -relief sunken
559	} else {
560	$expgui(phaseFrame).top.ps.$n config -relief raised
561	}
562	}
563	set crsPhase $num
564	# no phase is selected
565	if {$crsPhase == ""} {
566	# disable traces on entryvar
567	set entrycmd(trace) 0
568	set entrycmd(phasename) ""
569	set entryvar(phasename) ""
570	foreach ent {a b c alpha beta gamma cellref celldamp} {
571	set entrycmd($ent) ""
572	set entryvar($ent) ""
573	}
574	# enable traces on entryvar
575	set entrycmd(trace) 1
576	return
577	}
578
579	set expgui(curPhase) $crsPhase
580	# we have a phase
581
582	# disable traces on entryvar for right now
583	set entrycmd(trace) 0
584
585	##########################################################
586	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
587	##########################################################
588	# phase title
589	set entrycmd(phasename) "phaseinfo $crsPhase name"
590	set entryvar(phasename) [phaseinfo $crsPhase name]
591	# cell parameters & flags
592	foreach ent {a b c alpha beta gamma cellref celldamp} {
593	set entrycmd($ent) "phaseinfo $crsPhase $ent"
594	set entryvar($ent) [phaseinfo $crsPhase $ent]
595	}
596
597	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
598	# initialize to diasbled
599	DisplayAtom 0 0
600	DisplayU 0 0
601	DisplayRefFlags 0 0
602	$expgui(EditingAtoms) config -text ""
603
604	DisplayAllAtoms
605
606	# enable traces on entryvar now
607	set entrycmd(trace) 1
608	}
609
610	set expgui(noreenterDisplayAllAtoms) 0
611	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
612	proc DisplayAllAtoms {"mode reset"} {
613	global entryvar entrycmd expmap expgui
614	# if it does not show, dont bother
615	if {$expgui(pagenow) != "phaseFrame"} return
616	if {$expgui(curPhase) == ""} return
617	if $expgui(noreenterDisplayAllAtoms) return
618
619	set expgui(noreenterDisplayAllAtoms) 1
620	if {$mode != "reset"} {
621	set selectlist [$expgui(atomlistbox) curselection]
622	set pos [lindex [$expgui(atomlistbox) yview] 0]
623	}
624	$expgui(atomlistbox) delete 0 end
625	# loop over atoms
626	set maxline I
627	set phase $expgui(curPhase)
628	set atomlist {}
629	if {$expgui(asorttype) == "type"} {
630	# sort on atom type
631	foreach atom $expmap(atomlist_$phase) {
632	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
633	}
634	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
635	} elseif {$expgui(asorttype) == "number"} {
636	# sort on atom number
637	foreach atom $expmap(atomlist_$phase) {
638	lappend atomlist "$atom $atom $phase"
639	}
640	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
641	} elseif {$expgui(asorttype) == "x"} {
642	# sort on x
643	foreach atom $expmap(atomlist_$phase) {
644	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
645	}
646	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
647	} elseif {$expgui(asorttype) == "y"} {
648	# sort on y
649	foreach atom $expmap(atomlist_$phase) {
650	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
651	}
652	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
653	} elseif {$expgui(asorttype) == "z"} {
654	# sort on z
655	foreach atom $expmap(atomlist_$phase) {
656	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
657	}
658	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
659	} else {
660	error "Bad expgui(asorttype = $expgui(asorttype)"
661	}
662
663	foreach tuple $expmap(atomlistboxcontents) {
664	set atom [lindex $tuple 0]
665	set phase [lindex $tuple 2]
666	set refflag {}
667	foreach type {x u f} {
668	if {[atominfo $phase $atom ${type}ref]} {
669	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
670	} else {
671	append refflag " [atominfo $phase $atom ${type}damp] "
672	}
673	}
674	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
675	$atom \
676	[atominfo $phase $atom label] \
677	[atominfo $phase $atom type] \
678	$refflag \
679	[atominfo $phase $atom x] \
680	[atominfo $phase $atom y] \
681	[atominfo $phase $atom z] \
682	[atominfo $phase $atom frac]
683	]
684	# add temperature factors (iso/anoiso)
685	if {[atominfo $phase $atom temptype] == "A"} {
686	set maxline A
687	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
688	[atominfo $phase $atom U11] \
689	[atominfo $phase $atom U22] \
690	[atominfo $phase $atom U33] \
691	[atominfo $phase $atom U12] \
692	[atominfo $phase $atom U23] \
693	[atominfo $phase $atom U13]
694	]
695	} else {
696	append line [format " %9.5f" \
697	[atominfo $phase $atom Uiso]
698	]
699	}
700	$expgui(atomlistbox) insert end $line
701	}
702	$expgui(atomtitle) delete 0 end
703	if {$maxline == "A"} {
704	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
705	" name " "type " "ref/damp " "fractional coordinates " \
706	" Occupancy" \
707	"Uiso/Uij "]
708	} else {
709	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
710	" name " "type " "ref/damp " "fractional coordinates " \
711	" Occupancy" \
712	"Uiso"]
713	}
714	if {$mode != "reset"} {
715	foreach i $selectlist {
716	$expgui(atomlistbox) selection set $i
717	$expgui(atomlistbox) yview moveto $pos
718	}
719	}
720	set expgui(noreenterDisplayAllAtoms) 0
721	}
722
723	# Procedure to select all atoms in response to a right-click
724	proc SelectAllAtoms {} {
725	global expgui
726	$expgui(atomlistbox) selection set 0 end
727	# just in case this was called at the wrong time:
728	editRecord
729	}
730
731	# Procedure to respond to left mouse release in the atoms Pane
732	proc editRecord { args } {
733	global entrycmd expgui
734	set selectIndex [$expgui(atomlistbox) curselection]
735	# disable traces on entryvar for right now
736	set entrycmd(trace) 0
737
738	if {[llength $selectIndex] == 0} {
739	puts "How did this happen: [$expgui(atomlistbox) curselection]"
740	} elseif {[llength $selectIndex] == 1} {
741	editOneRecord $selectIndex
742	} else {
743	editMultipleRecords $selectIndex
744	}
745	# reenable traces on entryvar
746	set entrycmd(trace) 1
747	# repaint the atoms box in case anything was changed
748	# DisplayAllAtoms noreset
749	}
750
751	proc editOneRecord { AtomIndex } {
752	global expmap expgui
753	# get atom number & phase
754	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
755	set atomnum [lindex $tuple 0]
756	set p [lindex $tuple 2]
757	DisplayU $atomnum $p
758	DisplayAtom $atomnum $p
759	DisplayRefFlags $atomnum $p
760	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
761	}
762
763	# this will not work for a multi-phase list of atoms (yet)
764	proc editMultipleRecords { AtomIndexList } {
765	global expmap expgui
766	set numberList {}
767	# current phase
768	set p $expgui(curPhase)
769	foreach AtomIndex $AtomIndexList {
770	# get atom number & phase
771	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
772	lappend numberList [lindex $tuple 0]
773	# set p [lindex $tuple 2]
774	}
775	# this needs to track by phase
776	$expgui(EditingAtoms) config -text \
777	"Set refinement options: atoms [CompressList $numberList]"
778	DisplayU 0 0
779	DisplayAtom 0 0
780	# this needs to track by phase
781	DisplayRefFlags $numberList $p
782	}
783
784	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
785	# becomes "1-4,6,7,13-15,19"
786	proc CompressList {numberList} {
787	# format the number list to save space
788	set lastnum -99
789	set flist {}
790	set count 0
791	foreach num [lsort -integer $numberList] {
792	set next [expr $lastnum+1]
793	if {$num != $next} {
794	if {$count == 0 && $flist != ""} {
795	append flist ",$num"
796	} elseif {$count == 1 && $flist != ""} {
797	append flist ",$lastnum,$num"
798	} elseif {$flist != ""} {
799	append flist "-$lastnum,$num"
800	} else {
801	append flist "$num"
802	}
803	set lastnum $num
804	set count 0
805	} else {
806	incr count
807	incr lastnum
808	}
809	}
810	if {$count == 1 && $flist != ""} {
811	append flist ",$lastnum"
812	} elseif {$flist != "" && $count > 1} {
813	append flist "-$lastnum"
814	}
815	return $flist
816	}
817
818	# Procedure to display Isotropic or Anisotropic temperature factors
819	# Changes the display to one entry widget for Isotropic motion OR
820	# 6 entry widgets for Anisotropic motion in Frame3.
