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source: trunk/expgui @ 71

Last change on this file since 71 was 71, checked in by toby, 13 years ago
# on 1999/03/19 17:07:59, toby did: bug fixes for reading new .EXP files
Property rcs:author set to `toby` Property rcs:date set to `1999/03/19 17:07:59` Property rcs:lines set to `+23 -19` Property rcs:rev set to `1.12` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 108.2 KB

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1	#!/usr/local/bin/wish
2	set expgui(Revision) {$Revision: 71 $ $Date: 2009-12-04 22:59:55 +0000 (Fri, 04 Dec 2009) $}
3
4	# to do:
5	#
6	# need to change heading and button label depending on where getExpFileName
7	# is called from
8	#
9	# fixup documentation and you are done!
10	#
11	# global background editing & profile work differently: should both
12	# start out blank with a "load from option"?
13	#
14	# idea:
15	# a scroll list for all histogram refinement flags ; click on takes you to the
16	# appropriate menu.
17	#
18	# to allow "global" access on phase page
19	# change buttons from radio to multiple
20	# -- or display all 9 cell flag/damps and all atoms
21	# make editMultipleRecords work with multiple phases, also cell flag/damp
22	# blank cell entries
23	# add phase to atom number in listing
24	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
25
26	if {$tcl_version < 8.0} {
27	tk_dialog .expFileErrorMsg "Version Error" \
28	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
29	exit
30	}
31
32	if {$argv != ""} {
33	set expgui(expfile) $argv
34	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
35	append expgui(expfile) ".EXP"
36	}
37	} else {
38	set expgui(expfile) {}
39	}
40
41	set expgui(debug) 0
42	catch {if $env(DEBUG) {set expgui(debug) 1}}
43	#set expgui(debug) 1
44
45	set expgui(havetix) 1
46	# for debugging non-Tix version set environment variable NOTIX
47	catch {if $env(NOTIX) {set expgui(havetix) 0}}
48	if $expgui(havetix) {
49	if [catch {package require Tix}] {set expgui(havetix) 0}
50	}
51	# default is archive = on
52	set expgui(archive) 1
53	# save the name of the wish executable
54	set wishshell [info nameofexecutable]
55	# misc constants
56	set expgui(coordfont) "--courier-bold-r-normal--12-"
57	set expgui(histfont) "--courier-bold-r-normal--12-"
58	set liveplot(hst) 1
59	set liveplot(legend) 1
60	set expgui(filesort) 1
61
62	#=============================================================================
63	# Store names of profile terms.
64	array set expgui {
65	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
66	sig-2 rsca s1ec s2ec }
67	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
68	gam-2 switch ptec stec difc difa zero }
69	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
70	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
71	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
72	rstr rsta rsca eta}
73	prof-C-1 {CW-type U V W asym F1 F2 }
74	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
75	L11 L22 L33 L12 L13 L23 }
76	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
77	L11 L22 L33 L12 L13 L23 }
78	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
79	}
80	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
81	#----------------------------------------------------------------
82	# where are we?
83	set expgui(script) [info script]
84	# translate links -- go six levels deep
85	foreach i {1 2 3 4 5 6} {
86	if {[file type $expgui(script)] == "link"} {
87	set link [file readlink $expgui(script)]
88	if { [file pathtype $link] == "absolute" } {
89	set expgui(script) $link
90	} {
91	set expgui(script) [file dirname $expgui(script)]/$link
92	}
93	} else {
94	break
95	}
96	}
97	# fixup relative paths
98	if {[file pathtype $expgui(script)] == "relative"} {
99	set expgui(script) [file join [pwd] $expgui(script)]
100	}
101	set expgui(scriptdir) [file dirname $expgui(script) ]
102	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
103	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
104	#----------------------------------------------------------------
105	# fetch EXP file processing routines
106	source [file join $expgui(scriptdir) readexp.tcl]
107	# commands for running GSAS programs
108	source [file join $expgui(scriptdir) gsascmds.tcl]
109	# contents of GSAS menus
110	source [file join $expgui(scriptdir) gsasmenu.tcl]
111	#---------------------------------------------------------------------------
112	# override options with locally defined values
113	if [file exists [file join $expgui(scriptdir) localconfig]] {
114	source [file join $expgui(scriptdir) localconfig]
115	}
116	if [file exists [file join ~ .gsas_config]] {
117	source [file join ~ .gsas_config]
118	}
119	#---------------------------------------------------------------------------
120	if {$expgui(expfile) != ""} {
121	if ![file exists $expgui(expfile)] {
122	update
123	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
124	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
125	error 0 "Create" "Open other"]
126	if $ans {set expgui(expfile) {}}
127	}
128	}
129	if {$expgui(expfile) == ""} {
130	# windows needs this update or focus gets screwed up after tk_getOpenFile
131	update
132	set expgui(expfile) [getExpFileName old]
133	}
134	if {$expgui(expfile) == ""} exit
135	# you've been warned this .EXP does not exist!
136	if ![file exists $expgui(expfile)] {
137	# 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 $expgui(expfile)
235	}
236
237	proc SaveAsFile {} {
238	global expgui
239	set newexpfile [getExpFileName new]
240	if {$newexpfile == ""} return
241	expwrite $newexpfile
242	set expgui(expfile) $newexpfile
243	catch {cd [string trim [file dirname $expgui(expfile)]]}
244	set expgui(changed) 0
245	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
246	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
247	# set the window/icon title
248	wm title . $expgui(expfile)
249	set expgui(titleunchanged) 1
250	wm iconname . [file tail $expgui(expfile)]
251	}
252
253	# called to read a different .EXP file
254	proc readnewexp {} {
255	global expgui expmap
256	if $expgui(changed) {
257	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
258	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
259	{} 0 "Save and read" "Read without Save" "Cancel read command"]
260	switch $decision {
261	0 { savearchiveexp }
262	1 { }
263	2 { return }
264	}
265	}
266	set newexpfile [getExpFileName old]
267	if {$newexpfile == ""} return
268
269	if ![file exists $newexpfile] {
270	# you've been warned this .EXP does not exist!
271	# create an "empty" exp file
272	createexp $newexpfile \
273	[getstring "title for experiment $newexpfile" 60 0]
274	}
275	set expgui(expfile) $newexpfile
276	catch {cd [string trim [file dirname $expgui(expfile)]]}
277	loadexp $expgui(expfile)
278
279	# select the 1st phase
280	SelectOnePhase [lindex $expmap(phaselist) 0]
281	# select the first histogram in the list by default (if there are any)
282	if {[llength $expmap(histlistboxcontents)] > 0} {
283	set expgui(curhist) 0
284	} else {
285	set expgui(curhist) {}
286	}
287	if !$expgui(havetix) {
288	RaisePage lsFrame
289	} else {
290	.n raise lsPane
291	set expgui(pagenow) lsFrame
292	}
293	}
294
295	#------------- set up data read/write layer ----------------------
296	# trace routine on entryvar
297	proc entvartrace {array elem action} {
298	global expgui entrycmd entryvar
299	if !$entrycmd(trace) return
300
301	catch {
302	if {$entrycmd($elem) == ""} return
303	incr expgui(changed)
304	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
305	if {$entrycmd($elem) == ""} return
306	if [catch {
307	eval $entrycmd($elem) set [list $entryvar($elem)]
308	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
309	after idle {DisplayAllAtoms noreset}
310	}
311	} errmsg] {puts "entvartrace error: $errmsg"}
312	}
313	}
314
315	# disable traces on entryvar until we are ready
316	set entrycmd(trace) 0
317	trace variable entryvar w entvartrace
318
319	#
320	#
321	#
322	##############################################################################
323	##### #####################################################
324	##### PROCEDURES SECTION #####################################################
325	##### #####################################################
326	##############################################################################
327	# reset routine is used for debugging
328	proc reset {} {
329	global expgui script argv
330	set script $expgui(script)
331	set argv $expgui(expfile)
332	# remove traces
333	global entryvar
334	foreach cmd [trace vinfo entryvar] {
335	eval trace vdelete entryvar $cmd
336	}
337	global expgui
338	foreach cmd [trace vinfo expgui(backterms)] {
339	eval trace vdelete entryvar $cmd
340	}
341	foreach cmd [trace vinfo expgui(backtype)] {
342	eval trace vdelete entryvar $cmd
343	}
344	foreach a {
345	exparray expmap expgui entryvar entrycmd
346	expgui_menulist expgui_cmdlist expgui_helplist
347	} {
348	global $a
349	catch {unset $a}
350	}
351	foreach w [winfo children .] {
352	destroy $w
353	}
354
355	uplevel #0 {source $script}
356	}
357
358	# save some of the global options in ~/.gsas_config
359	proc SaveOptions {} {
360	global expgui env tcl_platform
361	set fp [open [file join ~ .gsas_config] a]
362	puts $fp "set expgui(archive) $expgui(archive)"
363	puts $fp "set expgui(asorttype) $expgui(asorttype)"
364	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
365	puts $fp "set expgui(filesort) $expgui(filesort)"
366	if {$tcl_platform(platform) != "windows"} {
367	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
368	}
369	close $fp
370	}
371
372	proc About { } {
373	global expgui expmap
374	tk_dialog .about {About...} \
375	"EXPGUI\n\
376	Jonathan Wasserman and Brian Toby\n\
377	NIST Center for Neutron Research\n\n\
378	1998, Not subject to copyright\n\n\
379	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
380	Generalized Structure Analysis System (GSAS)\n\
381	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
382	" \
383	info 0 OK
384	}
385
386	# wait until idle
387	proc afterawhile {} {
388	# cancel any other instances of this loop
389	after cancel afterawhile
390	after cancel whenidle
391	after cancel whenidle
392	after idle whenidle
393	}
394
395	proc whenidle {} {
396	global expgui
397	if $expgui(titleunchanged) {
398	if {$expgui(changed) != 0} {
399	wm title . "$expgui(expfile) (modified)"
400	set expgui(titleunchanged) 0
401	}
402	}
403	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
404	if {$expgui(changed) == 0} {
405	set ans [tk_dialog .expFileErrorMsg "Reload?" \
406	"File [file tail $expgui(expfile)] has been modified by another program. \
407	Do you want to load the newer version or lose the modifications \
408	by editing the current version?" \
409	warning 0 "Load new" "Continue editing"]
410	} else {
411	set ans [tk_dialog .expFileErrorMsg "Reload?" \
412	"File [file tail $expgui(expfile)] has been modified by another program \
413	and you have made $expgui(changed) changes to this version. \
414	Do you want to load the newer version or lose the modifications \
415	by continuing to edit the current version?" \
416	warning 0 "Load new" "Continue editing" "Save edited version"]
417	}
418	if {$ans == 0} {
419	loadexp $expgui(expfile)
420	} elseif {$ans == 1} {
421	# reset the time to the next version
422	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
423	} elseif {$ans == 2} {
424	savearchiveexp
425	}
426	}
427	after 2000 afterawhile
428	}
429	# -------- called to confirm before exiting
430	proc catchQuit {} {
431	if {[confirmBeforeSave] == "Continue"} {
432	destroy .
433	}
434	}
435	# save the .EXP file before exiting?
