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source: trunk/expgui @ 21

Last change on this file since 21 was 21, checked in by toby, 13 years ago

# on 1999/01/07 04:43:03, toby did:
misc fixes:

set working directory when expgui(expfile) is changed because GSAS must be
run in the directory of the EP file

fixup relative paths if used for the script name

fix bug in expgui(gsasexe) file join

in DisplayProfile? & make sure that entrycmd(trace) is as 0 when return is done

add Override backspace to options

Property rcs:author set to toby
Property rcs:date set to 1999/01/07 04:43:03
Property rcs:lines set to +23 -6
Property rcs:rev set to 1.6
Property rcs:state set to Exp
Property svn:keywords set to Author Date Revision Id

File size: 106.5 KB

Line
1	#!/usr/local/bin/wish
2	set expgui(Revision) {$Revision: 21 $ $Date: 2009-12-04 22:59:02 +0000 (Fri, 04 Dec 2009) $}
3
4	# to do:
5	#
6	# global background editing & profile work differently: should both
7	# start out blank with a "load from option"?
8	#
9	# idea:
10	# a scroll list for all histogram refinement flags ; click on takes you to the
11	# appropriate menu.
12	#
13	# to allow "global" access on phase page
14	# change buttons from radio to multiple
15	# -- or display all 9 cell flag/damps and all atoms
16	# make editMultipleRecords work with multiple phases, also cell flag/damp
17	# blank cell entries
18	# add phase to atom number in listing
19	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
20
21	if {$tcl_version < 8.0} {
22	tk_dialog .expFileErrorMsg "Version Error" \
23	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
24	exit
25	}
26
27	if {$argv != ""} {
28	set expgui(expfile) [lindex $argv 0]
29	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
30	append expgui(expfile) ".EXP"
31	}
32	} else {
33	# windows needs this update or focus gets screwed up after tk_getOpenFile
34	update
35	set expgui(expfile) [tk_getOpenFile -defaultextension .EXP \
36	-filetypes {{"GSAS Experiment" ".EXP"}} -parent .]
37	}
38	if {$expgui(expfile) == ""} exit
39	catch {cd [string trim [file dirname $expgui(expfile)]]}
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
61	#=============================================================================
62	# Store names of profile terms.
63	array set expgui {
64	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
65	sig-2 rsca s1ec s2ec }
66	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
67	gam-2 switch ptec stec difc difa zero }
68	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
69	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
70	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
71	rstr rsta rsca eta}
72	prof-C-1 {CW-type U V W asym F1 F2 }
73	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
74	L11 L22 L33 L12 L13 L23 }
75	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
76	L11 L22 L33 L12 L13 L23 }
77	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
78	}
79	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
80	#----------------------------------------------------------------
81	# where are we?
82	set expgui(script) [info script]
83	# translate links -- go six levels deep
84	foreach i {1 2 3 4 5 6} {
85	if {[file type $expgui(script)] == "link"} {
86	set link [file readlink $expgui(script)]
87	if { [file pathtype $link] == "absolute" } {
88	h set expgui(script) $link
89	} {
90	set expgui(script) [file dirname $expgui(script)]/$link
91	}
92	} else {
93	break
94	}
95	}
96	# fixup relative paths
97	if {[file pathtype $expgui(script)] == "relative"} {
98	set expgui(script) [file join [pwd] $expgui(script)]
99	}
100	set expgui(scriptdir) [file dirname $expgui(script) ]
101	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
102	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
103	#----------------------------------------------------------------
104	# fetch EXP file processing routines
105	source [file join $expgui(scriptdir) readexp.tcl]
106	# commands for running GSAS programs
107	source [file join $expgui(scriptdir) gsascmds.tcl]
108	# contents of GSAS menus
109	source [file join $expgui(scriptdir) gsasmenu.tcl]
110	#---------------------------------------------------------------------------
111	# override options with locally defined values
112	if [file exists [file join $expgui(scriptdir) localconfig]] {
113	source [file join $expgui(scriptdir) localconfig]
114	}
115	if [file exists [file join ~ .gsas_config]] {
116	source [file join ~ .gsas_config]
117	}