821	# or disables the widet entirly if atom = 0
822	proc DisplayU { atomnum p} {
823	global expgui entryvar entrycmd
824	if {$atomnum == 0} {
825	set iOrA disable
826	} else {
827	set iOrA [atominfo $p $atomnum temptype]
828	}
829
830	set firstbox [lindex $expgui(anisolabels) 0]
831	if { $iOrA == "A" } {
832	$firstbox config -text "U11 "
833	foreach item $expgui(anisolabels) {
834	$item config -fg black
835	}
836	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
837	set entrycmd($var) "atominfo $p $atomnum $var"
838	set entryvar($var) [eval $entrycmd($var)]
839	$item config -fg black -state normal -bg white
840	}
841	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
842	foreach item $expgui(anisolabels) {
843	# $item config -fg grey
844	$item config -fg beige
845	}
846	foreach item [lrange $expgui(anisoentry) 1 end] \
847	var {U22 U33 U12 U13 U23} {
848	set entrycmd($var) ""
849	set entryvar($var) ""
850	$item config -fg beige -bg beige -state disabled
851	}
852	if { $iOrA == "disable"} {
853	set entrycmd($var) ""
854	set entryvar($var) ""
855	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
856	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
857	} else {
858	set entrycmd(U11) "atominfo $p $atomnum Uiso"
859	set entryvar(U11) [eval $entrycmd(U11)]
860	$firstbox config -text Uiso -fg black
861	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
862	}
863	}
864	}
865
866	# need to think about multiple phases
867
868	# Procedure to display refinement flags
869	proc DisplayRefFlags { atomnum p} {
870	global expgui entryvar entrycmd
871	if {$atomnum == 0} {
872	foreach label $expgui(atomreflbl) {
873	$label config -fg beige
874	}
875	foreach entry $expgui(atomref) {
876	$entry config -state disabled -fg beige -bg beige
877	}
878	return
879	}
880	foreach label $expgui(atomreflbl) {
881	$label config -fg black
882	}
883	foreach entry $expgui(atomref) {
884	$entry config -state normal -fg black -bg beige
885	}
886	foreach var {xref uref fref xdamp udamp fdamp} {
887	set entrycmd($var) "atominfo $p [list $atomnum] $var"
888	set entryvar($var) [eval $entrycmd($var)]
889	}
890	}
891
892	# Procedure to display an atom in the atom edit boxes
893	proc DisplayAtom { atomnum p} {
894	global expgui entryvar entrycmd
895	if {$atomnum == 0} {
896	foreach label $expgui(atomlabels) {
897	$label config -fg beige
898	}
899	foreach entry $expgui(atomentry) {
900	$entry config -state disabled -fg beige -bg beige
901	}
902	return
903	}
904	foreach label $expgui(atomlabels) {
905	$label config -fg black
906	}
907	foreach entry $expgui(atomentry) {
908	$entry config -state normal -fg black -bg white
909	}
910	foreach var {x y z label frac } {
911	set entrycmd($var) "atominfo $p $atomnum $var"
912	set entryvar($var) [eval $entrycmd($var)]
913	}
914	}
915
916	# update the histogram list
917	# to do: show histogram ref flags?
918	proc sethistlist {} {
919	global expgui expmap
920	foreach lbox $expgui(HistSelectList) {
921	$lbox.title delete 0 end
922	$lbox.lbox delete 0 end
923	if {$expgui(globalmode) != 0} {
924	$lbox.lbox config -selectmode extended
925	} else {
926	$lbox.lbox config -selectmode browse
927	}
928	}
929	# disable the unallowed pages in all mode
930	if {$expgui(globalmode) == 6} {
931	foreach pair $expgui(GlobalModeAllDisable) {
932	if {$expgui(pagenow) == [lindex $pair 0]} {
933	if !$expgui(havetix) {
934	RaisePage lsFrame
935	} else {
936	.n raise lsPane
937	set expgui(pagenow) lsFrame
938	}
939	}
940	eval [lindex $pair 1] -state disabled
941	}
942	} else {
943	foreach pair $expgui(GlobalModeAllDisable) {
944	eval [lindex $pair 1] -state normal
945	}
946	}
947	set histlist {}
948	if {$expgui(hsorttype) == "type"} {
949	# sort on histogram type
950	foreach h [lsort -integer -increasing $expmap(powderlist)] {
951	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
952	}
953	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
954	} elseif {$expgui(hsorttype) == "number"} {
955	# sort on histogram number
956	foreach h [lsort -integer -increasing $expmap(powderlist)] {
957	lappend histlist "$h $h"
958	}
959	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
960	} elseif {$expgui(hsorttype) == "bank"} {
961	# sort on original bank number
962	foreach h [lsort -integer -increasing $expmap(powderlist)] {
963	lappend histlist "$h [histinfo $h bank]"
964	}
965	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
966	} elseif {$expgui(hsorttype) == "angle"} {
967	# sort on wavelength (CW) or angle (E disp.)
968	foreach h [lsort -integer -increasing $expmap(powderlist)] {
969	if {[string range $expmap(htype_$h) 2 2] == "T"} {
970	set det [format %8.2f [histinfo $h tofangle]]
971	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
972	set det [format %8.5f [histinfo $h lam1]]
973	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
974	set det [format %8.2f [histinfo $h lam1]]
975	} else {
976	set det {}
977	}
978	lappend histlist "$h $det"
979	}
980	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
981	}
982
983	# title field needs to match longest title
984	foreach lbox $expgui(HistSelectList) {
985	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
986	"h#" \
987	type \
988	bank \
989	"ang/wave" \
990	" title" \
991	]
992	}
993	foreach tuple $expmap(histlistboxcontents) {
994	set h [lindex $tuple 0]
995
996	if {$expgui(globalmode) == 1} {
997	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
998	} elseif {$expgui(globalmode) == 2} {
999	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1000	} elseif {$expgui(globalmode) == 3} {
1001	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1002	[histinfo $h lam2] == 0.0} continue
1003	} elseif {$expgui(globalmode) == 4} {
1004	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1005	[histinfo $h lam2] != 0.0} continue
1006	} elseif {$expgui(globalmode) == 5} {
1007	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1008	}
1009
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	foreach lbox $expgui(HistSelectList) {
1020	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1021	$h \
1022	[string range $expmap(htype_$h) 1 2] \
1023	[histinfo $h bank] \
1024	$det \
1025	[string range [histinfo $h title] 0 66] \
1026	]
1027	}
1028	}
1029	foreach set $expgui(frameactionlist) {
1030	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1031	}
1032	}
1033
1034	#-----------------------------------------------------------------------
1035	# ----------- draw Histogram page
1036	#-----------------------------------------------------------------------
1037	proc DisplayHistogram {} {
1038	global expgui entrycmd entryvar expmap
1039
1040	# display the selected histograms
1041	$expgui(histFrame).hs.lbox selection clear 0 end
1042	foreach h $expgui(curhist) {
1043	$expgui(histFrame).hs.lbox selection set $h
1044	}
1045
1046	# disable traces on entryvar for right now
1047	set entrycmd(trace) 0
1048
1049	# get histogram list
1050	set histlist {}
1051	foreach item $expgui(curhist) {
1052	lappend histlist [lindex $expmap(powderlist) $item]
1053	}
1054	# must have at least one histogram selected here
1055	if {[llength $histlist] == 0} {
1056	set expgui(backtermlbl) ""
1057	set expgui(backtypelbl) ""
1058	foreach var {bref bdamp} {
1059	set entrycmd($var) ""
1060	set entryvar($var) ""
1061	}
1062	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1063	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1064	set expgui(bkglbl) ""
1065	eval destroy [grid slaves $expgui(diffBox)]
1066	set entrycmd(trace) 1
1067	return
1068	}
1069
1070	if {$expgui(globalmode) != 0} {
1071	set expgui(backtermlbl) ""
1072	set expgui(backtypelbl) ""
1073	foreach var {bref bdamp} {
1074	set entrycmd($var) "histinfo [list $histlist] $var"
1075	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1076	}
1077	} else {
1078	set hist $histlist
1079	set terms [histinfo $hist backterms]
1080	set expgui(backtermlbl) "($terms terms)"
1081	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1082	foreach var {bref bdamp} {
1083	set entrycmd($var) "histinfo $hist $var"
1084	set entryvar($var) [eval $entrycmd($var)]
1085	}
1086	}
1087	# Top box
1088	if {$expgui(globalmode) != 0} {
1089	$expgui(histFrame).top.txt config \
1090	-text "Selected Histograms: [CompressList $histlist]"
1091	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1092	set expgui(bkglbl) "Globally Edit Background"
1093	} else {
1094	grid forget $expgui(histFrame).top
1095	set expgui(bkglbl) "Edit Background"
1096	}
1097
1098	# diffractometer constants
1099	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1100	wref pref dcref daref ratref ttref zref } {
1101	set entrycmd($var) "histinfo [list $histlist] $var"
1102	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1103	}
1104
1105	eval destroy [grid slaves $expgui(diffBox)]
1106	if {$expgui(globalmode) == 0} {
1107	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1108	#------
1109	# TOF \|
1110	#------
1111	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1112	-column 1 -row 1
1113	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1114	-column 2 -row 1
1115	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1116	-column 3 -row 1 -sticky w
1117	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1118	-width 15 ] -column 4 -row 1
1119	#
1120	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1121	-column 1 -row 2
1122	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1123	-column 2 -row 2
1124	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1125	-column 3 -row 2
1126	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1127	-width 15 ] -column 4 -row 2
1128	#
1129	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1130	-column 3 -row 3
1131	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1132	-width 15 ] -column 4 -row 3
1133	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1134	-column 1 -row 3 -sticky w
1135	grid [ checkbutton $expgui(diffBox).rfDCzref \
1136	-variable entryvar(zref) ] -column 2 -row 3
1137	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1138	#---------------
1139	# CW - neutron \|
1140	#---------------
1141	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1142	-column 1 -row 1
1143	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1144	-column 2 -row 1
1145	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1146	-column 3 -row 1 -sticky w
1147	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1148	-width 15 ] -column 4 -row 1
1149	#
1150	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1151	-column 1 -row 3 -sticky w
1152	grid [ checkbutton $expgui(diffBox).rfDCzref \
1153	-variable entryvar(zref) ] -column 2 -row 3
1154	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1155	-column 3 -row 3
1156	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1157	-width 15 ] -column 4 -row 3
1158	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1159	[histinfo $hist lam2] == 0.0} {
1160	#--------------------------
1161	# CW - x-ray 1 wavelength \|
1162	#--------------------------
1163	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1164	-column 1 -row 1
1165	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1166	-column 2 -row 1
1167	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1168	-column 3 -row 1 -sticky w
1169	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1170	-width 15 ] -column 4 -row 1
1171	#
1172	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1173	-column 1 -row 3 -sticky w
1174	grid [ checkbutton $expgui(diffBox).rfDCzref \
1175	-variable entryvar(zref) ] -column 2 -row 3