436	proc confirmBeforeSave {} {
437	global expgui
438	if !$expgui(changed) {
439	return "Continue"
440	}
441	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
442	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
443	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
444	switch $decision {
445	0 { savearchiveexp; return "Continue" }
446	1 { return "Continue" }
447	2 { return "Cancel" }
448	}
449	}
450
451	proc archiveexp {} {
452	global expgui tcl_platform
453	catch {
454	set expnam [file rootname $expgui(expfile)]
455	if {$tcl_platform(platform) == "windows"} {
456	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
457	# archive w/o pkzip
458	set files [glob -nocomplain ${expnam}!*.exp]
459	if {$files == ""} {
460	set num -1
461	} else {
462	set file [lindex [lsort -decreasing $files] 0]
463	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
464	}
465	set file $expnam![format "%3.3d" [incr num]].EXP
466	file copy $expnam.EXP $file
467	set fp [open $expnam.lst a]
468	puts $fp "\n--------------------------------------------------------------"
469	puts $fp "Archiving $expnam.EXP as $file"
470	puts $fp "--------------------------------------------------------------\n"
471	close $fp
472	} else {
473	# archive with PKZIP
474	# need to limit expnam to 8 characters
475	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
476	# PKZIP can't handle long dir names either
477	cd [set dir [file dirname $expnam]]
478	set num -1
479	# get the versions from the listing
480	if [file exists $sexp.zip] {
481	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
482	while {[gets $fp line] >= 0} {
483	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
484	catch {if {$n > $num} {set num $n}}
485	}
486	close $fp
487	}
488	incr num
489	set file $sexp.[format "%3.3d" $num]
490	file copy -force $expnam.EXP $file
491	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
492	set fp [open $expnam.lst a]
493	puts $fp "\n--------------------------------------------------------------"
494	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
495	puts $fp "--------------------------------------------------------------\n"
496	close $fp
497	}
498	} else {
499	set files [glob -nocomplain $expnam.EXP.*]
500	if {$files == ""} {
501	set file $expnam.EXP.000
502	} else {
503	set file [lindex [lsort -decreasing $files] 0]
504	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
505	incr number
506	set file $expnam.EXP.[format "%3.3d" $number]
507	}
508	exec cp $expgui(expfile) $file
509	if [catch {exec gzip $file}] {
510	exec echo "\n----------------------------------------------" >> $expnam.LST
511	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
512	exec echo "----------------------------------------------\n" >> $expnam.LST
513	} else {
514	exec echo "\n----------------------------------------------" >> $expnam.LST
515	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
516	exec echo "----------------------------------------------\n" >> $expnam.LST
517	}
518	}
519	} errmsg
520	if {$errmsg != ""} {
521	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
522	}
523	}
524
525	# save and optionally archive the expfile
526	proc savearchiveexp {} {
527	global expgui expmap
528	if !$expgui(changed) return
529	if $expgui(archive) archiveexp
530	# add a history record
531	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
532	# now save the file
533	expwrite $expgui(expfile)
534	set expgui(changed) 0
535	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
536	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
537	wm title . $expgui(expfile)
538	set expgui(titleunchanged) 1
539	}
540
541	# set the number of phases on the phase page
542	proc setphases {} {
543	global expgui expmap
544	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
545	foreach num $expmap(phaselist) {
546	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
547	-command "SelectOnePhase $num"] -side left
548	}
549	}
550
551	# Procedure to respond to changes the phase.
552	# This loads the "phases" widgets with data corresponding to the selected phase.
553	proc SelectOnePhase {num} {
554	global entryvar entrycmd expmap expgui
555	foreach n $expmap(phaselist) {
556	if {$n == $num} {
557	$expgui(phaseFrame).top.ps.$num config -relief sunken
558	} else {
559	$expgui(phaseFrame).top.ps.$n config -relief raised
560	}
561	}
562	set crsPhase $num
563	# no phase is selected
564	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
565	# disable traces on entryvar
566	set entrycmd(trace) 0
567	set entrycmd(phasename) ""
568	set entryvar(phasename) ""
569	foreach ent {a b c alpha beta gamma cellref celldamp} {
570	set entrycmd($ent) ""
571	set entryvar($ent) ""
572	}
573	set expgui(curPhase) {}
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	# save the scrolled position
622	set pos [lindex [$expgui(atomlistbox) yview] 0]
623	} else {
624	# this is a reset -- clear the selected atoms list
625	set expgui(selectedatomlist) {}
626	}
627	$expgui(atomlistbox) delete 0 end
628	# loop over atoms
629	set maxline I
630	set phase $expgui(curPhase)
631	set atomlist {}
632	if {$expgui(asorttype) == "type"} {
633	# sort on atom type
634	foreach atom $expmap(atomlist_$phase) {
635	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
636	}
637	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
638	} elseif {$expgui(asorttype) == "number"} {
639	# sort on atom number
640	foreach atom $expmap(atomlist_$phase) {
641	lappend atomlist "$atom $atom $phase"
642	}
643	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
644	} elseif {$expgui(asorttype) == "x"} {
645	# sort on x
646	foreach atom $expmap(atomlist_$phase) {
647	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
648	}
649	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
650	} elseif {$expgui(asorttype) == "y"} {
651	# sort on y
652	foreach atom $expmap(atomlist_$phase) {
653	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
654	}
655	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
656	} elseif {$expgui(asorttype) == "z"} {
657	# sort on z
658	foreach atom $expmap(atomlist_$phase) {
659	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
660	}
661	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
662	} else {
663	error "Bad expgui(asorttype = $expgui(asorttype)"
664	}
665
666	foreach tuple $expmap(atomlistboxcontents) {
667	set atom [lindex $tuple 0]
668	set phase [lindex $tuple 2]
669	set refflag {}
670	foreach type {x u f} {
671	if {[atominfo $phase $atom ${type}ref]} {
672	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
673	} else {
674	append refflag " [atominfo $phase $atom ${type}damp] "
675	}
676	}
677	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
678	$atom \
679	[atominfo $phase $atom label] \
680	[atominfo $phase $atom type] \
681	$refflag \
682	[atominfo $phase $atom x] \
683	[atominfo $phase $atom y] \
684	[atominfo $phase $atom z] \
685	[atominfo $phase $atom frac]
686	]
687	# add temperature factors (iso/anoiso)
688	if {[atominfo $phase $atom temptype] == "A"} {
689	set maxline A
690	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
691	[atominfo $phase $atom U11] \
692	[atominfo $phase $atom U22] \
693	[atominfo $phase $atom U33] \
694	[atominfo $phase $atom U12] \
695	[atominfo $phase $atom U23] \
696	[atominfo $phase $atom U13]
697	]
698	} else {
699	append line [format " %9.5f" \
700	[atominfo $phase $atom Uiso]
701	]
702	}
703	$expgui(atomlistbox) insert end $line
704	}
705	$expgui(atomtitle) delete 0 end
706	if {$maxline == "A"} {
707	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
708	" name " "type " "ref/damp " "fractional coordinates " \
709	" Occupancy" \
710	"Uiso/Uij "]
711	} else {
712	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
713	" name " "type " "ref/damp " "fractional coordinates " \
714	" Occupancy" \
715	"Uiso"]
716	}
717	if {$mode != "reset"} {
718	# restore the selected items
719	foreach i $expgui(selectedatomlist) {
720	$expgui(atomlistbox) selection set $i
721	}
722	# restore the last scrolled position
723	$expgui(atomlistbox) yview moveto $pos
724	}
725	set expgui(noreenterDisplayAllAtoms) 0
726	}
727
728	# Procedure to select all atoms in response to a right-click
729	proc SelectAllAtoms {} {
730	global expgui
731	$expgui(atomlistbox) selection set 0 end
732	# call editRecord in case trace was called before the selection was made
733	editRecord
734	}
735
736	# Procedure to respond to left mouse release in the atoms Pane
737	proc editRecord { args } {
738	global entrycmd expgui
739	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
740	# disable traces on entryvar for right now
741	set entrycmd(trace) 0
742
743	if {[llength $expgui(selectedatomlist)] == 0} {
744	puts "How did this happen: [$expgui(atomlistbox) curselection]"
745	} elseif {[llength $expgui(selectedatomlist)] == 1} {
746	editOneRecord $expgui(selectedatomlist)
747	} else {
748	editMultipleRecords $expgui(selectedatomlist)
749	}
750	# reenable traces on entryvar
751	set entrycmd(trace) 1
752	# repaint the atoms box in case anything was changed
753	# DisplayAllAtoms noreset
754	}
755
756	proc editOneRecord { AtomIndex } {
757	global expmap expgui
758	# get atom number & phase
759	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
760	set atomnum [lindex $tuple 0]
761	set p [lindex $tuple 2]
762	DisplayU $atomnum $p
763	DisplayAtom $atomnum $p
764	DisplayRefFlags $atomnum $p
765	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
766	}
767
768	# this will not work for a multi-phase list of atoms (yet)
769	proc editMultipleRecords { AtomIndexList } {
770	global expmap expgui
771	set numberList {}
772	# current phase
773	set p $expgui(curPhase)
774	foreach AtomIndex $AtomIndexList {
775	# get atom number & phase
776	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
777	lappend numberList [lindex $tuple 0]
778	# set p [lindex $tuple 2]
779	}
780	# this needs to track by phase
781	$expgui(EditingAtoms) config -text \
782	"Set refinement options: atoms [CompressList $numberList]"
783	DisplayU 0 0
784	DisplayAtom 0 0
785	# this needs to track by phase
786	DisplayRefFlags $numberList $p
787	}
788
789	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
790	# becomes "1-4,6,7,13-15,19"
791	proc CompressList {numberList} {
792	# format the number list to save space
793	set lastnum -99
794	set flist {}
795	set count 0
796	foreach num [lsort -integer $numberList] {
797	set next [expr $lastnum+1]
798	if {$num != $next} {
799	if {$count == 0 && $flist != ""} {
800	append flist ",$num"
801	} elseif {$count == 1 && $flist != ""} {
802	append flist ",$lastnum,$num"
803	} elseif {$flist != ""} {
804	append flist "-$lastnum,$num"
805	} else {
806	append flist "$num"
807	}
808	set lastnum $num
809	set count 0
810	} else {
811	incr count
812	incr lastnum
813	}
814	}
815	if {$count == 1 && $flist != ""} {
816	append flist ",$lastnum"
817	} elseif {$flist != "" && $count > 1} {
818	append flist "-$lastnum"
819	}
820	return $flist
821	}
822
823	# Procedure to display Isotropic or Anisotropic temperature factors
824	# Changes the display to one entry widget for Isotropic motion OR
825	# 6 entry widgets for Anisotropic motion in Frame3.