118	#---------------------------------------------------------------------------
119	if ![file exists $expgui(expfile)] {
120	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
121	"File $expgui(expfile) does not exist" error 0 "Exit" "Create"]
122	if $ans {
123	# create an "empty" exp file
124	createexp $expgui(expfile) \
125	[getstring "title for experiment $expgui(expfile)" 60 0]
126	} else {
127	exit
128	}
129	}
130
131	#
132	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
133	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
134	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
135	# load exp file and set up dialogs
136	proc loadexp {expfile} {
137	global expgui expmap entryvar entrycmd
138	global exparray
139	catch {
140	unset exparray
141	}
142	expload $expfile
143	set expgui(changed) 0
144	mapexp
145	set expgui(expModifiedLast) [file mtime $expfile]
146	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
147	# set the window/icon title
148	wm title . $expfile
149	set expgui(titleunchanged) 1
150	wm iconname . [file tail $expfile]
151
152	set expgui(curPhase) ""
153	# set the number of phases on the phase page
154	setphases
155
156	set expgui(pagenow) ""
157
158	# update the histogram list
159	sethistlist
160
161	if !$expgui(havetix) {
162	RaisePage lsFrame
163	} else {
164	.n raise lsPane
165	set expgui(pagenow) lsFrame
166	}
167	# select the 1st phase
168	SelectOnePhase [lindex $expmap(phaselist) 0]
169	# disable the "global options" that don't make sense
170	foreach num {1 2 3 4 5} {
171	set flag($num) 0
172	}
173	foreach h $expmap(powderlist) {
174	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
175	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
176	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
177	[histinfo $h lam2] != 0.0} {set flag(3) 1}
178	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
179	[histinfo $h lam2] == 0.0} {set flag(4) 1}
180	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
181	}
182	foreach num {1 2 3 4 5} \
183	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
184	"Energy Disp Xray"} {
185	if $flag($num) {
186	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
187	} else {
188	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
189	}
190	}
191	# disable traces on entryvar until we are ready
192	set entrycmd(trace) 0
193
194	# least squares page
195	set entryvar(cycles) [expinfo cycles]
196	set entrycmd(cycles) "expinfo cycles"
197	set expgui(globalmode) 0
198	set expgui(printopt) "Print Options ([expinfo print])"
199	set entryvar(title) [expinfo title]
200	global printopts
201	foreach num [array names printopts] {
202	set entrycmd(printopt$num) "printsetting $num"
203	set entryvar(printopt$num) [printsetting $num]
204	}
205	# enable traces on entryvar
206	set entrycmd(trace) 1
207	# set fo extaction on LS page
208	SetupExtractHist
209	# start checking for external changes
210	afterawhile
211	}
212
213	# called to reread the .EXP file -- use after another program
214	# has changed the experiment file
215	proc rereadexp {expfile} {
216	global expgui
217	if $expgui(changed) {
218	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
219	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
220	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
221	switch $decision {
222	0 { savearchiveexp }
223	1 { }
224	2 { return }
225	}
226	}
227	loadexp $expgui(expfile)
228	}
229
230	proc CreateNewExp {} {
231	global expgui
232	set newexpfile [newexp]
233	if {$newexpfile == ""} return
234	# create an "empty" exp file
235	createexp $newexpfile \
236	[getstring "title for experiment $newexpfile" 60 0]
237	set expgui(expfile) $newexpfile
238	catch {cd [string trim [file dirname $expgui(expfile)]]}
239	loadexp $expgui(expfile)
240	}
241
242	proc SaveAsFile {} {
243	global expgui
244	set newexpfile [tk_getSaveFile -defaultextension .EXP \
245	-filetypes {{"GSAS Experiment" ".EXP"}} -parent . \
246	-initialdir [file dirname $expgui(expfile)] \
247	-initialfile [file tail $expgui(expfile)] ]
248	if {$newexpfile == ""} return
249	set expgui(expfile) $newexpfile
250	catch {cd [string trim [file dirname $expgui(expfile)]]}
251	expwrite $expgui(expfile)
252	set expgui(changed) 0
253	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
254	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
255	# set the window/icon title
256	wm title . $expgui(expfile)
257	set expgui(titleunchanged) 1
258	wm iconname . [file tail $expgui(expfile)]
259	}
260
261	# called to read a different .EXP file
262	proc readnewexp {} {