1176	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1177	-column 3 -row 3
1178	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1179	-width 15 ] -column 4 -row 3
1180	#
1181	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1182	-column 1 -row 4 -sticky w
1183	grid [ checkbutton $expgui(diffBox).rfDCpref \
1184	-variable entryvar(pref) ] -column 2 -row 4
1185	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1186	-column 3 -row 4
1187	grid [ entry $expgui(diffBox).eDCpola \
1188	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1189	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1190	-column 5 -row 4
1191	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1192	-textvariable entryvar(ipola)] -column 6 -row 4
1193	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1194	#---------------------------
1195	# CW - x-ray 2 wavelengths \|
1196	#---------------------------
1197	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1198	-column 3 -row 1 -sticky w
1199	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1200	-width 15 ] -column 4 -row 1
1201	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1202	-width 15 ] -column 5 -row 1
1203	#
1204	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1205	-column 1 -row 2 -sticky w
1206	grid [ checkbutton $expgui(diffBox).rfDCrref \
1207	-variable entryvar(ratref) ] -column 2 -row 2
1208	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1209	-column 3 -row 2
1210	grid [ entry $expgui(diffBox).eDCkratio \
1211	-textvariable entryvar(kratio) \
1212	-width 15 ] -column 4 -row 2
1213	#
1214	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1215	-column 3 -row 3
1216	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1217	-width 15 ] -column 4 -row 3
1218	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1219	-column 1 -row 3 -sticky w
1220	grid [ checkbutton $expgui(diffBox).rfDCzref \
1221	-variable entryvar(zref) ] -column 2 -row 3
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	-variable entryvar(zref) ] -column 2 -row 3
1235	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1236	#-------------
1237	# ED - x-ray \|
1238	#-------------
1239	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1240	-column 1 -row 1
1241	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1242	-column 2 -row 1
1243	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1244	-column 3 -row 1 -sticky w
1245	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1246	-width 15 ] -column 4 -row 1
1247	#
1248	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1249	-column 1 -row 4 -sticky w
1250	grid [ checkbutton $expgui(diffBox).rfDCpref \
1251	-variable entryvar(pref) ] -column 2 -row 4
1252	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1253	-column 3 -row 4
1254	grid [ entry $expgui(diffBox).eDCpola \
1255	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1256	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1257	-column 5 -row 4
1258	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1259	-textvariable entryvar(ipola)] -column 6 -row 4
1260	}
1261	} elseif {$expgui(globalmode) == 1} {
1262	#-------------
1263	# Global TOF \|
1264	#-------------
1265	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1266	-column 1 -row 1
1267	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1268	-column 2 -row 1
1269	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1270	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1271	#
1272	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1273	-column 1 -row 2
1274	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1275	-column 2 -row 2
1276	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1277	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1278	#
1279	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1280	-column 1 -row 3 -sticky w
1281	grid [ checkbutton $expgui(diffBox).rfDCzref \
1282	-variable entryvar(zref) ] -column 2 -row 3
1283	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1284	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1285	} elseif {$expgui(globalmode) == 2} {
1286	#--------------------
1287	# Global CW neutron \|
1288	#--------------------
1289	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1290	-column 1 -row 1
1291	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1292	-column 2 -row 1
1293	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1294	-command "editglobalparm histinfo lam1 Wavelength"] \
1295	-column 3 -row 1
1296	#
1297	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1298	-column 1 -row 3 -sticky w
1299	grid [ checkbutton $expgui(diffBox).rfDCzref \
1300	-variable entryvar(zref) ] -column 2 -row 3
1301	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1302	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1303	} elseif {$expgui(globalmode) == 4} {
1304	#----------------------
1305	# Global CW mono xray \|
1306	#----------------------
1307	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1308	-column 1 -row 1
1309	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1310	-column 2 -row 1
1311	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1312	-command "editglobalparm histinfo lam1 Wavelength"] \
1313	-column 3 -row 1
1314	#
1315	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1316	-column 1 -row 3 -sticky w
1317	grid [ checkbutton $expgui(diffBox).rfDCzref \
1318	-variable entryvar(zref) ] -column 2 -row 3
1319	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1320	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1321	#
1322	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1323	-column 1 -row 4 -sticky w
1324	grid [ checkbutton $expgui(diffBox).rfDCpref \
1325	-variable entryvar(pref) ] -column 2 -row 4
1326	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1327	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1328	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1329	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1330	} elseif {$expgui(globalmode) == 3} {
1331	#------------------------
1332	# Global alpha 1,2 xray \|
1333	#------------------------
1334	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1335	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1336	-column 3 -row 1
1337	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1338	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1339	-column 4 -row 1
1340	#
1341	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1342	-column 1 -row 3 -sticky w
1343	grid [ checkbutton $expgui(diffBox).rfDCratref \
1344	-variable entryvar(ratref) ] -column 2 -row 3
1345	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1346	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1347	-column 3 -row 3
1348	#
1349	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1350	-column 1 -row 3 -sticky w
1351	grid [ checkbutton $expgui(diffBox).rfDCzref \
1352	-variable entryvar(zref) ] -column 2 -row 3
1353	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1354	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1355	#
1356	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1357	-column 1 -row 4 -sticky w
1358	grid [ checkbutton $expgui(diffBox).rfDCpref \
1359	-variable entryvar(pref) ] -column 2 -row 4
1360	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1361	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1362	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1363	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1364	} elseif {$expgui(globalmode) == 5} {
1365	#-----------------
1366	# Global ED xray \|
1367	#-----------------
1368	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1369	-column 1 -row 1
1370	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1371	-column 2 -row 1
1372	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1373	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1374	-column 3 -row 1
1375	#
1376	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1377	-column 1 -row 4 -sticky w
1378	grid [ checkbutton $expgui(diffBox).rfDCpref \
1379	-variable entryvar(pref) ] -column 2 -row 4
1380	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1381	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1382	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1383	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1384	}
1385	if {$expgui(globalmode) == 0} {
1386	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1387	-columnspan 2 -sticky e
1388	} else {
1389	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1390	-columnspan 2 -sticky e
1391	}
1392	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1393	-column 1 -row 1
1394	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1395	grid $expgui(diffBox).d.om -column 2 -row 1
1396	grid columnconfigure $expgui(diffBox) 9 -weight 1
1397	grid columnconfigure $expgui(diffBox) 0 -weight 1
1398	update idletasks
1399	# enable traces on entryvar now
1400	set entrycmd(trace) 1
1401	}
1402
1403	#-----------------------------------------------------------------------
1404	# populate the Scaling page
1405	#-----------------------------------------------------------------------
1406	proc DisplayFrac {} {
1407	global expgui entrycmd entryvar expmap
1408
1409	# display the selected histograms
1410	$expgui(fracFrame).hs.lbox selection clear 0 end
1411	foreach h $expgui(curhist) {
1412	$expgui(fracFrame).hs.lbox selection set $h
1413	}
1414
1415	# disable traces on entryvar
1416	set entrycmd(trace) 0
1417
1418	# get histogram list
1419	set histlist {}
1420	foreach item $expgui(curhist) {
1421	lappend histlist [lindex $expmap(powderlist) $item]
1422	}
1423
1424	# must have at least one histogram selected here
1425	if {[llength $histlist] == 0} {
1426	foreach var {scale sref sdamp} {
1427	set entrycmd($var) ""
1428	set entryvar($var) ""
1429	}
1430	set parm [grid info $expgui(scaleBox).but1]
1431	if {$parm != ""} {
1432	grid forget $expgui(scaleBox).but1
1433	eval grid $expgui(scaleBox).ent1 $parm
1434	}
1435	# destroy the contents of the frame
1436	set phaseFractf1 $expgui(FracBox).f
1437	eval destroy [grid slaves $phaseFractf1]
1438	# reenable traces on entryvar
1439	set entrycmd(trace) 1
1440	return
1441	}
1442
1443	#--------------
1444	# Scale factor
1445	#--------------
1446	if {$expgui(globalmode) != 0} {
1447	foreach var {scale sref sdamp} {
1448	set entrycmd($var) "histinfo [list $histlist] $var"
1449	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1450	}
1451	set parm [grid info $expgui(scaleBox).ent1]
1452	if {$parm != ""} {
1453	grid forget $expgui(scaleBox).ent1
1454	eval grid $expgui(scaleBox).but1 $parm
1455	}
1456	} else {
1457	set hist $histlist
1458	foreach var {scale sref sdamp} {
1459	set entrycmd($var) "histinfo $hist $var"
1460	set entryvar($var) [eval $entrycmd($var)]
1461	}
1462	set parm [grid info $expgui(scaleBox).but1]
1463	if {$parm != ""} {
1464	grid forget $expgui(scaleBox).but1
1465	eval grid $expgui(scaleBox).ent1 $parm
1466	}
1467	}
1468
1469	#----------------
1470	# Phase Fractions
1471	#----------------
1472	set phaseFractf1 $expgui(FracBox).f
1473	# destroy the contents of the frame
1474	eval destroy [grid slaves $phaseFractf1]
1475	if {$expgui(globalmode) != 0} {
1476	grid [label $phaseFractf1.txt -anchor center \
1477	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1478	-column 0 -row 0 -sticky news
1479	} else {
1480	grid [label $phaseFractf1.txt -anchor center \
1481	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1482	}
1483	# Create the frame inside the canvas, One frame for each Phase.