826	# or disables the widet entirly if atom = 0
827	proc DisplayU { atomnum p} {
828	global expgui entryvar entrycmd
829	if {$atomnum == 0} {
830	set iOrA disable
831	} else {
832	set iOrA [atominfo $p $atomnum temptype]
833	}
834
835	set firstbox [lindex $expgui(anisolabels) 0]
836	if { $iOrA == "A" } {
837	$firstbox config -text "U11 "
838	foreach item $expgui(anisolabels) {
839	$item config -fg black
840	}
841	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
842	set entrycmd($var) "atominfo $p $atomnum $var"
843	set entryvar($var) [eval $entrycmd($var)]
844	$item config -fg black -state normal -bg white
845	}
846	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
847	foreach item $expgui(anisolabels) {
848	# $item config -fg grey
849	$item config -fg beige
850	}
851	foreach item [lrange $expgui(anisoentry) 1 end] \
852	var {U22 U33 U12 U13 U23} {
853	set entrycmd($var) ""
854	set entryvar($var) ""
855	$item config -fg beige -bg beige -state disabled
856	}
857	if { $iOrA == "disable"} {
858	set entrycmd($var) ""
859	set entryvar($var) ""
860	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
861	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
862	} else {
863	set entrycmd(U11) "atominfo $p $atomnum Uiso"
864	set entryvar(U11) [eval $entrycmd(U11)]
865	$firstbox config -text Uiso -fg black
866	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
867	}
868	}
869	}
870
871	# need to think about multiple phases
872
873	# Procedure to display refinement flags
874	proc DisplayRefFlags { atomnum p} {
875	global expgui entryvar entrycmd
876	if {$atomnum == 0} {
877	foreach label $expgui(atomreflbl) {
878	$label config -fg beige
879	}
880	foreach entry $expgui(atomref) {
881	$entry config -state disabled -fg beige -bg beige
882	}
883	return
884	}
885	foreach label $expgui(atomreflbl) {
886	$label config -fg black
887	}
888	foreach entry $expgui(atomref) {
889	$entry config -state normal -fg black -bg beige
890	}
891	foreach var {xref uref fref xdamp udamp fdamp} {
892	set entrycmd($var) "atominfo $p [list $atomnum] $var"
893	set entryvar($var) [eval $entrycmd($var)]
894	}
895	}
896
897	# Procedure to display an atom in the atom edit boxes
898	proc DisplayAtom { atomnum p} {
899	global expgui entryvar entrycmd
900	if {$atomnum == 0} {
901	foreach label $expgui(atomlabels) {
902	$label config -fg beige
903	}
904	foreach entry $expgui(atomentry) {
905	$entry config -state disabled -fg beige -bg beige
906	}
907	return
908	}
909	foreach label $expgui(atomlabels) {
910	$label config -fg black
911	}
912	foreach entry $expgui(atomentry) {
913	$entry config -state normal -fg black -bg white
914	}
915	foreach var {x y z label frac } {
916	set entrycmd($var) "atominfo $p $atomnum $var"
917	set entryvar($var) [eval $entrycmd($var)]
918	}
919	}
920
921	# update the histogram list
922	# to do: show histogram ref flags?
923	proc sethistlist {} {
924	global expgui expmap
925	foreach lbox $expgui(HistSelectList) {
926	$lbox.title delete 0 end
927	$lbox.lbox delete 0 end
928	if {$expgui(globalmode) != 0} {
929	$lbox.lbox config -selectmode extended
930	} else {
931	$lbox.lbox config -selectmode browse
932	}
933	}
934	# disable the unallowed pages in all mode
935	if {$expgui(globalmode) == 6} {
936	foreach pair $expgui(GlobalModeAllDisable) {
937	if {$expgui(pagenow) == [lindex $pair 0]} {
938	if !$expgui(havetix) {
939	RaisePage lsFrame
940	} else {
941	.n raise lsPane
942	set expgui(pagenow) lsFrame
943	}
944	}
945	eval [lindex $pair 1] -state disabled
946	}
947	} else {
948	foreach pair $expgui(GlobalModeAllDisable) {
949	eval [lindex $pair 1] -state normal
950	}
951	}
952	set histlist {}
953	if {$expgui(hsorttype) == "type"} {
954	# sort on histogram type
955	foreach h [lsort -integer -increasing $expmap(powderlist)] {
956	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
957	}
958	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
959	} elseif {$expgui(hsorttype) == "number"} {
960	# sort on histogram number
961	foreach h [lsort -integer -increasing $expmap(powderlist)] {
962	lappend histlist "$h $h"
963	}
964	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
965	} elseif {$expgui(hsorttype) == "bank"} {
966	# sort on original bank number
967	foreach h [lsort -integer -increasing $expmap(powderlist)] {
968	lappend histlist "$h [histinfo $h bank]"
969	}
970	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
971	} elseif {$expgui(hsorttype) == "angle"} {
972	# sort on wavelength (CW) or angle (E disp.)
973	foreach h [lsort -integer -increasing $expmap(powderlist)] {
974	if {[string range $expmap(htype_$h) 2 2] == "T"} {
975	set det [format %8.2f [histinfo $h tofangle]]
976	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
977	set det [format %8.5f [histinfo $h lam1]]
978	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
979	set det [format %8.2f [histinfo $h lam1]]
980	} else {
981	set det {}
982	}
983	lappend histlist "$h $det"
984	}
985	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
986	}
987
988	# title field needs to match longest title
989	foreach lbox $expgui(HistSelectList) {
990	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
991	"h#" \
992	type \
993	bank \
994	"ang/wave" \
995	" title" \
996	]
997	}
998	foreach tuple $expmap(histlistboxcontents) {
999	set h [lindex $tuple 0]
1000
1001	if {$expgui(globalmode) == 1} {
1002	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1003	} elseif {$expgui(globalmode) == 2} {
1004	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1005	} elseif {$expgui(globalmode) == 3} {
1006	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1007	[histinfo $h lam2] == 0.0} continue
1008	} elseif {$expgui(globalmode) == 4} {
1009	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1010	[histinfo $h lam2] != 0.0} continue
1011	} elseif {$expgui(globalmode) == 5} {
1012	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1013	}
1014
1015	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1016	set det [format %8.2f [histinfo $h tofangle]]
1017	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1018	set det [format %8.5f [histinfo $h lam1]]
1019	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1020	set det [format %8.2f [histinfo $h lam1]]
1021	} else {
1022	set det {}
1023	}
1024	foreach lbox $expgui(HistSelectList) {
1025	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1026	$h \
1027	[string range $expmap(htype_$h) 1 2] \
1028	[histinfo $h bank] \
1029	$det \
1030	[string range [histinfo $h title] 0 66] \
1031	]
1032	}
1033	}
1034	foreach set $expgui(frameactionlist) {
1035	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1036	}
1037	}
1038
1039	#-----------------------------------------------------------------------
1040	# ----------- draw Histogram page
1041	#-----------------------------------------------------------------------
1042	proc DisplayHistogram {} {
1043	global expgui entrycmd entryvar expmap
1044
1045	# display the selected histograms
1046	$expgui(histFrame).hs.lbox selection clear 0 end
1047	foreach h $expgui(curhist) {
1048	$expgui(histFrame).hs.lbox selection set $h
1049	}
1050
1051	# disable traces on entryvar for right now
1052	set entrycmd(trace) 0
1053
1054	# get histogram list
1055	set histlist {}
1056	foreach item $expgui(curhist) {
1057	lappend histlist [lindex $expmap(powderlist) $item]
1058	}
1059	# must have at least one histogram selected here
1060	if {[llength $histlist] == 0} {
1061	set expgui(backtermlbl) ""
1062	set expgui(backtypelbl) ""
1063	foreach var {bref bdamp} {
1064	set entrycmd($var) ""
1065	set entryvar($var) ""
1066	}
1067	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1068	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1069	set expgui(bkglbl) ""
1070	eval destroy [grid slaves $expgui(diffBox)]
1071	set entrycmd(trace) 1
1072	return
1073	}
1074
1075	if {$expgui(globalmode) != 0} {
1076	set expgui(backtermlbl) ""
1077	set expgui(backtypelbl) ""
1078	foreach var {bref bdamp} {
1079	set entrycmd($var) "histinfo [list $histlist] $var"
1080	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1081	}
1082	} else {
1083	set hist $histlist
1084	set terms [histinfo $hist backterms]
1085	set expgui(backtermlbl) "($terms terms)"
1086	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1087	foreach var {bref bdamp} {
1088	set entrycmd($var) "histinfo $hist $var"
1089	set entryvar($var) [eval $entrycmd($var)]
1090	}
1091	}
1092	# Top box
1093	if {$expgui(globalmode) != 0} {
1094	$expgui(histFrame).top.txt config \
1095	-text "Selected Histograms: [CompressList $histlist]"
1096	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1097	set expgui(bkglbl) "Globally Edit Background"
1098	} else {
1099	grid forget $expgui(histFrame).top
1100	set expgui(bkglbl) "Edit Background"
1101	}
1102
1103	# diffractometer constants
1104	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1105	wref pref dcref daref ratref ttref zref } {
1106	set entrycmd($var) "histinfo [list $histlist] $var"
1107	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1108	}
1109
1110	eval destroy [grid slaves $expgui(diffBox)]
1111	if {$expgui(globalmode) == 0} {
1112	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1113	#------
1114	# TOF \|
1115	#------
1116	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1117	-column 1 -row 1
1118	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1119	-column 2 -row 1
1120	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1121	-column 3 -row 1 -sticky w
1122	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1123	-width 15 ] -column 4 -row 1
1124	#
1125	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1126	-column 1 -row 2
1127	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1128	-column 2 -row 2
1129	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1130	-column 3 -row 2
1131	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1132	-width 15 ] -column 4 -row 2
1133	#
1134	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1135	-column 3 -row 3
1136	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1137	-width 15 ] -column 4 -row 3
1138	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1139	-column 1 -row 3 -sticky w
1140	grid [ checkbutton $expgui(diffBox).rfDCzref \
1141	-variable entryvar(zref) ] -column 2 -row 3
1142	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1143	#---------------
1144	# CW - neutron \|
1145	#---------------
1146	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1147	-column 1 -row 1
1148	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1149	-column 2 -row 1
1150	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1151	-column 3 -row 1 -sticky w
1152	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1153	-width 15 ] -column 4 -row 1
1154	#
1155	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1156	-column 1 -row 3 -sticky w
1157	grid [ checkbutton $expgui(diffBox).rfDCzref \
1158	-variable entryvar(zref) ] -column 2 -row 3
1159	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1160	-column 3 -row 3
1161	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1162	-width 15 ] -column 4 -row 3
1163	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1164	[histinfo $hist lam2] == 0.0} {
1165	#--------------------------
1166	# CW - x-ray 1 wavelength \|
1167	#--------------------------
1168	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1169	-column 1 -row 1
1170	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1171	-column 2 -row 1
1172	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1173	-column 3 -row 1 -sticky w
1174	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1175	-width 15 ] -column 4 -row 1
1176	#
1177	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1178	-column 1 -row 3 -sticky w
1179	grid [ checkbutton $expgui(diffBox).rfDCzref \
1180	-variable entryvar(zref) ] -column 2 -row 3
1181	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1182	-column 3 -row 3
1183	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1184	-width 15 ] -column 4 -row 3
1185	#
1186	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1187	-column 1 -row 4 -sticky w
1188	grid [ checkbutton $expgui(diffBox).rfDCpref \
1189	-variable entryvar(pref) ] -column 2 -row 4
1190	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1191	-column 3 -row 4
1192	grid [ entry $expgui(diffBox).eDCpola \
1193	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1194	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1195	-column 5 -row 4
1196	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1197	-textvariable entryvar(ipola)] -column 6 -row 4
1198	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1199	#---------------------------
1200	# CW - x-ray 2 wavelengths \|
1201	#---------------------------
1202	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1203	-column 3 -row 1 -sticky w
1204	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1205	-width 15 ] -column 4 -row 1
1206	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1207	-width 15 ] -column 5 -row 1
1208	#
1209	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1210	-column 1 -row 2 -sticky w
1211	grid [ checkbutton $expgui(diffBox).rfDCrref \
1212	-variable entryvar(ratref) ] -column 2 -row 2
1213	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1214	-column 3 -row 2