263	global expgui
264	if $expgui(changed) {
265	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
266	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
267	{} 0 "Save and read" "Read without Save" "Cancel read command"]
268	switch $decision {
269	0 { savearchiveexp }
270	1 { }
271	2 { return }
272	}
273	}
274	set newexpfile [tk_getOpenFile -defaultextension .EXP \
275	-filetypes {{"GSAS Experiment" ".EXP"}} -parent . \
276	-initialdir [file dirname $expgui(expfile)] ]
277	if {$newexpfile == ""} return
278	set expgui(expfile) $newexpfile
279	catch {cd [string trim [file dirname $expgui(expfile)]]}
280	loadexp $expgui(expfile)
281	}
282
283	#------------- set up data read/write layer ----------------------
284	# trace routine on entryvar
285	proc entvartrace {array elem action} {
286	global expgui entrycmd entryvar
287	if !$entrycmd(trace) return
288
289	catch {
290	if {$entrycmd($elem) == ""} return
291	incr expgui(changed)
292	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
293	if {$entrycmd($elem) == ""} return
294	if [catch {
295	eval $entrycmd($elem) set [list $entryvar($elem)]
296	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
297	after idle {DisplayAllAtoms noreset}
298	}
299	} errmsg] {puts "entvartrace error: $errmsg"}
300	}
301	}
302
303	# disable traces on entryvar until we are ready
304	set entrycmd(trace) 0
305	trace variable entryvar w entvartrace
306
307	#
308	#
309	#
310	##############################################################################
311	##### #####################################################
312	##### PROCEDURES SECTION #####################################################
313	##### #####################################################
314	##############################################################################
315	# reset routine is used for debugging
316	proc reset {} {
317	global expgui script argv
318	set script $expgui(script)
319	set argv $expgui(expfile)
320	# remove traces
321	global entryvar
322	foreach cmd [trace vinfo entryvar] {
323	eval trace vdelete entryvar $cmd
324	}
325	global expgui
326	foreach cmd [trace vinfo expgui(backterms)] {
327	eval trace vdelete entryvar $cmd
328	}
329	foreach cmd [trace vinfo expgui(backtype)] {
330	eval trace vdelete entryvar $cmd
331	}
332	foreach a {
333	exparray expmap expgui entryvar entrycmd
334	expgui_menulist expgui_cmdlist expgui_helplist
335	} {
336	global $a
337	catch {unset $a}
338	}
339	foreach w [winfo children .] {
340	destroy $w
341	}
342
343	uplevel #0 {source $script}
344	}
345
346	proc About { } {
347	global expgui expmap
348	tk_dialog .about {About...} \
349	"EXPGUI\n\
350	Jonathan Wasserman and Brian Toby\n\
351	NIST Center for Neutron Research\n\n\
352	1998, Not subject to copyright\n\n\
353	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
354	Generalized Structure Analysis System (GSAS)\n\
355	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
356	" \
357	info 0 OK
358	}
359
360	# wait until idle
361	proc afterawhile {} {
362	# cancel any other instances of this loop
363	after cancel afterawhile
364	after cancel whenidle
365	after cancel whenidle
366	after idle whenidle
367	}
368
369	proc whenidle {} {
370	global expgui
371	if $expgui(titleunchanged) {
372	if {$expgui(changed) != 0} {
373	wm title . "$expgui(expfile) (modified)"
374	set expgui(titleunchanged) 0
375	}
376	}
377	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
378	if {$expgui(changed) == 0} {
379	set ans [tk_dialog .expFileErrorMsg "Reload?" \
380	"File $expgui(expfile) has been modified by another program. \
381	Do you want to load the newer version or loose the modifications \
382	by editing the current version?" \
383	warning 0 "Load new" "Continue editing"]
384	} else {
385	set ans [tk_dialog .expFileErrorMsg "Reload?" \
386	"File $expgui(expfile) has been modified by another program \
387	and you have made $expgui(changed) changes to this version. \
388	Do you want to load the newer version or loose the modifications \
389	by continuing to edit the current version?" \
390	warning 0 "Load new" "Continue editing" "Save edited version"]
391	}
392	if {$ans == 0} {
393	loadexp $expgui(expfile)
394	} elseif {$ans == 1} {
395	# reset the time to the next version
396	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
397	} elseif {$ans == 2} {
398	savearchiveexp
399	}
400	}
401	after 2000 afterawhile
402	}
403	# -------- called to confirm before exiting
404	proc catchQuit {} {
405	if {[confirmBeforeSave] == "Continue"} {
406	destroy .