1484	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1485	foreach hist $histlist {
1486	foreach i $expmap(phaselist_$hist) {
1487	lappend phasehistlist($i) $hist
1488	}
1489	}
1490	foreach i {1 2 3 4 5 6 7 8 9} {
1491	if {[llength $phasehistlist($i)] == 0} continue
1492	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1493	grid $framePF -column 0 -row $i -sticky ew
1494	# Label Heading for each phase.
1495	if {$expgui(globalmode) != 0} {
1496	grid [label $framePF.l1 \
1497	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1498	-column 0 -row 0 -sticky nws
1499	grid [button $framePF.but1 -text "Set Globally" \
1500	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1501	[list $phasehistlist($i)] $i" \
1502	] -column 1 -row 0
1503	} else {
1504	grid [label $framePF.l1 -text "Phase $i fraction"] \
1505	-column 0 -row 0 -sticky nws
1506	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1507	-column 1 -row 0
1508	}
1509	set entrycmd(frac$i) "hapinfo $hist $i frac"
1510	set entryvar(frac$i) [hapinfo $hist $i frac]
1511	grid [label $framePF.l2 -text " Refine"] \
1512	-column 2 -row 0 -sticky nws
1513	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1514	-column 3 -row 0 -sticky nws
1515	set entrycmd(frref$i) "hapinfo $hist $i frref"
1516	set entryvar(frref$i) [hapinfo $hist $i frref]
1517	grid [label $framePF.l3 -text " Damping"] \
1518	-column 4 -row 0 -sticky nws
1519	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1520	0 1 2 3 4 5 6 7 8 9
1521	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1522	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1523	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1524	}
1525	# resize the scroll window to match the actual
1526	update idletasks
1527	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1528	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1529	update idletasks
1530	# enable traces on entryvar now
1531	set entrycmd(trace) 1
1532	}
1533
1534	#-----------------------------------------------------------------------
1535	# display the profile page
1536	#-----------------------------------------------------------------------
1537	proc DisplayProfile {} {
1538	global expgui entrycmd entryvar expmap
1539	$expgui(profFrame).hs.lbox selection clear 0 end
1540	foreach h $expgui(curhist) {
1541	$expgui(profFrame).hs.lbox selection set $h
1542	}
1543
1544	# destroy the contents of the frame
1545	eval destroy [grid slaves $expgui(ProfileBox).f]
1546
1547	if {$expgui(globalmode) == 0} {
1548	# must have at least one histogram selected here
1549	if {[llength $expgui(curhist)] == 0} return
1550	# disable traces on entryvar for right now
1551	set entrycmd(trace) 0
1552	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1553	# Create one frame for each Phase.
1554	set ind -1
1555	set htype [string range $expmap(htype_$hist) 2 2]
1556	foreach i $expmap(phaselist_$hist) {
1557	incr ind
1558	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1559	-column 0 -row $ind -sticky ew
1560	grid [frame $expgui(ProfileBox).f.$i.1] \
1561	-column 0 -row 0 -columnspan 10 -sticky ew
1562	# Label Heading for each phase.
1563	set ptype [string trim [hapinfo $hist $i proftype]]
1564	pack [label $expgui(ProfileBox).f.$i.1.l \
1565	-text "Phase $i -- type $ptype Damping"]\
1566	-side left
1567	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1568	0 1 2 3 4 5 6 7 8 9
1569	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1570	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1571	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1572	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1573	-text " Peak cutoff"]\
1574	-side left
1575	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1576	-width 10 -textvariable entryvar(pcut_$i)]\
1577	-side left
1578	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1579	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1580
1581	set col -1
1582	set row 1
1583	set nterms [hapinfo $hist $i profterms]
1584	set lbls $expgui(prof-$htype-$ptype)
1585	# for type 4, add extra terms depending on the cell type
1586	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1587	for { set num 1 } { $num <= $nterms } { incr num } {
1588	set term {}
1589	catch {set term [lindex $lbls $num]}
1590	if {$term == ""} {set term $num}
1591	incr col
1592	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1593	-row $row -column $col
1594	incr col
1595	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1596	-variable entryvar(pref${num}_$i)] -row $row -column $col
1597	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1598	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1599	incr col
1600	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1601	-textvariable entryvar(pterm${num}_$i)\
1602	-width 12] -row $row -column $col
1603	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1604	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1605	if {$col > 6} {set col -1; incr row}
1606	}
1607	}
1608	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1609	} else {
1610	# get histogram list
1611	set histlist {}
1612	foreach item $expgui(curhist) {
1613	lappend histlist [lindex $expmap(powderlist) $item]
1614	}
1615	# must have at least one histogram selected here
1616	if {[llength $histlist] == 0} return
1617	# disable traces on entryvar for right now
1618	set entrycmd(trace) 0
1619	# loop through histograms & phases, set up an array by type
1620	catch {unset ptypearray histarray phasearray}
1621	foreach hist $histlist {
1622	foreach i $expmap(phaselist_$hist) {
1623	set ptype [string trim [hapinfo $hist $i proftype]]
1624	lappend ptypearray(${ptype}_$i) $hist
1625	lappend histarray($ptype) $hist
1626	lappend phasearray($ptype) $i
1627	}
1628	}
1629
1630	set ptype ""
1631	set title ""
1632	set ind -1
1633	foreach key "[lsort [array names ptypearray]] 0_0" {
1634	# split key
1635	scan $key %d_%d type p
1636	# 1st time through
1637	if {$ptype == ""} {set ptype $type}
1638	if {$ptype == $type} {
1639	# we've seen this one before
1640	if {$title != ""} {append title "\n"}
1641	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1642	} else {
1643	set hist [lindex $histarray($ptype) 0]
1644	set phase [lindex $phasearray($ptype) 0]
1645	set nterms [hapinfo $hist $phase profterms]
1646	set htype [string range $expmap(htype_$hist) 2 2]
1647	set lbls $expgui(prof-$htype-$ptype)
1648	set i $ptype
1649	# Create one frame for this type
1650	incr ind
1651	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1652	-column 0 -row $ind -sticky ew
1653	grid [frame $expgui(ProfileBox).f.$i.0] \
1654	-column 0 -row 0 -columnspan 20 -sticky ew
1655	grid [label $expgui(ProfileBox).f.$i.0.0 \
1656	-text "Profile Type $ptype "] -row 0 -column 0
1657	grid [label $expgui(ProfileBox).f.$i.0.1 \
1658	-text $title -anchor w] -row 0 -column 1
1659	grid [frame $expgui(ProfileBox).f.$i.1] \
1660	-column 0 -row 1 -columnspan 20 -sticky ew
1661	grid [label $expgui(ProfileBox).f.$i.1.2 \
1662	-text "Damping"] -row 0 -column 2
1663	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1664	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1665	set entrycmd(pdamp_$ptype) "hapinfo \
1666	[list $histarray($ptype)] \
1667	[list $phasearray($ptype)] pdamp"
1668	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1669	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1670	grid [button $expgui(ProfileBox).f.$i.1.edit \
1671	-text "Global Edit" \
1672	-command "EditProfile [list $title] \
1673	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1674	] -row 0 -column 4 -sticky w
1675	# for type 4, add extra terms depending on the cell type
1676	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1677	set col -1
1678	set row 2
1679	for { set num 1 } { $num <= $nterms } { incr num } {
1680	set term {}
1681	catch {set term [lindex $lbls $num]}
1682	if {$term == ""} {set term $num}
1683	incr col
1684	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1685	-row $row -column $col
1686	incr col
1687	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1688	-variable entryvar(pref${num}_$i)] \
1689	-row $row -column $col
1690	set entrycmd(pref${num}_$i) "hapinfo \
1691	[list $histarray($ptype)] \
1692	[list $phasearray($ptype)] pref$num"
1693	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1694	if {$col > 10} {set col -1; incr row}
1695	}
1696	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1697	set ptype ""
1698	}
1699	}
1700	}
1701
1702	# resize the scroll window to match the actual
1703	update idletasks
1704	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1705	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1706	update idletasks
1707	# enable traces on entryvar now
1708	set entrycmd(trace) 1
1709	}
1710
1711	# profile labels for type 4 profile
1712	proc type4lbls {lbls nterms phase} {
1713	if {$nterms == 14} {
1714	# cubic
1715	lappend lbls S400 S220
1716	} elseif {$nterms == 15} {
1717	# hexagonal
1718	lappend lbls S400 S004 S202
1719	} elseif {$nterms == 16} {
1720	# tetragonal or rhombohedral
1721	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1722	# rhombohedral
1723	lappend lbls S400 S220 S310 S211
1724	} else {
1725	lappend lbls S400 S004 S220 S202
1726	}
1727	} elseif {$nterms == 18} {
1728	# orthorhombic
1729	lappend lbls S400 S040 S004 S220 S202 S022
1730	} elseif {$nterms == 21} {
1731	# monoclinic
1732	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1733	} elseif {$nterms == 25} {
1734	# triclinic
1735	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1736	S130 S301 S013 S211 S121 S112
1737	}
1738	return $lbls
1739	}
1740
1741	# process the bit settings in the print options
1742	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1743	proc printsetting {bitnum "action get" "value {}"} {
1744	global entryvar expgui
1745	if {$action == "get"} {
1746	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1747	} elseif $value {
1748	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1749	} else {
1750	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1751	}
1752	expinfo print set $newval
1753	set expgui(printopt) "Print Options ([expinfo print])"
1754	}
1755
1756	# need to respond to mouse presses -- control variable associated with extract Fobs
1757	# and set the LeBail extraction flags
1758	proc SetupExtractHist {} {
1759	global expgui entrycmd entryvar expmap
1760
1761	# display the selected histograms
1762	$expgui(lsFrame).hs.lbox selection clear 0 end
1763	foreach h $expgui(curhist) {
1764	$expgui(lsFrame).hs.lbox selection set $h
1765	}
1766
1767	# get histogram list
1768	set histlist {}
1769	foreach item $expgui(curhist) {
1770	set hist [lindex $expmap(powderlist) $item]
1771	if {$hist != ""} {lappend histlist $hist}
1772	}
1773	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1774	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1775	foreach phase {1 2 3 4 5 6 7 8 9} {
1776	$expgui(lsFrame).f1.a.l$phase config -fg grey
1777	set expgui(Fextract$phase) {}
1778	foreach item $expgui(ExtractSettingsRadiobuttons) {
1779	${item}$phase config -state disabled -bd 1
1780	}
1781	}
1782	} elseif {[llength $histlist] == 1} {
1783	# disable traces on entryvar
1784	set entrycmd(trace) 0
1785	set entryvar(fobsextract) [histinfo $histlist foextract]
1786	foreach phase {1 2 3 4 5 6 7 8 9} {
1787	# is the phase present?