1215	grid [ entry $expgui(diffBox).eDCkratio \
1216	-textvariable entryvar(kratio) \
1217	-width 15 ] -column 4 -row 2
1218	#
1219	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1220	-column 3 -row 3
1221	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1222	-width 15 ] -column 4 -row 3
1223	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1224	-column 1 -row 3 -sticky w
1225	grid [ checkbutton $expgui(diffBox).rfDCzref \
1226	-variable entryvar(zref) ] -column 2 -row 3
1227	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1228	-column 1 -row 4 -sticky w
1229	grid [ checkbutton $expgui(diffBox).rfDCpref \
1230	-variable entryvar(pref) ] -column 2 -row 4
1231	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1232	-column 3 -row 4
1233	grid [ entry $expgui(diffBox).eDCpola \
1234	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1235	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1236	-column 5 -row 4
1237	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1238	-textvariable entryvar(ipola)] -column 6 -row 4
1239	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1240	#-------------
1241	# ED - x-ray \|
1242	#-------------
1243	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1244	-column 1 -row 1
1245	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1246	-column 2 -row 1
1247	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1248	-column 3 -row 1 -sticky w
1249	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1250	-width 15 ] -column 4 -row 1
1251	#
1252	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1253	-column 1 -row 4 -sticky w
1254	grid [ checkbutton $expgui(diffBox).rfDCpref \
1255	-variable entryvar(pref) ] -column 2 -row 4
1256	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1257	-column 3 -row 4
1258	grid [ entry $expgui(diffBox).eDCpola \
1259	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1260	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1261	-column 5 -row 4
1262	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1263	-textvariable entryvar(ipola)] -column 6 -row 4
1264	}
1265	} elseif {$expgui(globalmode) == 1} {
1266	#-------------
1267	# Global TOF \|
1268	#-------------
1269	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1270	-column 1 -row 1
1271	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1272	-column 2 -row 1
1273	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1274	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1275	#
1276	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1277	-column 1 -row 2
1278	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1279	-column 2 -row 2
1280	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1281	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1282	#
1283	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1284	-column 1 -row 3 -sticky w
1285	grid [ checkbutton $expgui(diffBox).rfDCzref \
1286	-variable entryvar(zref) ] -column 2 -row 3
1287	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1288	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1289	} elseif {$expgui(globalmode) == 2} {
1290	#--------------------
1291	# Global CW neutron \|
1292	#--------------------
1293	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1294	-column 1 -row 1
1295	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1296	-column 2 -row 1
1297	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1298	-command "editglobalparm histinfo lam1 Wavelength"] \
1299	-column 3 -row 1
1300	#
1301	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1302	-column 1 -row 3 -sticky w
1303	grid [ checkbutton $expgui(diffBox).rfDCzref \
1304	-variable entryvar(zref) ] -column 2 -row 3
1305	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1306	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1307	} elseif {$expgui(globalmode) == 4} {
1308	#----------------------
1309	# Global CW mono xray \|
1310	#----------------------
1311	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1312	-column 1 -row 1
1313	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1314	-column 2 -row 1
1315	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1316	-command "editglobalparm histinfo lam1 Wavelength"] \
1317	-column 3 -row 1
1318	#
1319	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1320	-column 1 -row 3 -sticky w
1321	grid [ checkbutton $expgui(diffBox).rfDCzref \
1322	-variable entryvar(zref) ] -column 2 -row 3
1323	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1324	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1325	#
1326	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1327	-column 1 -row 4 -sticky w
1328	grid [ checkbutton $expgui(diffBox).rfDCpref \
1329	-variable entryvar(pref) ] -column 2 -row 4
1330	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1331	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1332	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1333	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1334	} elseif {$expgui(globalmode) == 3} {
1335	#------------------------
1336	# Global alpha 1,2 xray \|
1337	#------------------------
1338	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1339	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1340	-column 3 -row 1
1341	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1342	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1343	-column 4 -row 1
1344	#
1345	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1346	-column 1 -row 3 -sticky w
1347	grid [ checkbutton $expgui(diffBox).rfDCratref \
1348	-variable entryvar(ratref) ] -column 2 -row 3
1349	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1350	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1351	-column 3 -row 3
1352	#
1353	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1354	-column 1 -row 3 -sticky w
1355	grid [ checkbutton $expgui(diffBox).rfDCzref \
1356	-variable entryvar(zref) ] -column 2 -row 3
1357	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1358	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1359	#
1360	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1361	-column 1 -row 4 -sticky w
1362	grid [ checkbutton $expgui(diffBox).rfDCpref \
1363	-variable entryvar(pref) ] -column 2 -row 4
1364	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1365	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1366	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1367	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1368	} elseif {$expgui(globalmode) == 5} {
1369	#-----------------
1370	# Global ED xray \|
1371	#-----------------
1372	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1373	-column 1 -row 1
1374	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1375	-column 2 -row 1
1376	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1377	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1378	-column 3 -row 1
1379	#
1380	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1381	-column 1 -row 4 -sticky w
1382	grid [ checkbutton $expgui(diffBox).rfDCpref \
1383	-variable entryvar(pref) ] -column 2 -row 4
1384	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1385	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1386	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1387	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1388	}
1389	if {$expgui(globalmode) == 0} {
1390	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1391	-columnspan 2 -sticky e
1392	} else {
1393	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1394	-columnspan 2 -sticky e
1395	}
1396	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1397	-column 1 -row 1
1398	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1399	grid $expgui(diffBox).d.om -column 2 -row 1
1400	grid columnconfigure $expgui(diffBox) 9 -weight 1
1401	grid columnconfigure $expgui(diffBox) 0 -weight 1
1402	update idletasks
1403	# enable traces on entryvar now
1404	set entrycmd(trace) 1
1405	}
1406
1407	#-----------------------------------------------------------------------
1408	# populate the Scaling page
1409	#-----------------------------------------------------------------------
1410	proc DisplayFrac {} {
1411	global expgui entrycmd entryvar expmap
1412
1413	# display the selected histograms
1414	$expgui(fracFrame).hs.lbox selection clear 0 end
1415	foreach h $expgui(curhist) {
1416	$expgui(fracFrame).hs.lbox selection set $h
1417	}
1418
1419	# disable traces on entryvar
1420	set entrycmd(trace) 0
1421
1422	# get histogram list
1423	set histlist {}
1424	foreach item $expgui(curhist) {
1425	lappend histlist [lindex $expmap(powderlist) $item]
1426	}
1427
1428	# must have at least one histogram selected here
1429	if {[llength $histlist] == 0} {
1430	foreach var {scale sref sdamp} {
1431	set entrycmd($var) ""
1432	set entryvar($var) ""
1433	}
1434	set parm [grid info $expgui(scaleBox).but1]
1435	if {$parm != ""} {
1436	grid forget $expgui(scaleBox).but1
1437	eval grid $expgui(scaleBox).ent1 $parm
1438	}
1439	# destroy the contents of the frame
1440	set phaseFractf1 $expgui(FracBox).f
1441	eval destroy [grid slaves $phaseFractf1]
1442	# reenable traces on entryvar
1443	set entrycmd(trace) 1
1444	return
1445	}
1446
1447	#--------------
1448	# Scale factor
1449	#--------------
1450	if {$expgui(globalmode) != 0} {
1451	foreach var {scale sref sdamp} {
1452	set entrycmd($var) "histinfo [list $histlist] $var"
1453	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1454	}
1455	set parm [grid info $expgui(scaleBox).ent1]
1456	if {$parm != ""} {
1457	grid forget $expgui(scaleBox).ent1
1458	eval grid $expgui(scaleBox).but1 $parm
1459	}
1460	} else {
1461	set hist $histlist
1462	foreach var {scale sref sdamp} {
1463	set entrycmd($var) "histinfo $hist $var"
1464	set entryvar($var) [eval $entrycmd($var)]
1465	}
1466	set parm [grid info $expgui(scaleBox).but1]
1467	if {$parm != ""} {
1468	grid forget $expgui(scaleBox).but1
1469	eval grid $expgui(scaleBox).ent1 $parm
1470	}
1471	}
1472
1473	#----------------
1474	# Phase Fractions
1475	#----------------
1476	set phaseFractf1 $expgui(FracBox).f
1477	# destroy the contents of the frame
1478	eval destroy [grid slaves $phaseFractf1]
1479	if {$expgui(globalmode) != 0} {
1480	grid [label $phaseFractf1.txt -anchor center \
1481	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1482	-column 0 -row 0 -sticky news
1483	} else {
1484	grid [label $phaseFractf1.txt -anchor center \
1485	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1486	}
1487	# Create the frame inside the canvas, One frame for each Phase.
1488	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1489	foreach hist $histlist {
1490	foreach i $expmap(phaselist_$hist) {
1491	lappend phasehistlist($i) $hist
1492	}
1493	}
1494	foreach i {1 2 3 4 5 6 7 8 9} {
1495	if {[llength $phasehistlist($i)] == 0} continue
1496	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1497	grid $framePF -column 0 -row $i -sticky ew
1498	# Label Heading for each phase.
1499	if {$expgui(globalmode) != 0} {
1500	grid [label $framePF.l1 \
1501	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1502	-column 0 -row 0 -sticky nws
1503	grid [button $framePF.but1 -text "Set Globally" \
1504	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1505	[list $phasehistlist($i)] $i" \
1506	] -column 1 -row 0
1507	} else {
1508	grid [label $framePF.l1 -text "Phase $i fraction"] \
1509	-column 0 -row 0 -sticky nws
1510	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1511	-column 1 -row 0
1512	}
1513	set entrycmd(frac$i) "hapinfo $hist $i frac"
1514	set entryvar(frac$i) [hapinfo $hist $i frac]
1515	grid [label $framePF.l2 -text " Refine"] \
1516	-column 2 -row 0 -sticky nws
1517	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1518	-column 3 -row 0 -sticky nws
1519	set entrycmd(frref$i) "hapinfo $hist $i frref"
1520	set entryvar(frref$i) [hapinfo $hist $i frref]
1521	grid [label $framePF.l3 -text " Damping"] \
1522	-column 4 -row 0 -sticky nws
1523	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1524	0 1 2 3 4 5 6 7 8 9
1525	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1526	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1527	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1528	}
1529	# resize the scroll window to match the actual
1530	update idletasks
1531	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1532	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1533	update idletasks
1534	# enable traces on entryvar now
1535	set entrycmd(trace) 1
1536	}
1537
1538	#-----------------------------------------------------------------------
1539	# display the profile page
1540	#-----------------------------------------------------------------------
1541	proc DisplayProfile {} {
1542	global expgui entrycmd entryvar expmap
1543	$expgui(profFrame).hs.lbox selection clear 0 end
1544	foreach h $expgui(curhist) {
1545	$expgui(profFrame).hs.lbox selection set $h
1546	}
1547
1548	# destroy the contents of the frame
1549	eval destroy [grid slaves $expgui(ProfileBox).f]
1550
1551	if {$expgui(globalmode) == 0} {
1552	# must have at least one histogram selected here
1553	if {[llength $expgui(curhist)] == 0} return
1554	# disable traces on entryvar for right now
1555	set entrycmd(trace) 0
1556	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1557	# Create one frame for each Phase.