407	}
408	}
409	# save the .EXP file before exiting?
410	proc confirmBeforeSave {} {
411	global expgui
412	if !$expgui(changed) {
413	return "Continue"
414	}
415	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
416	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
417	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
418	switch $decision {
419	0 { savearchiveexp; return "Continue" }
420	1 { return "Continue" }
421	2 { return "Cancel" }
422	}
423	}
424
425	proc archiveexp {} {
426	global expgui tcl_platform
427	catch {
428	set expnam [file rootname $expgui(expfile)]
429	if {$tcl_platform(platform) == "windows"} {
430	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
431	# archive w/o pkzip
432	set files [glob -nocomplain ${expnam}!*.exp]
433	if {$files == ""} {
434	set num -1
435	} else {
436	set file [lindex [lsort -decreasing $files] 0]
437	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
438	}
439	set file $expnam![format "%3.3d" [incr num]].EXP
440	file copy $expnam.EXP $file
441	set fp [open $expnam.lst a]
442	puts $fp "\n--------------------------------------------------------------"
443	puts $fp "Archiving $expnam.EXP as $file"
444	puts $fp "--------------------------------------------------------------\n"
445	close $fp
446	} else {
447	# archive with PKZIP
448	# need to limit expnam to 8 characters
449	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
450	# PKZIP can't handle long dir names either
451	cd [set dir [file dirname $expnam]]
452	set num -1
453	# get the versions from the listing
454	if [file exists $sexp.zip] {
455	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
456	while {[gets $fp line] >= 0} {
457	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
458	catch {if {$n > $num} {set num $n}}
459	}
460	close $fp
461	}
462	incr num
463	set file $sexp.[format "%3.3d" $num]
464	file copy -force $expnam.EXP $file
465	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
466	set fp [open $expnam.lst a]
467	puts $fp "\n--------------------------------------------------------------"
468	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
469	puts $fp "--------------------------------------------------------------\n"
470	close $fp
471	}
472	} else {
473	set files [glob -nocomplain $expnam.EXP.*]
474	if {$files == ""} {
475	set file $expnam.EXP.000
476	} else {
477	set file [lindex [lsort -decreasing $files] 0]
478	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
479	incr number
480	set file $expnam.EXP.[format "%3.3d" $number]
481	}
482	exec cp $expgui(expfile) $file
483	if [catch {exec gzip $file}] {
484	exec echo "\n----------------------------------------------" >> $expnam.LST
485	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
486	exec echo "----------------------------------------------\n" >> $expnam.LST
487	} else {
488	exec echo "\n----------------------------------------------" >> $expnam.LST
489	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
490	exec echo "----------------------------------------------\n" >> $expnam.LST
491	}
492	}
493	} errmsg
494	if {$errmsg != ""} {
495	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
496	}
497	}
498
499	# save and optionally archive the expfile
500	proc savearchiveexp {} {
501	global expgui expmap
502	if !$expgui(changed) return
503	if $expgui(archive) archiveexp
504	# add a history record
505	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
506	# now save the file
507	expwrite $expgui(expfile)
508	set expgui(changed) 0
509	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
510	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
511	wm title . $expgui(expfile)
512	set expgui(titleunchanged) 1
513	}
514
515	# set the number of phases on the phase page
516	proc setphases {} {
517	global expgui expmap
518	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
519	foreach num $expmap(phaselist) {
520	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
521	-command "SelectOnePhase $num"] -side left
522	}
523	}
524
525	# Procedure to respond to changes the phase.
526	# This loads the "phases" widgets with data corresponding to the selected phase.