1788	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1789	$expgui(lsFrame).f1.a.l$phase config -fg grey
1790	set expgui(Fextract$phase) {}
1791	foreach item $expgui(ExtractSettingsRadiobuttons) {
1792	${item}$phase config -state disabled -bd 1
1793	}
1794	} else {
1795	$expgui(lsFrame).f1.a.l$phase config -fg black
1796	foreach item $expgui(ExtractSettingsRadiobuttons) {
1797	${item}$phase config -state normal -bd 2
1798	}
1799	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1800	}
1801	}
1802	} elseif {[llength $histlist] > 1} {
1803	# disable traces on entryvar
1804	set entrycmd(trace) 0
1805	# multiple histograms need phases in any histogram
1806	foreach phase {1 2 3 4 5 6 7 8 9} {
1807	set gotphase($phase) 0
1808	}
1809	foreach hist $histlist {
1810	foreach phase $expmap(phaselist_$hist) {
1811	set gotphase($phase) 1
1812	}
1813	}
1814	foreach phase {1 2 3 4 5 6 7 8 9} {
1815	set expgui(Fextract$phase) {}
1816	if $gotphase($phase) {
1817	$expgui(lsFrame).f1.a.l$phase config -fg black
1818	foreach item $expgui(ExtractSettingsRadiobuttons) {
1819	${item}$phase config -state normal -bd 2
1820	}
1821	} else {
1822	$expgui(lsFrame).f1.a.l$phase config -fg grey
1823	foreach item $expgui(ExtractSettingsRadiobuttons) {
1824	${item}$phase config -state disabled -bd 1
1825	}
1826	}
1827	}
1828	}
1829	# reenable traces
1830	set entrycmd(trace) 1
1831	}
1832	# respond to a change in the fobs extraction method for a phase
1833	# force the main extraction flag on, if fobs extraction is selected for any phase
1834	proc HistExtractSet {phase} {
1835	global expgui entryvar expmap
1836	foreach item $expgui(curhist) {
1837	lappend histlist [lindex $expmap(powderlist) $item]
1838	}
1839	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1840	incr expgui(changed)
1841	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1842	}
1843	#---------------------------- Global Edit Functions ------------------------
1844	proc editbackground {} {
1845	global expgui expmap entrycmd
1846	set histlist {}
1847	foreach n $expgui(curhist) {
1848	lappend histlist [lindex $expmap(powderlist) $n]
1849	}
1850	if {[llength $histlist] == 0} return
1851
1852	set w .back
1853	catch {destroy $w}
1854	toplevel $w -bg beige
1855	if {$expgui(globalmode) != 0} {
1856	wm title $w "Edit Background"
1857	} else {
1858	wm title $w "Global Edit Background"
1859	}
1860
1861	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1862	] -side top -expand yes -fill both
1863	if {[llength $histlist] > 1} {
1864	grid [label $w.0.a \
1865	-text "Setting background terms for histograms [CompressList $histlist]" \
1866	-bg beige] -row 0 -column 0 -columnspan 10
1867	} else {
1868	grid [label $w.0.a \
1869	-text "Setting background terms for histogram $histlist" \
1870	-bg beige] -row 0 -column 0 -columnspan 10
1871	}
1872	set hist [lindex $histlist 0]
1873	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1874
1875	# disable traces on expgui(backtype) & expgui(backterms) now
1876	set entrycmd(trace) 0
1877
1878	# number of terms
1879	set expgui(backtype) [histinfo $hist backtype]
1880	set expgui(orig_backtype) $expgui(backtype)
1881	set expgui(prev_backtype) $expgui(backtype)
1882	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1883	grid $w.0.type -row 1 -column 1
1884	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1885
1886	# function type
1887	set expgui(backterms) [histinfo $hist backterms]
1888	set expgui(orig_backterms) $expgui(backterms)
1889	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1890	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1891	grid $w.0.terms -row 1 -column 3
1892	# enable traces on expgui(backtype) & expgui(backterms) now
1893	set entrycmd(trace) 1
1894
1895	#set background terms
1896	for {set num 1 } { $num <= 36 } { incr num } {
1897	set var "bterm$num"
1898	set expgui($var) {}
1899	set expgui(orig_$var) {}
1900	}
1901	if {[llength $histlist] == 1} {
1902	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1903	set var "bterm$num"
1904	set expgui($var) [histinfo $histlist $var]
1905	set expgui(orig_$var) $expgui($var)
1906	}
1907	}
1908
1909	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1910	-expand yes -fill both
1911	ShowBackTerms $w.1
1912
1913	set expgui(temp) {}
1914	pack [frame $w.b] -side top
1915	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1916	pack [button $w.b.3 -text Quit \
1917	-command "QuitEditBackground $w"] -side left
1918	# force the window to stay on top
1919	wm transient $w [winfo toplevel [winfo parent $w]]
1920
1921	bind $w <Return> "destroy $w"
1922	wm withdraw $w
1923	update idletasks
1924	# center the new window in the middle of the parent
1925	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
1926	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
1927	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
1928	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
1929	wm geom $w +$x+$y
1930	wm deiconify $w
1931
1932	set oldFocus [focus]
1933	set oldGrab [grab current $w]
1934	if {$oldGrab != ""} {
1935	set grabStatus [grab status $oldGrab]
1936	}
1937	grab $w
1938	focus $w.b.2
1939	tkwait window $w
1940
1941	catch {focus $oldFocus}
1942	if {$oldGrab != ""} {
1943	if {$grabStatus == "global"} {
1944	grab -global $oldGrab
1945	} else {
1946	grab $oldGrab
1947	}
1948	}
1949	if {$expgui(temp) != ""} return
1950
1951	if {$expgui(orig_backtype) != $expgui(backtype)} {
1952	histinfo $histlist backtype set $expgui(backtype)
1953	incr expgui(changed)
1954	}
1955	if {$expgui(orig_backterms) != $expgui(backterms)} {
1956	histinfo $histlist backterms set $expgui(backterms)
1957	incr expgui(changed)
1958	}
1959	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1960	set var "bterm$num"
1961	if {$expgui(orig_$var) != $expgui($var)} {
1962	histinfo $histlist $var set $expgui($var)
1963	incr expgui(changed)
1964	}
1965	}
1966
1967	if {$expgui(globalmode) == 0} {
1968	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1969	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1970	}
1971	}
1972
1973	trace variable expgui(backterms) w ChangeBackTerms
1974	proc ChangeBackTerms {a b c} {
1975	global entrycmd expgui
1976	if !$entrycmd(trace) return
1977	ShowBackTerms .back.1
1978	}
1979
1980	trace variable expgui(backtype) w ChangeBackType
1981	# reset the terms to 1, 0, 0... when the number of terms increase
1982	proc ChangeBackType {a b c} {
1983	global entrycmd expgui
1984	if !$entrycmd(trace) return
1985	if {$expgui(prev_backtype) == $expgui(backtype)} return
1986	set expgui(prev_backtype) $expgui(backtype)
1987	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1988	set var "bterm$num"
1989	if {$num == 1} {
1990	set expgui($var) 1.0
1991	} else {
1992	set expgui($var) 0.0
1993	}
1994	}
1995	}
1996
1997	proc ShowBackTerms {w } {
1998	global expgui expmap
1999	# destroy the contents of the frame
2000	eval destroy [grid slaves $w]
2001	set histlist {}
2002	foreach n $expgui(curhist) {
2003	lappend histlist [lindex $expmap(powderlist) $n]
2004	}
2005	set widgetsPerRow 4
2006	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2007	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2008	set var "bterm$num"
2009	grid [label $w.l$num -text $num -bg beige] \
2010	-row $rows -column $cols -sticky nes
2011	incr cols
2012	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2013	] -row $rows -column $cols -sticky news
2014	incr cols
2015	}
2016	}
2017	}
2018
2019	proc QuitEditBackground {w} {
2020	global expgui
2021	# lets find out if anything changed
2022	set changed 0
2023	if {$expgui(orig_backtype) != $expgui(backtype)} {
2024	set changed 1
2025	}
2026	if {$expgui(orig_backterms) != $expgui(backterms)} {
2027	set changed 1
2028	}
2029	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2030	set var "bterm$num"
2031	if {$expgui(orig_$var) != $expgui($var)} {
2032	set changed 1
2033	break
2034	}
2035	}
2036	if $changed {
2037	set decision [tk_dialog .changes "Abandon Changes" \
2038	"You have made changes to the background. Ok to abandon changes?" \
2039	warning 0 Abandon Keep]
2040	if !$decision {
2041	set expgui(temp) "Quit"
2042	destroy $w
2043	}
2044	} else {
2045	set expgui(temp) "Quit"
2046	destroy $w
2047	}
2048	}
2049
2050	# this probably needs work
2051	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2052	global expgui expmap
2053	set w .global