1558	set ind -1
1559	set htype [string range $expmap(htype_$hist) 2 2]
1560	foreach i $expmap(phaselist_$hist) {
1561	incr ind
1562	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1563	-column 0 -row $ind -sticky ew
1564	grid [frame $expgui(ProfileBox).f.$i.1] \
1565	-column 0 -row 0 -columnspan 10 -sticky ew
1566	# Label Heading for each phase.
1567	set ptype [string trim [hapinfo $hist $i proftype]]
1568	pack [label $expgui(ProfileBox).f.$i.1.l \
1569	-text "Phase $i -- type $ptype Damping"]\
1570	-side left
1571	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1572	0 1 2 3 4 5 6 7 8 9
1573	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1574	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1575	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1576	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1577	-text " Peak cutoff"]\
1578	-side left
1579	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1580	-width 10 -textvariable entryvar(pcut_$i)]\
1581	-side left
1582	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1583	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1584
1585	set col -1
1586	set row 1
1587	set nterms [hapinfo $hist $i profterms]
1588	set lbls {}
1589	catch {set lbls $expgui(prof-$htype-$ptype)}
1590	# for type 4, add extra terms depending on the cell type
1591	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1592	for { set num 1 } { $num <= $nterms } { incr num } {
1593	set term {}
1594	catch {set term [lindex $lbls $num]}
1595	if {$term == ""} {set term $num}
1596	incr col
1597	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1598	-row $row -column $col
1599	incr col
1600	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1601	-variable entryvar(pref${num}_$i)] -row $row -column $col
1602	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1603	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1604	incr col
1605	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1606	-textvariable entryvar(pterm${num}_$i)\
1607	-width 12] -row $row -column $col
1608	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1609	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1610	if {$col > 6} {set col -1; incr row}
1611	}
1612	}
1613	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1614	} else {
1615	# get histogram list
1616	set histlist {}
1617	foreach item $expgui(curhist) {
1618	lappend histlist [lindex $expmap(powderlist) $item]
1619	}
1620	# must have at least one histogram selected here
1621	if {[llength $histlist] == 0} return
1622	# disable traces on entryvar for right now
1623	set entrycmd(trace) 0
1624	# loop through histograms & phases, set up an array by type
1625	catch {unset ptypearray histarray phasearray}
1626	foreach hist $histlist {
1627	foreach i $expmap(phaselist_$hist) {
1628	set ptype [string trim [hapinfo $hist $i proftype]]
1629	lappend ptypearray(${ptype}_$i) $hist
1630	lappend histarray($ptype) $hist
1631	lappend phasearray($ptype) $i
1632	}
1633	}
1634
1635	set ptype ""
1636	set title ""
1637	set ind -1
1638	foreach key "[lsort [array names ptypearray]] 0_0" {
1639	# split key
1640	scan $key %d_%d type p
1641	# 1st time through
1642	if {$ptype == ""} {set ptype $type}
1643	if {$ptype == $type} {
1644	# we've seen this one before
1645	if {$title != ""} {append title "\n"}
1646	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1647	} else {
1648	set hist [lindex $histarray($ptype) 0]
1649	set phase [lindex $phasearray($ptype) 0]
1650	set nterms [hapinfo $hist $phase profterms]
1651	set htype [string range $expmap(htype_$hist) 2 2]
1652	set lbls $expgui(prof-$htype-$ptype)
1653	set i $ptype
1654	# Create one frame for this type
1655	incr ind
1656	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1657	-column 0 -row $ind -sticky ew
1658	grid [frame $expgui(ProfileBox).f.$i.0] \
1659	-column 0 -row 0 -columnspan 20 -sticky ew
1660	grid [label $expgui(ProfileBox).f.$i.0.0 \
1661	-text "Profile Type $ptype "] -row 0 -column 0
1662	grid [label $expgui(ProfileBox).f.$i.0.1 \
1663	-text $title -anchor w] -row 0 -column 1
1664	grid [frame $expgui(ProfileBox).f.$i.1] \
1665	-column 0 -row 1 -columnspan 20 -sticky ew
1666	grid [label $expgui(ProfileBox).f.$i.1.2 \
1667	-text "Damping"] -row 0 -column 2
1668	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1669	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1670	set entrycmd(pdamp_$ptype) "hapinfo \
1671	[list $histarray($ptype)] \
1672	[list $phasearray($ptype)] pdamp"
1673	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1674	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1675	grid [button $expgui(ProfileBox).f.$i.1.edit \
1676	-text "Global Edit" \
1677	-command "EditProfile [list $title] \
1678	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1679	] -row 0 -column 4 -sticky w
1680	# for type 4, add extra terms depending on the cell type
1681	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1682	set col -1
1683	set row 2
1684	for { set num 1 } { $num <= $nterms } { incr num } {
1685	set term {}
1686	catch {set term [lindex $lbls $num]}
1687	if {$term == ""} {set term $num}
1688	incr col
1689	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1690	-row $row -column $col
1691	incr col
1692	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1693	-variable entryvar(pref${num}_$i)] \
1694	-row $row -column $col
1695	set entrycmd(pref${num}_$i) "hapinfo \
1696	[list $histarray($ptype)] \
1697	[list $phasearray($ptype)] pref$num"
1698	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1699	if {$col > 10} {set col -1; incr row}
1700	}
1701	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1702	set ptype ""
1703	}
1704	}
1705	}
1706
1707	# resize the scroll window to match the actual
1708	update idletasks
1709	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1710	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1711	update idletasks
1712	# enable traces on entryvar now
1713	set entrycmd(trace) 1
1714	}
1715
1716	# profile labels for type 4 profile
1717	proc type4lbls {lbls nterms phase} {
1718	if {$nterms == 14} {
1719	# cubic
1720	lappend lbls S400 S220
1721	} elseif {$nterms == 15} {
1722	# hexagonal
1723	lappend lbls S400 S004 S202
1724	} elseif {$nterms == 16} {
1725	# tetragonal or rhombohedral
1726	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1727	# rhombohedral
1728	lappend lbls S400 S220 S310 S211
1729	} else {
1730	lappend lbls S400 S004 S220 S202
1731	}
1732	} elseif {$nterms == 18} {
1733	# orthorhombic
1734	lappend lbls S400 S040 S004 S220 S202 S022
1735	} elseif {$nterms == 21} {
1736	# monoclinic
1737	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1738	} elseif {$nterms == 25} {
1739	# triclinic
1740	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1741	S130 S301 S013 S211 S121 S112
1742	}
1743	return $lbls
1744	}
1745
1746	# process the bit settings in the print options
1747	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1748	proc printsetting {bitnum "action get" "value {}"} {
1749	global entryvar expgui
1750	if {$action == "get"} {
1751	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1752	} elseif $value {
1753	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1754	} else {
1755	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1756	}
1757	expinfo print set $newval
1758	set expgui(printopt) "Print Options ([expinfo print])"
1759	}
1760
1761	# need to respond to mouse presses -- control variable associated with extract Fobs
1762	# and set the LeBail extraction flags
1763	proc SetupExtractHist {} {
1764	global expgui entrycmd entryvar expmap
1765
1766	# display the selected histograms
1767	$expgui(lsFrame).hs.lbox selection clear 0 end
1768	foreach h $expgui(curhist) {
1769	$expgui(lsFrame).hs.lbox selection set $h
1770	}
1771
1772	# get histogram list
1773	set histlist {}
1774	foreach item $expgui(curhist) {
1775	set hist [lindex $expmap(powderlist) $item]
1776	if {$hist != ""} {lappend histlist $hist}
1777	}
1778	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1779	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1780	foreach phase {1 2 3 4 5 6 7 8 9} {
1781	$expgui(lsFrame).f1.a.l$phase config -fg grey
1782	set expgui(Fextract$phase) {}
1783	foreach item $expgui(ExtractSettingsRadiobuttons) {
1784	${item}$phase config -state disabled -bd 1
1785	}
1786	}
1787	} elseif {[llength $histlist] == 1} {
1788	# disable traces on entryvar
1789	set entrycmd(trace) 0
1790	set entryvar(fobsextract) [histinfo $histlist foextract]
1791	foreach phase {1 2 3 4 5 6 7 8 9} {
1792	# is the phase present?