527	proc SelectOnePhase {num} {
528	global entryvar entrycmd expmap expgui
529	foreach n $expmap(phaselist) {
530	if {$n == $num} {
531	$expgui(phaseFrame).top.ps.$num config -relief sunken
532	} else {
533	$expgui(phaseFrame).top.ps.$n config -relief raised
534	}
535	}
536	set crsPhase $num
537	# no phase is selected
538	if {$crsPhase == ""} {
539	# disable traces on entryvar
540	set entrycmd(trace) 0
541	set entrycmd(phasename) ""
542	set entryvar(phasename) ""
543	foreach ent {a b c alpha beta gamma cellref celldamp} {
544	set entrycmd($ent) ""
545	set entryvar($ent) ""
546	}
547	# enable traces on entryvar
548	set entrycmd(trace) 1
549	return
550	}
551
552	set expgui(curPhase) $crsPhase
553	# we have a phase
554
555	# disable traces on entryvar for right now
556	set entrycmd(trace) 0
557
558	##########################################################
559	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
560	##########################################################
561	# phase title
562	set entrycmd(phasename) "phaseinfo $crsPhase name"
563	set entryvar(phasename) [phaseinfo $crsPhase name]
564	# cell parameters & flags
565	foreach ent {a b c alpha beta gamma cellref celldamp} {
566	set entrycmd($ent) "phaseinfo $crsPhase $ent"
567	set entryvar($ent) [phaseinfo $crsPhase $ent]
568	}
569
570	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
571	# initialize to diasbled
572	DisplayAtom 0 0
573	DisplayU 0 0
574	DisplayRefFlags 0 0
575	$expgui(EditingAtoms) config -text ""
576
577	DisplayAllAtoms
578
579	# enable traces on entryvar now
580	set entrycmd(trace) 1
581	}
582
583	set expgui(noreenterDisplayAllAtoms) 0
584	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
585	proc DisplayAllAtoms {"mode reset"} {
586	global entryvar entrycmd expmap expgui
587	# if it does not show, dont bother
588	if {$expgui(pagenow) != "phaseFrame"} return
589	if {$expgui(curPhase) == ""} return
590	if $expgui(noreenterDisplayAllAtoms) return
591
592	set expgui(noreenterDisplayAllAtoms) 1
593	if {$mode != "reset"} {
594	set selectlist [$expgui(atomlistbox) curselection]
595	set pos [lindex [$expgui(atomlistbox) yview] 0]
596	}
597	$expgui(atomlistbox) delete 0 end
598	# loop over atoms
599	set maxline I
600	set phase $expgui(curPhase)
601	set atomlist {}
602	if {$expgui(asorttype) == "type"} {
603	# sort on atom type
604	foreach atom $expmap(atomlist_$phase) {
605	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
606	}
607	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
608	} elseif {$expgui(asorttype) == "number"} {
609	# sort on atom number
610	foreach atom $expmap(atomlist_$phase) {
611	lappend atomlist "$atom $atom $phase"
612	}
613	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
614	} elseif {$expgui(asorttype) == "x"} {
615	# sort on x
616	foreach atom $expmap(atomlist_$phase) {
617	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
618	}
619	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
620	} elseif {$expgui(asorttype) == "y"} {
621	# sort on y
622	foreach atom $expmap(atomlist_$phase) {
623	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
624	}
625	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
626	} elseif {$expgui(asorttype) == "z"} {
627	# sort on z
628	foreach atom $expmap(atomlist_$phase) {
629	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
630	}
631	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
632	} else {
633	error "Bad expgui(asorttype = $expgui(asorttype)"
634	}
635
636	foreach tuple $expmap(atomlistboxcontents) {
637	set atom [lindex $tuple 0]
638	set phase [lindex $tuple 2]
639	set refflag {}
640	foreach type {x u f} {
641	if {[atominfo $phase $atom ${type}ref]} {
642	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
643	} else {
644	append refflag " [atominfo $phase $atom ${type}damp] "
645	}
646	}
647	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
648	$atom \
649	[atominfo $phase $atom label] \
650	[atominfo $phase $atom type] \
651	$refflag \
652	[atominfo $phase $atom x] \
653	[atominfo $phase $atom y] \
654	[atominfo $phase $atom z] \