2054	catch {destroy $w}
2055	toplevel $w -bg beige
2056	wm title $w "Edit Global Parameter"
2057	set expgui(temp) {}
2058	if {[llength $histlist] == 0} {
2059	set hist {}
2060	foreach n $expgui(curhist) {
2061	lappend hist [lindex $expmap(powderlist) $n]
2062	}
2063	} else {
2064	set hist $histlist
2065	}
2066	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2067	-side top -expand yes -fill both
2068	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2069	-bg beige] \
2070	-row 0 -column 0 -columnspan 10
2071	grid [entry $w.0.b -textvariable expgui(temp)] \
2072	-row 1 -column 0
2073
2074
2075	pack [frame $w.b] -side top
2076	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2077	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2078	# force the window to stay on top
2079	wm transient $w [winfo toplevel [winfo parent $w]]
2080
2081	bind $w <Return> "destroy $w"
2082	wm withdraw $w
2083	update idletasks
2084	# center the new window in the middle of the parent
2085	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2086	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2087	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2088	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2089	wm geom $w +$x+$y
2090	wm deiconify $w
2091
2092	set oldFocus [focus]
2093	set oldGrab [grab current $w]
2094	if {$oldGrab != ""} {
2095	set grabStatus [grab status $oldGrab]
2096	}
2097	grab $w
2098	focus $w.b.2
2099	tkwait window $w
2100	if {$expgui(temp) != ""} {
2101	foreach h $hist {
2102	if {$cmd == "histinfo"} {
2103	histinfo $h $variable set $expgui(temp)
2104	incr expgui(changed)
2105	if $expgui(debug) {
2106	puts "histinfo $h $variable set $expgui(temp)"
2107	}
2108	} elseif {$cmd == "hapinfo"} {
2109	hapinfo $h $phase $variable set $expgui(temp)
2110	incr expgui(changed)
2111	if $expgui(debug) {
2112	puts "hapinfo $phase $h $variable set $expgui(temp)"
2113	}
2114	} else {
2115	error "$cmd unimplemented"
2116	}
2117	}
2118	}
2119	catch {focus $oldFocus}
2120	if {$oldGrab != ""} {
2121	if {$grabStatus == "global"} {
2122	grab -global $oldGrab
2123	} else {
2124	grab $oldGrab
2125	}
2126	}
2127	}
2128
2129	proc EditProfile {title histlist phaselist} {
2130	global expgui expmap entrycmd
2131	set w .back
2132	catch {destroy $w}
2133	toplevel $w -bg beige
2134	wm title $w "Global Edit Profile"
2135	set hist [lindex $histlist 0]
2136	set phase [lindex $phaselist 0]
2137	set ptype [string trim [hapinfo $hist $phase proftype]]
2138	set htype [string range $expmap(htype_$hist) 2 2]
2139	set nterms [hapinfo $hist $phase profterms]
2140
2141	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2142	] -side top -expand yes -fill both
2143	grid [label $w.0.a \
2144	-text "Setting profile terms: $title" \
2145	-bg beige] -row 0 -column 0 -columnspan 10
2146	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2147
2148	# number of terms
2149	# set expgui(backtype) [histinfo $hist backtype]
2150	# set expgui(orig_backtype) $expgui(backtype)
2151	# set expgui(prev_backtype) $expgui(backtype)
2152	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2153	# grid $w.0.type -row 1 -column 1
2154
2155	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2156	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2157	set entrylist {}
2158	lappend entrylist "pcut $w.0.d"
2159
2160	set col -1
2161	set row 1
2162	set lbls $expgui(prof-$htype-$ptype)
2163	# for type 4, add extra terms depending on the cell type
2164	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2165	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2166	] -side top -expand yes -fill both
2167	for { set num 1 } { $num <= $nterms } { incr num } {
2168	set term {}
2169	catch {set term [lindex $lbls $num]}
2170	if {$term == ""} {set term $num}
2171	incr col
2172	grid [label $w.1.l${num} -text "$term" -bg beige] \
2173	-row $row -column $col
2174	incr col
2175	grid [entry $w.1.ent${num} \
2176	-width 14] -row $row -column $col
2177	lappend entrylist "pterm$num $w.1.ent${num}"
2178	if {$col > 6} {set col -1; incr row}
2179	}
2180	pack [frame $w.b] -side top
2181	pack [button $w.b.2 -text Set \
2182	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2183	[list $histlist] $w"] -side left
2184	pack [button $w.b.3 -text Quit \
2185	-command "QuitEditProfile $w [list $entrylist]"] -side left
2186	# force the window to stay on top
2187	wm transient $w [winfo toplevel [winfo parent $w]]
2188
2189	bind $w <Return> "destroy $w"
2190	wm withdraw $w
2191	update idletasks
2192	# center the new window in the middle of the parent
2193	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2194	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2195	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2196	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2197	wm geom $w +$x+$y
2198	wm deiconify $w
2199
2200	set oldFocus [focus]
2201	set oldGrab [grab current $w]
2202	if {$oldGrab != ""} {
2203	set grabStatus [grab status $oldGrab]
2204	}
2205	grab $w
2206	focus $w.b.2
2207	tkwait window $w
2208
2209	catch {focus $oldFocus}
2210	if {$oldGrab != ""} {
2211	if {$grabStatus == "global"} {
2212	grab -global $oldGrab
2213	} else {
2214	grab $oldGrab
2215	}
2216	}
2217	}
2218
2219	proc SetEditProfile {entrylist phaselist histlist w} {
2220	global expgui
2221	foreach item $entrylist {
2222	set value [ [lindex $item 1] get ]
2223	if {$value != ""} {
2224	hapinfo $histlist $phaselist [lindex $item 0] set $value
2225	incr expgui(changed)
2226	if $expgui(debug) {
2227	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2228	}
2229	}
2230	}
2231	destroy $w
2232	}
2233
2234	proc QuitEditProfile {w entrylist} {
2235	global expgui
2236	# lets find out if anything changed
2237	set changed 0
2238	foreach item $entrylist {
2239	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2240	}
2241	if $changed {
2242	set decision [tk_dialog .changes "Abandon Changes" \
2243	"You have made changes to the Profile. Ok to abandon changes?" \
2244	warning 0 Abandon Keep]
2245	if !$decision {destroy $w}
2246	} else {
2247	destroy $w
2248	}
2249	}
2250
2251	##############################################################################
2252	## #############################################
2253	## END OF THE PROCEDURES SECTION #############################################
2254	## #############################################
2255	##############################################################################
2256
2257	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2258	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2259	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2260	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2261	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2262	# A frame for menu items at top of display
2263	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2264	# Pack the menu frame.
2265	pack $expgui(fm) -fill x -side top -anchor n
2266
2267	# create a button bar
2268	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2269
2270	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2271	# & LS controls
2272	if $expgui(havetix) {
2273	pack [tixNoteBook .n] -expand yes -fill both
2274	.n add lsPane -label "LS Controls" -underline 0
2275	.n pageconfigure lsPane -raisecmd \
2276	"set expgui(pagenow) lsFrame; SetupExtractHist"
2277	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2278	.n add phasePane -label "Phase" -underline 0
2279	.n pageconfigure phasePane -raisecmd \
2280	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2281	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2282	.n add histPane -label "Histogram" -underline 0
2283	.n pageconfigure histPane -raisecmd \
2284	"set expgui(pagenow) histFrame; DisplayHistogram"
2285	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2286	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2287	.n add fracPane -label "Scaling" -underline 6
2288	.n pageconfigure fracPane -raisecmd \
2289	"set expgui(pagenow) fracFrame; DisplayFrac"
2290	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2291	.n add profPane -label Profile -underline 1
2292	.n pageconfigure profPane -raisecmd \
2293	"set expgui(pagenow) profFrame; DisplayProfile"
2294	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2295	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2296	# Finding the pathname to the subwidget frames.