1793	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1794	$expgui(lsFrame).f1.a.l$phase config -fg grey
1795	set expgui(Fextract$phase) {}
1796	foreach item $expgui(ExtractSettingsRadiobuttons) {
1797	${item}$phase config -state disabled -bd 1
1798	}
1799	} else {
1800	$expgui(lsFrame).f1.a.l$phase config -fg black
1801	foreach item $expgui(ExtractSettingsRadiobuttons) {
1802	${item}$phase config -state normal -bd 2
1803	}
1804	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1805	}
1806	}
1807	} elseif {[llength $histlist] > 1} {
1808	# disable traces on entryvar
1809	set entrycmd(trace) 0
1810	# multiple histograms need phases in any histogram
1811	foreach phase {1 2 3 4 5 6 7 8 9} {
1812	set gotphase($phase) 0
1813	}
1814	foreach hist $histlist {
1815	foreach phase $expmap(phaselist_$hist) {
1816	set gotphase($phase) 1
1817	}
1818	}
1819	foreach phase {1 2 3 4 5 6 7 8 9} {
1820	set expgui(Fextract$phase) {}
1821	if $gotphase($phase) {
1822	$expgui(lsFrame).f1.a.l$phase config -fg black
1823	foreach item $expgui(ExtractSettingsRadiobuttons) {
1824	${item}$phase config -state normal -bd 2
1825	}
1826	} else {
1827	$expgui(lsFrame).f1.a.l$phase config -fg grey
1828	foreach item $expgui(ExtractSettingsRadiobuttons) {
1829	${item}$phase config -state disabled -bd 1
1830	}
1831	}
1832	}
1833	}
1834	# reenable traces
1835	set entrycmd(trace) 1
1836	}
1837	# respond to a change in the fobs extraction method for a phase
1838	# force the main extraction flag on, if fobs extraction is selected for any phase
1839	proc HistExtractSet {phase} {
1840	global expgui entryvar expmap
1841	foreach item $expgui(curhist) {
1842	lappend histlist [lindex $expmap(powderlist) $item]
1843	}
1844	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1845	incr expgui(changed)
1846	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1847	}
1848	#---------------------------- Global Edit Functions ------------------------
1849	proc editbackground {} {
1850	global expgui expmap entrycmd
1851	set histlist {}
1852	foreach n $expgui(curhist) {
1853	lappend histlist [lindex $expmap(powderlist) $n]
1854	}
1855	if {[llength $histlist] == 0} return
1856
1857	set w .back
1858	catch {destroy $w}
1859	toplevel $w -bg beige
1860	if {$expgui(globalmode) != 0} {
1861	wm title $w "Edit Background"
1862	} else {
1863	wm title $w "Global Edit Background"
1864	}
1865
1866	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1867	] -side top -expand yes -fill both
1868	if {[llength $histlist] > 1} {
1869	grid [label $w.0.a \
1870	-text "Setting background terms for histograms [CompressList $histlist]" \
1871	-bg beige] -row 0 -column 0 -columnspan 10
1872	} else {
1873	grid [label $w.0.a \
1874	-text "Setting background terms for histogram $histlist" \
1875	-bg beige] -row 0 -column 0 -columnspan 10
1876	}
1877	set hist [lindex $histlist 0]
1878	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1879
1880	# disable traces on expgui(backtype) & expgui(backterms) now
1881	set entrycmd(trace) 0
1882
1883	# number of terms
1884	set expgui(backtype) [histinfo $hist backtype]
1885	set expgui(orig_backtype) $expgui(backtype)
1886	set expgui(prev_backtype) $expgui(backtype)
1887	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1888	grid $w.0.type -row 1 -column 1
1889	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1890
1891	# function type
1892	set expgui(backterms) [histinfo $hist backterms]
1893	set expgui(orig_backterms) $expgui(backterms)
1894	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1895	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1896	grid $w.0.terms -row 1 -column 3
1897	# enable traces on expgui(backtype) & expgui(backterms) now
1898	set entrycmd(trace) 1
1899
1900	#set background terms
1901	for {set num 1 } { $num <= 36 } { incr num } {
1902	set var "bterm$num"
1903	set expgui($var) {}
1904	set expgui(orig_$var) {}
1905	}
1906	if {[llength $histlist] == 1} {
1907	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1908	set var "bterm$num"
1909	set expgui($var) [histinfo $histlist $var]
1910	set expgui(orig_$var) $expgui($var)
1911	}
1912	}
1913
1914	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1915	-expand yes -fill both
1916	ShowBackTerms $w.1
1917
1918	set expgui(temp) {}
1919	pack [frame $w.b] -side top
1920	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1921	pack [button $w.b.3 -text Quit \
1922	-command "QuitEditBackground $w"] -side left
1923	# force the window to stay on top
1924	wm transient $w [winfo toplevel [winfo parent $w]]
1925
1926	bind $w <Return> "destroy $w"
1927	wm withdraw $w
1928	update idletasks
1929	# center the new window in the middle of the parent
1930	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
1931	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
1932	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
1933	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
1934	wm geom $w +$x+$y
1935	wm deiconify $w
1936
1937	set oldFocus [focus]
1938	set oldGrab [grab current $w]
1939	if {$oldGrab != ""} {
1940	set grabStatus [grab status $oldGrab]
1941	}
1942	grab $w
1943	focus $w.b.2
1944	tkwait window $w
1945
1946	catch {focus $oldFocus}
1947	if {$oldGrab != ""} {
1948	if {$grabStatus == "global"} {
1949	grab -global $oldGrab
1950	} else {
1951	grab $oldGrab
1952	}
1953	}
1954	if {$expgui(temp) != ""} return
1955
1956	if {$expgui(orig_backtype) != $expgui(backtype)} {
1957	histinfo $histlist backtype set $expgui(backtype)
1958	incr expgui(changed)
1959	}
1960	if {$expgui(orig_backterms) != $expgui(backterms)} {
1961	histinfo $histlist backterms set $expgui(backterms)
1962	incr expgui(changed)
1963	}
1964	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1965	set var "bterm$num"
1966	if {$expgui(orig_$var) != $expgui($var)} {
1967	histinfo $histlist $var set $expgui($var)
1968	incr expgui(changed)
1969	}
1970	}
1971
1972	if {$expgui(globalmode) == 0} {
1973	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1974	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1975	}
1976	}
1977
1978	trace variable expgui(backterms) w ChangeBackTerms
1979	proc ChangeBackTerms {a b c} {
1980	global entrycmd expgui
1981	if !$entrycmd(trace) return
1982	ShowBackTerms .back.1
1983	}
1984
1985	trace variable expgui(backtype) w ChangeBackType
1986	# reset the terms to 1, 0, 0... when the number of terms increase
1987	proc ChangeBackType {a b c} {
1988	global entrycmd expgui
1989	if !$entrycmd(trace) return
1990	if {$expgui(prev_backtype) == $expgui(backtype)} return
1991	set expgui(prev_backtype) $expgui(backtype)
1992	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1993	set var "bterm$num"
1994	if {$num == 1} {
1995	set expgui($var) 1.0
1996	} else {
1997	set expgui($var) 0.0
1998	}
1999	}
2000	}
2001
2002	proc ShowBackTerms {w } {
2003	global expgui expmap
2004	# destroy the contents of the frame
2005	eval destroy [grid slaves $w]
2006	set histlist {}
2007	foreach n $expgui(curhist) {
2008	lappend histlist [lindex $expmap(powderlist) $n]
2009	}
2010	set widgetsPerRow 4
2011	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2012	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2013	set var "bterm$num"
2014	grid [label $w.l$num -text $num -bg beige] \
2015	-row $rows -column $cols -sticky nes
2016	incr cols
2017	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2018	] -row $rows -column $cols -sticky news
2019	incr cols
2020	}
2021	}
2022	}
2023
2024	proc QuitEditBackground {w} {
2025	global expgui
2026	# lets find out if anything changed
2027	set changed 0
2028	if {$expgui(orig_backtype) != $expgui(backtype)} {
2029	set changed 1
2030	}
2031	if {$expgui(orig_backterms) != $expgui(backterms)} {
2032	set changed 1
2033	}
2034	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2035	set var "bterm$num"
2036	if {$expgui(orig_$var) != $expgui($var)} {
2037	set changed 1
2038	break
2039	}
2040	}
2041	if $changed {
2042	set decision [tk_dialog .changes "Abandon Changes" \
2043	"You have made changes to the background. Ok to abandon changes?" \
2044	warning 0 Abandon Keep]
2045	if !$decision {
2046	set expgui(temp) "Quit"
2047	destroy $w
2048	}
2049	} else {
2050	set expgui(temp) "Quit"
2051	destroy $w
2052	}
2053	}
2054
2055	# this probably needs work
2056	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2057	global expgui expmap
2058	set w .global
2059	catch {destroy $w}
2060	toplevel $w -bg beige
2061	wm title $w "Edit Global Parameter"
2062	set expgui(temp) {}
2063	if {[llength $histlist] == 0} {
2064	set hist {}
2065	foreach n $expgui(curhist) {
2066	lappend hist [lindex $expmap(powderlist) $n]
2067	}
2068	} else {
2069	set hist $histlist
2070	}
2071	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2072	-side top -expand yes -fill both
2073	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2074	-bg beige] \
2075	-row 0 -column 0 -columnspan 10
2076	grid [entry $w.0.b -textvariable expgui(temp)] \
2077	-row 1 -column 0
2078
2079
2080	pack [frame $w.b] -side top
2081	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2082	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2083	# force the window to stay on top
2084	wm transient $w [winfo toplevel [winfo parent $w]]
2085
2086	bind $w <Return> "destroy $w"
2087	wm withdraw $w
2088	update idletasks
2089	# center the new window in the middle of the parent
2090	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2091	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2092	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2093	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2094	wm geom $w +$x+$y
2095	wm deiconify $w
2096
2097	set oldFocus [focus]
2098	set oldGrab [grab current $w]
2099	if {$oldGrab != ""} {
2100	set grabStatus [grab status $oldGrab]
2101	}
2102	grab $w
2103	focus $w.b.2
2104	tkwait window $w
2105	if {$expgui(temp) != ""} {
2106	foreach h $hist {
2107	if {$cmd == "histinfo"} {
2108	histinfo $h $variable set $expgui(temp)
2109	incr expgui(changed)
2110	if $expgui(debug) {
2111	puts "histinfo $h $variable set $expgui(temp)"
2112	}
2113	} elseif {$cmd == "hapinfo"} {
2114	hapinfo $h $phase $variable set $expgui(temp)
2115	incr expgui(changed)
2116	if $expgui(debug) {
2117	puts "hapinfo $phase $h $variable set $expgui(temp)"
2118	}
2119	} else {
2120	error "$cmd unimplemented"
2121	}
2122	}
2123	}
2124	catch {focus $oldFocus}
2125	if {$oldGrab != ""} {
2126	if {$grabStatus == "global"} {
2127	grab -global $oldGrab
2128	} else {
2129	grab $oldGrab
2130	}
2131	}
2132	}
2133
2134	proc EditProfile {title histlist phaselist} {
2135	global expgui expmap entrycmd
2136	set w .back
2137	catch {destroy $w}
2138	toplevel $w -bg beige
2139	wm title $w "Global Edit Profile"
2140	set hist [lindex $histlist 0]
2141	set phase [lindex $phaselist 0]
2142	set ptype [string trim [hapinfo $hist $phase proftype]]
2143	set htype [string range $expmap(htype_$hist) 2 2]
2144	set nterms [hapinfo $hist $phase profterms]
2145
2146	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2147	] -side top -expand yes -fill both
2148	grid [label $w.0.a \
2149	-text "Setting profile terms: $title" \
2150	-bg beige] -row 0 -column 0 -columnspan 10
2151	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2152
2153	# number of terms
2154	# set expgui(backtype) [histinfo $hist backtype]
2155	# set expgui(orig_backtype) $expgui(backtype)
2156	# set expgui(prev_backtype) $expgui(backtype)
2157	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2158	# grid $w.0.type -row 1 -column 1
2159
2160	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2161	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2162	set entrylist {}
2163	lappend entrylist "pcut $w.0.d"
2164
2165	set col -1
2166	set row 1
2167	set lbls $expgui(prof-$htype-$ptype)
2168	# for type 4, add extra terms depending on the cell type
2169	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2170	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2171	] -side top -expand yes -fill both
2172	for { set num 1 } { $num <= $nterms } { incr num } {
2173	set term {}
2174	catch {set term [lindex $lbls $num]}
2175	if {$term == ""} {set term $num}
2176	incr col
2177	grid [label $w.1.l${num} -text "$term" -bg beige] \
2178	-row $row -column $col
2179	incr col
2180	grid [entry $w.1.ent${num} \
2181	-width 14] -row $row -column $col
2182	lappend entrylist "pterm$num $w.1.ent${num}"
2183	if {$col > 6} {set col -1; incr row}
2184	}
2185	pack [frame $w.b] -side top
2186	pack [button $w.b.2 -text Set \
2187	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2188	[list $histlist] $w"] -side left
2189	pack [button $w.b.3 -text Quit \
2190	-command "QuitEditProfile $w [list $entrylist]"] -side left
2191	# force the window to stay on top
2192	wm transient $w [winfo toplevel [winfo parent $w]]
2193
2194	bind $w <Return> "destroy $w"
2195	wm withdraw $w
2196	update idletasks
2197	# center the new window in the middle of the parent
2198	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2199	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2200	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2201	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2202	wm geom $w +$x+$y
2203	wm deiconify $w
2204
2205	set oldFocus [focus]
2206	set oldGrab [grab current $w]
2207	if {$oldGrab != ""} {
2208	set grabStatus [grab status $oldGrab]
2209	}
2210	grab $w
2211	focus $w.b.2
2212	tkwait window $w
2213
2214	catch {focus $oldFocus}
2215	if {$oldGrab != ""} {
2216	if {$grabStatus == "global"} {
2217	grab -global $oldGrab
2218	} else {
2219	grab $oldGrab
2220	}
2221	}
2222	}
2223
2224	proc SetEditProfile {entrylist phaselist histlist w} {
2225	global expgui
2226	foreach item $entrylist {
2227	set value [ [lindex $item 1] get ]
2228	if {$value != ""} {
2229	hapinfo $histlist $phaselist [lindex $item 0] set $value
2230	incr expgui(changed)
2231	if $expgui(debug) {
2232	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2233	}
2234	}
2235	}
2236	destroy $w
2237	}
2238
2239	proc QuitEditProfile {w entrylist} {
2240	global expgui
2241	# lets find out if anything changed
2242	set changed 0
2243	foreach item $entrylist {
2244	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2245	}
2246	if $changed {
2247	set decision [tk_dialog .changes "Abandon Changes" \
2248	"You have made changes to the Profile. Ok to abandon changes?" \
2249	warning 0 Abandon Keep]
2250	if !$decision {destroy $w}
2251	} else {
2252	destroy $w
2253	}
2254	}
2255
2256	##############################################################################
2257	## #############################################
2258	## END OF THE PROCEDURES SECTION #############################################
2259	## #############################################
2260	##############################################################################
2261
2262	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2263	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2264	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2265	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2266	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2267	# A frame for menu items at top of display
2268	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2269	# Pack the menu frame.