655	[atominfo $phase $atom frac]
656	]
657	# add temperature factors (iso/anoiso)
658	if {[atominfo $phase $atom temptype] == "A"} {
659	set maxline A
660	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
661	[atominfo $phase $atom U11] \
662	[atominfo $phase $atom U22] \
663	[atominfo $phase $atom U33] \
664	[atominfo $phase $atom U12] \
665	[atominfo $phase $atom U23] \
666	[atominfo $phase $atom U13]
667	]
668	} else {
669	append line [format " %9.5f" \
670	[atominfo $phase $atom Uiso]
671	]
672	}
673	$expgui(atomlistbox) insert end $line
674	}
675	$expgui(atomtitle) delete 0 end
676	if {$maxline == "A"} {
677	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
678	" name " "type " "ref/damp " "fractional coordinates " \
679	" Occupancy" \
680	"Uiso/Uij "]
681	} else {
682	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
683	" name " "type " "ref/damp " "fractional coordinates " \
684	" Occupancy" \
685	"Uiso"]
686	}
687	if {$mode != "reset"} {
688	foreach i $selectlist {
689	$expgui(atomlistbox) selection set $i
690	$expgui(atomlistbox) yview moveto $pos
691	}
692	}
693	set expgui(noreenterDisplayAllAtoms) 0
694	}
695
696	# Procedure to select all atoms in response to a right-click
697	proc SelectAllAtoms {} {
698	global expgui
699	$expgui(atomlistbox) selection set 0 end
700	# just in case this was called at the wrong time:
701	editRecord
702	}
703
704	# Procedure to respond to left mouse release in the atoms Pane
705	proc editRecord { args } {
706	global entrycmd expgui
707	set selectIndex [$expgui(atomlistbox) curselection]
708	# disable traces on entryvar for right now
709	set entrycmd(trace) 0
710
711	if {[llength $selectIndex] == 0} {
712	puts "How did this happen: [$expgui(atomlistbox) curselection]"
713	} elseif {[llength $selectIndex] == 1} {
714	editOneRecord $selectIndex
715	} else {
716	editMultipleRecords $selectIndex
717	}
718	# reenable traces on entryvar
719	set entrycmd(trace) 1
720	# repaint the atoms box in case anything was changed
721	# DisplayAllAtoms noreset
722	}
723
724	proc editOneRecord { AtomIndex } {
725	global expmap expgui
726	# get atom number & phase
727	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
728	set atomnum [lindex $tuple 0]
729	set p [lindex $tuple 2]
730	DisplayU $atomnum $p
731	DisplayAtom $atomnum $p
732	DisplayRefFlags $atomnum $p
733	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
734	}
735
736	# this will not work for a multi-phase list of atoms (yet)
737	proc editMultipleRecords { AtomIndexList } {
738	global expmap expgui
739	set numberList {}
740	# current phase
741	set p $expgui(curPhase)
742	foreach AtomIndex $AtomIndexList {
743	# get atom number & phase
744	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
745	lappend numberList [lindex $tuple 0]
746	# set p [lindex $tuple 2]
747	}
748	# this needs to track by phase
749	$expgui(EditingAtoms) config -text \
750	"Set refinement options: atoms [CompressList $numberList]"
751	DisplayU 0 0
752	DisplayAtom 0 0
753	# this needs to track by phase
754	DisplayRefFlags $numberList $p
755	}
756
757	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
758	# becomes "1-4,6,7,13-15,19"
759	proc CompressList {numberList} {
760	# format the number list to save space
761	set lastnum -99
762	set flist {}
763	set count 0
764	foreach num [lsort -integer $numberList] {
765	set next [expr $lastnum+1]
766	if {$num != $next} {
767	if {$count == 0 && $flist != ""} {
768	append flist ",$num"
769	} elseif {$count == 1 && $flist != ""} {
770	append flist ",$lastnum,$num"
771	} elseif {$flist != ""} {
772	append flist "-$lastnum,$num"
773	} else {
774	append flist "$num"
775	}
776	set lastnum $num
777	set count 0
778	} else {
779	incr count
780	incr lastnum
781	}
782	}
783	if {$count == 1 && $flist != ""} {
784	append flist ",$lastnum"
785	} elseif {$flist != "" && $count > 1} {
786	append flist "-$lastnum"
787	}
788	return $flist
789	}
790
791	# Procedure to display Isotropic or Anisotropic temperature factors
792	# Changes the display to one entry widget for Isotropic motion OR
793	# 6 entry widgets for Anisotropic motion in Frame3.