2297	set expgui(phaseFrame) [.n subwidget phasePane]
2298	set expgui(histFrame) [.n subwidget histPane]
2299	set expgui(fracFrame) [.n subwidget fracPane]
2300	set expgui(profFrame) [.n subwidget profPane]
2301	set expgui(lsFrame) [.n subwidget lsPane]
2302	} else {
2303	pack [frame .frmbar] -side top -anchor w
2304	pack [frame .n] -anchor w -fill both -expand yes
2305	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2306	page {"LS Controls" Phase Histogram Scaling Profile } {
2307	pack [button .frmbar.$item -text $page -bd 2 \
2308	-command "RaisePage $item"] -side left
2309	set expgui($item) [frame .n.$item -relief flat]
2310	}
2311	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2312	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2313	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2314	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2315	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2316	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2317	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2318	}
2319
2320	# this is used in the non-tix notebook to bring up the selected frame
2321	proc RaisePage {nextpage} {
2322	global expgui
2323	set expgui(pagenow) $nextpage
2324	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2325	if {$item == $nextpage} {
2326	.frmbar.$item config -relief flat
2327	} else {
2328	.frmbar.$item config -relief raised
2329	}
2330	}
2331	# forget all other pages
2332	foreach child [pack slaves .n] {
2333	pack forget $child
2334	}
2335	pack .n.$nextpage -anchor w -fill both -expand yes
2336	foreach set $expgui(frameactionlist) {
2337	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2338	}
2339	}
2340	#----------------------------------------------------------------------------
2341	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2342	# Setup major frames here
2343	frame $expgui(phaseFrame).top
2344	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2345	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2346	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2347	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2348	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2349
2350	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2351	grid $frameLatt -sticky news -row 2 -column 0
2352	grid $fbig -sticky news -row 3 -column 0
2353	# give extra space to the atoms box
2354	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2355	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2356	grid $frame3 -sticky news -row 4 -column 0
2357	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2358	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2359	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2360	# this is where the buttons will go
2361	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2362
2363	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2364	-fg blue ] -column 1 -row 0 -sticky e
2365	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2366	-fg blue -width 45] -column 2 -row 0 -sticky e
2367	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2368	# ------------- Lattice Parameter Box ------------------
2369	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2370	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2371	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2372	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2373	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2374	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2375	set l1 [label $frameLatt.l1 -text "a"]
2376	set l2 [label $frameLatt.l2 -text "b"]
2377	set l3 [label $frameLatt.l3 -text "c"]
2378	set l4 [label $frameLatt.l4 -text "alpha"]
2379	set l5 [label $frameLatt.l5 -text "beta"]
2380	set l6 [label $frameLatt.l6 -text "gamma"]
2381	grid $e1 -column 1 -row 0 -padx 5
2382	grid $e2 -column 3 -row 0 -padx 5
2383	grid $e3 -column 5 -row 0 -padx 5
2384	grid $e4 -column 1 -row 1 -padx 5
2385	grid $e5 -column 3 -row 1 -padx 5
2386	grid $e6 -column 5 -row 1 -padx 5
2387	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2388	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2389	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2390	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2391	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2392	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2393
2394	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2395	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2396	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2397	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2398	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2399	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2400
2401	#-------------- Begin Atom Coordinates Box ---------------------------------
2402	grid [listbox $fbig.title -height 1 -relief flat] \
2403	-row 0 -column 0 -sticky ew
2404	set expgui(atomtitle) $fbig.title
2405	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2406	grid [listbox $fbig.lbox -height 10 \
2407	-xscrollcommand " $fbig.bscr set"\
2408	-yscrollcommand " $fbig.rscr set"\
2409	] -row 1 -column 0 -sticky news
2410	set expgui(atomlistbox) $fbig.lbox
2411	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2412	grid [scrollbar $fbig.bscr -orient horizontal \
2413	-command "move2boxes \" $fbig.title $fbig.lbox \" "
2414	] -row 2 -column 0 -sticky ew
2415	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2416	] -row 1 -column 1 -sticky ns
2417	# give extra space to the atoms box
2418	grid columnconfigure $fbig 0 -weight 1
2419	grid rowconfigure $fbig 1 -weight 1
2420
2421	proc move2boxes {boxlist args} {
2422	foreach listbox $boxlist {
2423	eval $listbox xview $args
2424	}
2425	}
2426	# BIND mouse in editbox
2427	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2428	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2429
2430	#-------------- End Atoms Section ---------------------------------
2431
2432	# --------------------------- Begin Edit Box -------------------------------
2433	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2434	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
2435
2436	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2437	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2438
2439	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2440	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2441	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2442	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2443	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2444	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2445
2446	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2447	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2448
2449	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2450	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2451	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2452	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2453	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2454	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2455	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2456	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2457	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2458
2459	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2460	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2461
2462	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2463	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2464
2465	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2466	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2467	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2468	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2469	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2470	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2471	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2472	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2473	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2474	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2475
2476	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2477	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2478	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2479	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2480	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2481	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2482	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2483	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2484
2485
2486	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2487	grid $f3f31 -column 0 -row 7 -columnspan 12
2488	set expgui(anisolabels) {}
2489	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2490	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2491	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2492	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2493	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2494	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2495
2496	set expgui(anisoentry) {}
2497	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2498	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2499	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2500	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2501	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2502	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2503
2504	set col 0
2505	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2506	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2507	incr col
2508	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2509	incr col
2510	}
2511	# --------------------------- End Edit Box --------------------------------
2512
2513	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2514	#-----------------------------------------------------------------------------
2515	#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
2516	grid [frame $expgui(histFrame).hs] \
2517	-column 0 -row 0 -rowspan 10 -sticky nsew
2518	grid columnconfigure $expgui(histFrame) 0 -weight 1
2519	grid rowconfigure $expgui(histFrame) 1 -weight 1
2520	grid rowconfigure $expgui(histFrame) 2 -weight 1
2521	grid rowconfigure $expgui(histFrame) 3 -weight 1
2522	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2523	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2524	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2525	-font $expgui(histfont) \
2526	-xscrollcommand "$expgui(histFrame).hs.x set" \
2527	-yscrollcommand "$expgui(histFrame).hs.y set" \
2528	] -row 1 -column 0 -sticky news
2529	lappend expgui(HistSelectList) $expgui(histFrame).hs
2530	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2531	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2532	] -row 2 -column 0 -sticky ew
2533	grid [scrollbar $expgui(histFrame).hs.y \
2534	-command "$expgui(histFrame).hs.lbox yview"] \
2535	-row 1 -column 1 -sticky ns
2536	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2537	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2538	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2539	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2540	DisplayHistogram
2541	}
2542	bind $expgui(histFrame).hs.lbox <Button-3> {
2543	if $expgui(globalmode) {
2544	$expgui(histFrame).hs.lbox selection set 0 end
2545	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2546	DisplayHistogram
2547	}
2548	}
2549
2550
2551	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2552	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2553	if $expgui(havetix) {
2554	foreach item {backBox diffBox} num {2 3} \
2555	title {Background "Diffractometer Constants"} {
2556	tixLabelFrame $expgui(histFrame).$item \
2557	-borderwidth 4 -width 600 -height 100 -label $title
2558	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2559	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2560	}
2561	} else {
2562	foreach item {backBox diffBox} num {1 2} \
2563	title {Background "Diffractometer Constants"} {
2564	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2565	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2566	set expgui($item) $expgui(histFrame).$item
2567	grid [label $expgui(histFrame).$item.title -text $title] \
2568	-row 0 -column 0 -columnspan 10 -sticky nw
2569	}
2570	}
2571
2572	# BACKGROUND information.
2573	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2574	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2575	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2576	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2577	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2578	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2579	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2580	-command editbackground] \
2581	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2582	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2583	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2584	-row 2 -column 1 -sticky news -padx 4 -pady 3
2585	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2586	-variable entryvar(bref) ] \
2587	-row 2 -column 2 -sticky news -padx 4 -pady 3
2588	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2589	-row 2 -column 3 -sticky w -padx 2 -pady 3
2590	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2591	grid $expgui(backBox).f1.om \
2592	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2593
2594	# DIFFRACTOMETER CONSTANTS SECTION
2595
2596	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2597	###############################################################################
2598	#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
2599
2600	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2601	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2602	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2603	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2604	-font $expgui(histfont) \
2605	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2606	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2607	] -row 1 -column 0 -sticky news
2608	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2609	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2610	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2611	] -row 2 -column 0 -sticky ew
2612	grid [scrollbar $expgui(fracFrame).hs.y \
2613	-command "$expgui(fracFrame).hs.lbox yview"] \
2614	-row 1 -column 1 -sticky ns
2615	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2616	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2617	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2618	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2619	DisplayFrac
2620	}
2621	bind $expgui(fracFrame).hs.lbox <Button-3> {
2622	if $expgui(globalmode) {
2623	$expgui(fracFrame).hs.lbox selection set 0 end
2624	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2625	DisplayFrac
2626	}
2627	}
2628	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2629	# Create a large canvas area containing a frame for each phase in the data set.
2630	# The canvas and vertical scrollbar are inside a frame called f1
2631	if $expgui(havetix) {
2632	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2633	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2634	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2635	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2636	} else {
2637	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2638	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2639	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2640	}
2641	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2642	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2643	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2644	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2645	button $expgui(scaleBox).but1 -text "Set Globally" \
2646	-command "editglobalparm histinfo scale {Scale Factor}"
2647
2648	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2649	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2650	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2651	-row 1 -column 3 -sticky news -padx 4 -pady 3
2652	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2653	-row 1 -column 4 -sticky w -padx 2 -pady 3
2654	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2655	grid $expgui(scaleBox).om \
2656	-row 1 -column 5 -sticky news -padx 4 -pady 3
2657	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2658
2659	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2660	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2661	-sticky news -row 1 -column 0
2662	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2663	-sticky ns -row 1 -column 1
2664
2665	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2666	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2667
2668	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2669	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2670	frame $expgui(FracBox).f -bd 0
2671	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2672
2673	# the rest of the page is created in DisplayFrac
2674	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2675	###############################################################################
2676	# 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
2677	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2678	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2679	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2680	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2681	-font $expgui(histfont) \
2682	-xscrollcommand "$expgui(profFrame).hs.x set" \
2683	-yscrollcommand "$expgui(profFrame).hs.y set" \
2684	] -row 1 -column 0 -sticky news
2685	lappend expgui(HistSelectList) $expgui(profFrame).hs
2686	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2687	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2688	] -row 2 -column 0 -sticky ew
2689	grid [scrollbar $expgui(profFrame).hs.y \
2690	-command "$expgui(profFrame).hs.lbox yview"] \
2691	-row 1 -column 1 -sticky ns
2692	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2693	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2694	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2695	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2696	DisplayProfile
2697	}
2698	bind $expgui(profFrame).hs.lbox <Button-3> {
2699	if $expgui(globalmode) {
2700	$expgui(profFrame).hs.lbox selection set 0 end
2701	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2702	DisplayProfile
2703	}
2704	}
2705
2706	# Create a large canvas area containing a frame for each phase in the data set.