2270	pack $expgui(fm) -fill x -side top -anchor n
2271
2272	# create a button bar
2273	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2274
2275	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2276	# & LS controls
2277	if $expgui(havetix) {
2278	pack [tixNoteBook .n] -expand yes -fill both
2279	.n add lsPane -label "LS Controls" -underline 0
2280	.n pageconfigure lsPane -raisecmd \
2281	"set expgui(pagenow) lsFrame; SetupExtractHist"
2282	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2283	.n add phasePane -label "Phase" -underline 0
2284	.n pageconfigure phasePane -raisecmd \
2285	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2286	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2287	.n add histPane -label "Histogram" -underline 0
2288	.n pageconfigure histPane -raisecmd \
2289	"set expgui(pagenow) histFrame; DisplayHistogram"
2290	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2291	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2292	.n add fracPane -label "Scaling" -underline 6
2293	.n pageconfigure fracPane -raisecmd \
2294	"set expgui(pagenow) fracFrame; DisplayFrac"
2295	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2296	.n add profPane -label Profile -underline 1
2297	.n pageconfigure profPane -raisecmd \
2298	"set expgui(pagenow) profFrame; DisplayProfile"
2299	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2300	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2301	# Finding the pathname to the subwidget frames.
2302	set expgui(phaseFrame) [.n subwidget phasePane]
2303	set expgui(histFrame) [.n subwidget histPane]
2304	set expgui(fracFrame) [.n subwidget fracPane]
2305	set expgui(profFrame) [.n subwidget profPane]
2306	set expgui(lsFrame) [.n subwidget lsPane]
2307	} else {
2308	pack [frame .frmbar] -side top -anchor w
2309	pack [frame .n] -anchor w -fill both -expand yes
2310	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2311	page {"LS Controls" Phase Histogram Scaling Profile } {
2312	pack [button .frmbar.$item -text $page -bd 2 \
2313	-command "RaisePage $item"] -side left
2314	set expgui($item) [frame .n.$item -relief flat]
2315	}
2316	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2317	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2318	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2319	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2320	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2321	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2322	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2323	}
2324
2325	# this is used in the non-tix notebook to bring up the selected frame
2326	proc RaisePage {nextpage} {
2327	global expgui
2328	set expgui(pagenow) $nextpage
2329	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2330	if {$item == $nextpage} {
2331	.frmbar.$item config -relief flat
2332	} else {
2333	.frmbar.$item config -relief raised
2334	}
2335	}
2336	# forget all other pages
2337	foreach child [pack slaves .n] {
2338	pack forget $child
2339	}
2340	pack .n.$nextpage -anchor w -fill both -expand yes
2341	foreach set $expgui(frameactionlist) {
2342	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2343	}
2344	}
2345	#----------------------------------------------------------------------------
2346	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2347	# Setup major frames here
2348	frame $expgui(phaseFrame).top
2349	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2350	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2351	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2352	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2353	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2354
2355	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2356	grid $frameLatt -sticky news -row 2 -column 0
2357	grid $fbig -sticky news -row 3 -column 0
2358	# give extra space to the atoms box
2359	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2360	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2361	grid $frame3 -sticky news -row 4 -column 0
2362	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2363	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2364	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2365	# this is where the buttons will go
2366	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2367
2368	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2369	-fg blue ] -column 1 -row 0 -sticky e
2370	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2371	-fg blue -width 45] -column 2 -row 0 -sticky e
2372	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2373	# ------------- Lattice Parameter Box ------------------
2374	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2375	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2376	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2377	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2378	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2379	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2380	set l1 [label $frameLatt.l1 -text "a"]
2381	set l2 [label $frameLatt.l2 -text "b"]
2382	set l3 [label $frameLatt.l3 -text "c"]
2383	set l4 [label $frameLatt.l4 -text "alpha"]
2384	set l5 [label $frameLatt.l5 -text "beta"]
2385	set l6 [label $frameLatt.l6 -text "gamma"]
2386	grid $e1 -column 1 -row 0 -padx 5
2387	grid $e2 -column 3 -row 0 -padx 5
2388	grid $e3 -column 5 -row 0 -padx 5
2389	grid $e4 -column 1 -row 1 -padx 5
2390	grid $e5 -column 3 -row 1 -padx 5
2391	grid $e6 -column 5 -row 1 -padx 5
2392	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2393	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2394	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2395	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2396	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2397	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2398
2399	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2400	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2401	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2402	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2403	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2404	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2405
2406	#-------------- Begin Atom Coordinates Box ---------------------------------
2407	grid [listbox $fbig.title -height 1 -relief flat] \
2408	-row 0 -column 0 -sticky ew
2409	set expgui(atomtitle) $fbig.title
2410	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2411	grid [listbox $fbig.lbox -height 10 \
2412	-xscrollcommand " $fbig.bscr set"\
2413	-yscrollcommand " $fbig.rscr set"\
2414	] -row 1 -column 0 -sticky news
2415	set expgui(atomlistbox) $fbig.lbox
2416	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2417	grid [scrollbar $fbig.bscr -orient horizontal \
2418	-command "move2boxes \" $fbig.title $fbig.lbox \" "
2419	] -row 2 -column 0 -sticky ew
2420	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2421	] -row 1 -column 1 -sticky ns
2422	# give extra space to the atoms box
2423	grid columnconfigure $fbig 0 -weight 1
2424	grid rowconfigure $fbig 1 -weight 1
2425
2426	proc move2boxes {boxlist args} {
2427	foreach listbox $boxlist {
2428	eval $listbox xview $args
2429	}
2430	}
2431	# BIND mouse in editbox
2432	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2433	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2434
2435	#-------------- End Atoms Section ---------------------------------
2436
2437	# --------------------------- Begin Edit Box -------------------------------
2438	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2439	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
2440
2441	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2442	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2443
2444	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2445	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2446	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2447	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2448	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2449	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2450
2451	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2452	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2453
2454	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2455	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2456	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2457	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2458	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2459	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2460	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2461	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2462	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2463
2464	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2465	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2466
2467	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2468	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2469
2470	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2471	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2472	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2473	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2474	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2475	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2476	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2477	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2478	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2479	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2480
2481	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2482	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2483	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2484	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2485	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2486	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2487	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2488	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2489
2490
2491	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2492	grid $f3f31 -column 0 -row 7 -columnspan 12
2493	set expgui(anisolabels) {}
2494	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2495	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2496	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2497	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2498	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2499	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2500
2501	set expgui(anisoentry) {}
2502	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2503	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2504	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2505	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2506	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2507	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2508
2509	set col 0
2510	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2511	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2512	incr col
2513	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2514	incr col
2515	}
2516	# --------------------------- End Edit Box --------------------------------
2517
2518	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2519	#-----------------------------------------------------------------------------
2520	#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
2521	grid [frame $expgui(histFrame).hs] \
2522	-column 0 -row 0 -rowspan 10 -sticky nsew
2523	grid columnconfigure $expgui(histFrame) 0 -weight 1
2524	grid rowconfigure $expgui(histFrame) 1 -weight 1
2525	grid rowconfigure $expgui(histFrame) 2 -weight 1
2526	grid rowconfigure $expgui(histFrame) 3 -weight 1
2527	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2528	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2529	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2530	-font $expgui(histfont) \
2531	-xscrollcommand "$expgui(histFrame).hs.x set" \
2532	-yscrollcommand "$expgui(histFrame).hs.y set" \
2533	] -row 1 -column 0 -sticky news
2534	lappend expgui(HistSelectList) $expgui(histFrame).hs
2535	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2536	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2537	] -row 2 -column 0 -sticky ew
2538	grid [scrollbar $expgui(histFrame).hs.y \
2539	-command "$expgui(histFrame).hs.lbox yview"] \
2540	-row 1 -column 1 -sticky ns
2541	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2542	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2543	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2544	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2545	DisplayHistogram
2546	}
2547	bind $expgui(histFrame).hs.lbox <Button-3> {
2548	if $expgui(globalmode) {
2549	$expgui(histFrame).hs.lbox selection set 0 end
2550	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2551	DisplayHistogram
2552	}
2553	}
2554
2555
2556	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2557	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2558	if $expgui(havetix) {
2559	foreach item {backBox diffBox} num {2 3} \
2560	title {Background "Diffractometer Constants"} {
2561	tixLabelFrame $expgui(histFrame).$item \
2562	-borderwidth 4 -width 600 -height 100 -label $title
2563	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2564	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2565	}
2566	} else {
2567	foreach item {backBox diffBox} num {1 2} \
2568	title {Background "Diffractometer Constants"} {
2569	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2570	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2571	set expgui($item) $expgui(histFrame).$item
2572	grid [label $expgui(histFrame).$item.title -text $title] \
2573	-row 0 -column 0 -columnspan 10 -sticky nw
2574	}
2575	}
2576
2577	# BACKGROUND information.
2578	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2579	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2580	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2581	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2582	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2583	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2584	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2585	-command editbackground] \
2586	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2587	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2588	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2589	-row 2 -column 1 -sticky news -padx 4 -pady 3
2590	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2591	-variable entryvar(bref) ] \
2592	-row 2 -column 2 -sticky news -padx 4 -pady 3
2593	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2594	-row 2 -column 3 -sticky w -padx 2 -pady 3
2595	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2596	grid $expgui(backBox).f1.om \
2597	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2598
2599	# DIFFRACTOMETER CONSTANTS SECTION
2600
2601	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2602	###############################################################################
2603	#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
2604
2605	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2606	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2607	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2608	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2609	-font $expgui(histfont) \
2610	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2611	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2612	] -row 1 -column 0 -sticky news
2613	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2614	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2615	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2616	] -row 2 -column 0 -sticky ew
2617	grid [scrollbar $expgui(fracFrame).hs.y \
2618	-command "$expgui(fracFrame).hs.lbox yview"] \
2619	-row 1 -column 1 -sticky ns
2620	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2621	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2622	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2623	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2624	DisplayFrac
2625	}
2626	bind $expgui(fracFrame).hs.lbox <Button-3> {
2627	if $expgui(globalmode) {
2628	$expgui(fracFrame).hs.lbox selection set 0 end
2629	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2630	DisplayFrac
2631	}
2632	}
2633	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2634	# Create a large canvas area containing a frame for each phase in the data set.
2635	# The canvas and vertical scrollbar are inside a frame called f1
2636	if $expgui(havetix) {
2637	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2638	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2639	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2640	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2641	} else {
2642	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2643	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2644	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2645	}
2646	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2647	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2648	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2649	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2650	button $expgui(scaleBox).but1 -text "Set Globally" \
2651	-command "editglobalparm histinfo scale {Scale Factor}"
2652
2653	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2654	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2655	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2656	-row 1 -column 3 -sticky news -padx 4 -pady 3
2657	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2658	-row 1 -column 4 -sticky w -padx 2 -pady 3
2659	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2660	grid $expgui(scaleBox).om \
2661	-row 1 -column 5 -sticky news -padx 4 -pady 3
2662	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2663
2664	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2665	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2666	-sticky news -row 1 -column 0
2667	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2668	-sticky ns -row 1 -column 1
2669
2670	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2671	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2672
2673	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2674	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2675	frame $expgui(FracBox).f -bd 0
2676	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2677
2678	# the rest of the page is created in DisplayFrac
2679	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2680	###############################################################################
2681	# 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
2682	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2683	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2684	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2685	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2686	-font $expgui(histfont) \
2687	-xscrollcommand "$expgui(profFrame).hs.x set" \
2688	-yscrollcommand "$expgui(profFrame).hs.y set" \
2689	] -row 1 -column 0 -sticky news
2690	lappend expgui(HistSelectList) $expgui(profFrame).hs
2691	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2692	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2693	] -row 2 -column 0 -sticky ew
2694	grid [scrollbar $expgui(profFrame).hs.y \
2695	-command "$expgui(profFrame).hs.lbox yview"] \
2696	-row 1 -column 1 -sticky ns
2697	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2698	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2699	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2700	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2701	DisplayProfile
2702	}
2703	bind $expgui(profFrame).hs.lbox <Button-3> {
2704	if $expgui(globalmode) {
2705	$expgui(profFrame).hs.lbox selection set 0 end
2706	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2707	DisplayProfile
2708	}
2709	}
2710
2711	# Create a large canvas area containing a frame for each phase in the data set.
2712	# The canvas and vertical scrollbar are inside a frame called f1
2713	pack [frame $expgui(profFrame).f1] -fill both -expand true
2714	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2715	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2716	-sticky news -row 0 -column 0
2717	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2718	-sticky ns -row 0 -column 1
2719
2720	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2721	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2722
2723	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2724	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2725	frame $expgui(ProfileBox).f -bd 0
2726	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2727
2728	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2729	##############################################################################
2730	# 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
2731	array set printopts {
2732	0 "Print the reciprocal metric tensor changes"
2733	1 "Print the correlation matrix"
2734	2 "Print the Least-Squares matrices and vectors"
2735	4 "Print the linear constraint matrices"
2736	5 "Print the applied shifts and shift factors"
2737	6 "Print the reciprocal metric tensor Var-Covar terms"
2738	7 "Print all parameters for each cycle"
2739	8 "Print summary shift/esd data after last cycle"
2740	9 "Print zero/unit pole figure constraint terms"
2741	}
2742	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2743	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2744	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2745	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2746	-font $expgui(histfont) \
2747	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2748	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2749	] -row 1 -column 0 -sticky news
2750	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2751	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2752	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2753	] -row 2 -column 0 -sticky ew
2754	grid [scrollbar $expgui(lsFrame).hs.y \
2755	-command "$expgui(lsFrame).hs.lbox yview"] \
2756	-row 1 -column 1 -sticky ns
2757	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2758	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2759	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2760	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2761	SetupExtractHist
2762	}
2763	bind $expgui(lsFrame).hs.lbox <Button-3> {
2764	if $expgui(globalmode) {
2765	$expgui(lsFrame).hs.lbox selection set 0 end
2766	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2767	SetupExtractHist
2768	}
2769	}
2770
2771	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2772	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2773	set row 0
2774	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2775	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2776	-textvariable expgui(last_History)] \
2777	-row $row -column 1 -columnspan 5 -sticky w
2778	incr row
2779	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2780	grid [entry $expgui(lsFrame).f1.tit2 \
2781	-textvariable entryvar(title) -width 48] \
2782	-row $row -column 1 -columnspan 5 -sticky w
2783	set entrycmd(title) "expinfo title"
2784
2785	incr row
2786	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2787	-row $row -column 0 -columnspan 2 -pady 3
2788	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2789	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2790	-textvariable entryvar(cycles)] -row 0 -column 1
2791	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2792	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2793	] -row $row -column 2
2794	menu $expgui(lsFrame).f1.lprint.menu
2795	foreach num [lsort [array names printopts]] {
2796	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2797	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2798	-variable entryvar(printopt$num)
2799	}
2800	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2801	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2802	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2803	incr row
2804	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2805	foreach num {1 2 3 4 5 6 7 8 9} {
2806	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2807	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2808	-command "HistExtractSet $num" \
2809	-variable expgui(Fextract$num) -value 0] \
2810	-row 2 -column $num
2811	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2812	-command "HistExtractSet $num" \
2813	-variable expgui(Fextract$num) -value 1] \
2814	-row 3 -column $num
2815	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2816	# -command "HistExtractSet $num" \
2817	# -variable expgui(Fextract$num) -value 2] \
2818	# -row 4 -column $num
2819	}
2820	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2821	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2822	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2823
2824	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2825	-column 0 -columnspan 11 -row 0
2826	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2827	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2828	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2829	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2830	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2831	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2832	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2833	#-------------------------------------------------------------------------
2834	#-------------------------------------------------------------------------
2835	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2836
2837	#---- file menu button
2838	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2839	menu $expgui(fm).file.menu
2840	if $expgui(debug) {
2841	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2842	-command "reset"
2843	}
2844	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2845	-command readnewexp
2846	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2847	-command savearchiveexp
2848	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2849	-command "SaveAsFile"
2850	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2851	-command {rereadexp $expgui(expfile)}
2852	#$expgui(fm).file.menu add command -label "Close" -underline 0
2853
2854	#---- help menu button
2855	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2856	menu $expgui(fm).help.menu
2857	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2858	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2859
2860	#---- options menu button
2861	menubutton $expgui(fm).option -text Options -underline 0 \
2862	-menu $expgui(fm).option.menu
2863	menu $expgui(fm).option.menu
2864
2865	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2866	-variable expgui(archive) -underline 0
2867
2868	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2869	-label "Sort atoms by"
2870
2871	set expgui(asorttype) number
2872	menu $expgui(fm).option.menu.asort
2873	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2874	-label number -value number -variable expgui(asorttype)
2875	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2876	-label type -value type -variable expgui(asorttype)
2877	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2878	-label x -value x -variable expgui(asorttype)
2879	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2880	-label y -value y -variable expgui(asorttype)
2881	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2882	-label z -value z -variable expgui(asorttype)
2883
2884
2885	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2886	-label "Sort histograms by"
2887
2888	set expgui(hsorttype) number
2889	menu $expgui(fm).option.menu.hsort
2890	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2891	-label number -value number -variable expgui(hsorttype)
2892	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2893	-label "Histogram type" -value type -variable expgui(hsorttype)
2894	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2895	-label "Bank #" -value bank -variable expgui(hsorttype)
2896	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2897	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2898
2899	#---- Global mode menu button
2900	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2901	-label "Multiple hist. selection"
2902	menu $expgui(fm).option.menu.editmode
2903	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2904	-variable expgui(globalmode) -underline 0 -value 0\
2905	-command sethistlist
2906	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2907	-variable expgui(globalmode) -underline 0 -value 6 \
2908	-command sethistlist
2909	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2910	-variable expgui(globalmode) -underline 0 -value 1 \
2911	-command sethistlist
2912	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2913	-variable expgui(globalmode) -underline 0 -value 2 \
2914	-command sethistlist
2915	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2916	-variable expgui(globalmode) -underline 0 -value 3 \
2917	-command sethistlist
2918	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2919	-variable expgui(globalmode) -underline 0 -value 4 \
2920	-command sethistlist
2921	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2922	-variable expgui(globalmode) -underline 0 -value 5 \
2923	-command sethistlist
2924	set expgui(globalmode) 0
2925
2926	if {$tcl_platform(platform) != "windows"} {
2927	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2928	-variable env(GSASBACKSPACE)
2929	}
2930	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2931	-command "SaveOptions"
2932
2933	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2934
2935	foreach menu $expgui(menunames) {
2936	set m [string tolower $menu]
2937	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2938	-menu $expgui(fm).$m.menu] -side left
2939	menu $expgui(fm).$m.menu
2940	}
2941	pack $expgui(fm).help -side right -in $expgui(fm)
2942
2943	# add the commands in expgui_menulist
2944	foreach menu [array names expgui_menulist ] {
2945	foreach cmd $expgui_menulist($menu) {
2946	set action {}
2947	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2948	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2949	if {$action != "" && $action != "-"} {
2950	eval $expgui(fm).$menu.menu add command \
2951	-label $cmd -command [list [subst $action]]
2952	}
2953	}
2954	}
2955	# setup command help
2956	foreach cmd [array names expgui_cmdlist] {
2957	set help {}
2958	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2959	if {$help == ""} {
2960	if {$expgui(debug)} {puts "no help for $cmd"}
2961	} else {
2962	# remove
2963	regsub -all \x09 $help " " help
2964	# preserve blank lines
2965	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2966	regsub -all \x0A $help " " help
2967	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2968	regsub -all " +" $help " " help
2969	set expgui_helplist($cmd) [string trim $help]
2970	}
2971	}
2972	# set up button bar
2973	foreach cmd $expgui(buttonlist) {
2974	set action {}
2975	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2976	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2977	if {$action != ""} {
2978	pack [eval button .bar.$cmd -bg beige \
2979	-text $cmd -command [list [subst $action]]] -side left
2980	}
2981	}
2982
2983	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2984	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2985
2986
2987	# handle indirect exits
2988	wm protocol . WM_DELETE_WINDOW catchQuit
2989	bind . <Control-c> catchQuit
2990
2991	set expgui(curPhase) ""
2992	set expgui(pagenow) ""
2993	set expgui(curhist) {}
2994	set expgui(selectedatomlist) {}
2995
2996	loadexp $expgui(expfile)
2997
2998	# select the 1st phase
2999	SelectOnePhase [lindex $expmap(phaselist) 0]
3000	# select the first histogram in the list by default (if there are any)
3001	if {[llength $expmap(histlistboxcontents)] > 0} {
3002	set expgui(curhist) 0
3003	} else {
3004	set expgui(curhist) {}
3005	}
3006
3007	if !$expgui(havetix) {
3008	RaisePage lsFrame
3009	} else {
3010	.n raise lsPane
3011	set expgui(pagenow) lsFrame
3012	}

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