2707	# The canvas and vertical scrollbar are inside a frame called f1
2708	pack [frame $expgui(profFrame).f1] -fill both -expand true
2709	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2710	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2711	-sticky news -row 0 -column 0
2712	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2713	-sticky ns -row 0 -column 1
2714
2715	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2716	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2717
2718	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2719	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2720	frame $expgui(ProfileBox).f -bd 0
2721	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2722
2723	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2724	##############################################################################
2725	# 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
2726	array set printopts {
2727	0 "Print the reciprocal metric tensor changes"
2728	1 "Print the correlation matrix"
2729	2 "Print the Least-Squares matrices and vectors"
2730	4 "Print the linear constraint matrices"
2731	5 "Print the applied shifts and shift factors"
2732	6 "Print the reciprocal metric tensor Var-Covar terms"
2733	7 "Print all parameters for each cycle"
2734	8 "Print summary shift/esd data after last cycle"
2735	9 "Print zero/unit pole figure constraint terms"
2736	}
2737	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2738	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2739	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2740	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2741	-font $expgui(histfont) \
2742	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2743	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2744	] -row 1 -column 0 -sticky news
2745	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2746	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2747	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2748	] -row 2 -column 0 -sticky ew
2749	grid [scrollbar $expgui(lsFrame).hs.y \
2750	-command "$expgui(lsFrame).hs.lbox yview"] \
2751	-row 1 -column 1 -sticky ns
2752	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2753	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2754	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2755	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2756	SetupExtractHist
2757	}
2758	bind $expgui(lsFrame).hs.lbox <Button-3> {
2759	if $expgui(globalmode) {
2760	$expgui(lsFrame).hs.lbox selection set 0 end
2761	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2762	SetupExtractHist
2763	}
2764	}
2765
2766	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2767	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2768	set row 0
2769	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2770	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2771	-textvariable expgui(last_History)] \
2772	-row $row -column 1 -columnspan 5 -sticky w
2773	incr row
2774	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2775	grid [entry $expgui(lsFrame).f1.tit2 \
2776	-textvariable entryvar(title) -width 48] \
2777	-row $row -column 1 -columnspan 5 -sticky w
2778	set entrycmd(title) "expinfo title"
2779
2780	incr row
2781	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2782	-row $row -column 0 -columnspan 2 -pady 3
2783	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2784	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2785	-textvariable entryvar(cycles)] -row 0 -column 1
2786	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2787	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2788	] -row $row -column 2
2789	menu $expgui(lsFrame).f1.lprint.menu
2790	foreach num [lsort [array names printopts]] {
2791	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2792	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2793	-variable entryvar(printopt$num)
2794	}
2795	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2796	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2797	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2798	incr row
2799	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2800	foreach num {1 2 3 4 5 6 7 8 9} {
2801	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2802	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2803	-command "HistExtractSet $num" \
2804	-variable expgui(Fextract$num) -value 0] \
2805	-row 2 -column $num
2806	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2807	-command "HistExtractSet $num" \
2808	-variable expgui(Fextract$num) -value 1] \
2809	-row 3 -column $num
2810	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2811	# -command "HistExtractSet $num" \
2812	# -variable expgui(Fextract$num) -value 2] \
2813	# -row 4 -column $num
2814	}
2815	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2816	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2817	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2818
2819	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2820	-column 0 -columnspan 11 -row 0
2821	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2822	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2823	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2824	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2825	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2826	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2827	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2828	#-------------------------------------------------------------------------
2829	#-------------------------------------------------------------------------
2830	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2831
2832	#---- file menu button
2833	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2834	menu $expgui(fm).file.menu
2835	if $expgui(debug) {
2836	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2837	-command "reset"
2838	}
2839	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2840	-command readnewexp
2841	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2842	-command savearchiveexp
2843	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2844	-command "SaveAsFile"
2845	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2846	-command {rereadexp $expgui(expfile)}
2847	#$expgui(fm).file.menu add command -label "Close" -underline 0
2848
2849	#---- help menu button
2850	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2851	menu $expgui(fm).help.menu
2852	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2853	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2854
2855	#---- options menu button
2856	menubutton $expgui(fm).option -text Options -underline 0 \
2857	-menu $expgui(fm).option.menu
2858	menu $expgui(fm).option.menu
2859
2860	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2861	-variable expgui(archive) -underline 0
2862
2863	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2864	-label "Sort atoms by"
2865
2866	set expgui(asorttype) number
2867	menu $expgui(fm).option.menu.asort
2868	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2869	-label number -value number -variable expgui(asorttype)
2870	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2871	-label type -value type -variable expgui(asorttype)
2872	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2873	-label x -value x -variable expgui(asorttype)
2874	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2875	-label y -value y -variable expgui(asorttype)
2876	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2877	-label z -value z -variable expgui(asorttype)
2878
2879
2880	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2881	-label "Sort histograms by"
2882
2883	set expgui(hsorttype) number
2884	menu $expgui(fm).option.menu.hsort
2885	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2886	-label number -value number -variable expgui(hsorttype)
2887	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2888	-label "Histogram type" -value type -variable expgui(hsorttype)
2889	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2890	-label "Bank #" -value bank -variable expgui(hsorttype)
2891	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2892	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2893
2894	#---- Global mode menu button
2895	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2896	-label "Multiple hist. selection"
2897	menu $expgui(fm).option.menu.editmode
2898	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2899	-variable expgui(globalmode) -underline 0 -value 0\
2900	-command sethistlist
2901	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2902	-variable expgui(globalmode) -underline 0 -value 6 \
2903	-command sethistlist
2904	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2905	-variable expgui(globalmode) -underline 0 -value 1 \
2906	-command sethistlist
2907	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2908	-variable expgui(globalmode) -underline 0 -value 2 \
2909	-command sethistlist
2910	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2911	-variable expgui(globalmode) -underline 0 -value 3 \
2912	-command sethistlist
2913	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2914	-variable expgui(globalmode) -underline 0 -value 4 \
2915	-command sethistlist
2916	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2917	-variable expgui(globalmode) -underline 0 -value 5 \
2918	-command sethistlist
2919	set expgui(globalmode) 0
2920
2921	if {$tcl_platform(platform) != "windows"} {
2922	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2923	-variable env(GSASBACKSPACE)
2924	}
2925	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2926	-command "SaveOptions"
2927
2928	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2929
2930	foreach menu $expgui(menunames) {
2931	set m [string tolower $menu]
2932	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2933	-menu $expgui(fm).$m.menu] -side left
2934	menu $expgui(fm).$m.menu
2935	}
2936	pack $expgui(fm).help -side right -in $expgui(fm)
2937
2938	# add the commands in expgui_menulist
2939	foreach menu [array names expgui_menulist ] {
2940	foreach cmd $expgui_menulist($menu) {
2941	set action {}
2942	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2943	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2944	if {$action != "" && $action != "-"} {
2945	eval $expgui(fm).$menu.menu add command \
2946	-label $cmd -command [list [subst $action]]
2947	}
2948	}
2949	}
2950	# setup command help
2951	foreach cmd [array names expgui_cmdlist] {
2952	set help {}
2953	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2954	if {$help == ""} {
2955	if {$expgui(debug)} {puts "no help for $cmd"}
2956	} else {
2957	# remove
2958	regsub -all \x09 $help " " help
2959	# preserve blank lines
2960	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2961	regsub -all \x0A $help " " help
2962	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2963	regsub -all " +" $help " " help
2964	set expgui_helplist($cmd) [string trim $help]
2965	}
2966	}
2967	# set up button bar
2968	foreach cmd $expgui(buttonlist) {
2969	set action {}
2970	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2971	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2972	if {$action != ""} {
2973	pack [eval button .bar.$cmd -bg beige \
2974	-text $cmd -command [list [subst $action]]] -side left
2975	}
2976	}
2977
2978	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2979	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2980
2981
2982	# handle indirect exits
2983	wm protocol . WM_DELETE_WINDOW catchQuit
2984	bind . <Control-c> catchQuit
2985
2986	set expgui(curPhase) ""
2987	set expgui(pagenow) ""
2988	set expgui(curhist) {}
2989
2990	loadexp $expgui(expfile)
2991
2992	# select the 1st phase
2993	SelectOnePhase [lindex $expmap(phaselist) 0]
2994	# select the first histogram in the list by default (if there are any)
2995	if {[llength $expmap(histlistboxcontents)] > 0} {set expgui(curhist) 0}
2996
2997	if !$expgui(havetix) {
2998	RaisePage lsFrame
2999	} else {
3000	.n raise lsPane
3001	set expgui(pagenow) lsFrame
3002	}

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