794	# or disables the widet entirly if atom = 0
795	proc DisplayU { atomnum p} {
796	global expgui entryvar entrycmd
797	if {$atomnum == 0} {
798	set iOrA disable
799	} else {
800	set iOrA [atominfo $p $atomnum temptype]
801	}
802
803	set firstbox [lindex $expgui(anisolabels) 0]
804	if { $iOrA == "A" } {
805	$firstbox config -text "U11 "
806	foreach item $expgui(anisolabels) {
807	$item config -fg black
808	}
809	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
810	set entrycmd($var) "atominfo $p $atomnum $var"
811	set entryvar($var) [eval $entrycmd($var)]
812	$item config -fg black -state normal -bg white
813	}
814	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
815	foreach item $expgui(anisolabels) {
816	# $item config -fg grey
817	$item config -fg beige
818	}
819	foreach item [lrange $expgui(anisoentry) 1 end] \
820	var {U22 U33 U12 U13 U23} {
821	set entrycmd($var) ""
822	set entryvar($var) ""
823	$item config -fg beige -bg beige -state disabled
824	}
825	if { $iOrA == "disable"} {
826	set entrycmd($var) ""
827	set entryvar($var) ""
828	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
829	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
830	} else {
831	set entrycmd(U11) "atominfo $p $atomnum Uiso"
832	set entryvar(U11) [eval $entrycmd(U11)]
833	$firstbox config -text Uiso -fg black
834	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
835	}
836	}
837	}
838
839	# need to think about multiple phases
840
841	# Procedure to display refinement flags
842	proc DisplayRefFlags { atomnum p} {
843	global expgui entryvar entrycmd
844	if {$atomnum == 0} {
845	foreach label $expgui(atomreflbl) {
846	$label config -fg beige
847	}
848	foreach entry $expgui(atomref) {
849	$entry config -state disabled -fg beige -bg beige
850	}
851	return
852	}
853	foreach label $expgui(atomreflbl) {
854	$label config -fg black
855	}
856	foreach entry $expgui(atomref) {
857	$entry config -state normal -fg black -bg beige
858	}
859	foreach var {xref uref fref xdamp udamp fdamp} {
860	set entrycmd($var) "atominfo $p [list $atomnum] $var"
861	set entryvar($var) [eval $entrycmd($var)]
862	}
863	}
864
865	# Procedure to display an atom in the atom edit boxes
866	proc DisplayAtom { atomnum p} {
867	global expgui entryvar entrycmd
868	if {$atomnum == 0} {
869	foreach label $expgui(atomlabels) {
870	$label config -fg beige
871	}
872	foreach entry $expgui(atomentry) {
873	$entry config -state disabled -fg beige -bg beige
874	}
875	return
876	}
877	foreach label $expgui(atomlabels) {
878	$label config -fg black
879	}
880	foreach entry $expgui(atomentry) {
881	$entry config -state normal -fg black -bg white
882	}
883	foreach var {x y z label frac } {
884	set entrycmd($var) "atominfo $p $atomnum $var"
885	set entryvar($var) [eval $entrycmd($var)]
886	}
887	}
888
889	# update the histogram list
890	# to do: show histogram ref flags?
891	proc sethistlist {} {
892	global expgui expmap
893	set expgui(curhist) {}
894	foreach lbox $expgui(HistSelectList) {
895	$lbox.title delete 0 end
896	$lbox.lbox delete 0 end
897	if {$expgui(globalmode) != 0} {
898	$lbox.lbox config -selectmode extended
899	} else {
900	$lbox.lbox config -selectmode browse
901	}
902	}
903	# disable the unallowed pages in all mode
904	if {$expgui(globalmode) == 6} {
905	foreach pair $expgui(GlobalModeAllDisable) {
906	if {$expgui(pagenow) == [lindex $pair 0]} {
907	if !$expgui(havetix) {
908	RaisePage lsFrame
909	} else {
910	.n raise lsPane
911	set expgui(pagenow) lsFrame
912	}
913	}
914	eval [lindex $pair 1] -state disabled
915	}
916	} else {
917	foreach pair $expgui(GlobalModeAllDisable) {
918	eval [lindex $pair 1] -state normal
919	}
920	}
921	set histlist {}
922	if {$expgui(hsorttype) == "type"} {
923	# sort on histogram type
924	foreach h [lsort -integer -increasing $expmap(powderlist)] {
925	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
926	}
927	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
928	} elseif {$expgui(hsorttype) == "number"} {
929	# sort on histogram number
930	foreach h [lsort -integer -increasing $expmap(powderlist)] {
931	lappend histlist "$h $h"
932	}
933	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
934	} elseif {$expgui(hsorttype) == "bank"} {
935	# sort on original bank number
936	foreach h [lsort -integer -increasing $expmap(powderlist)] {
937	lappend histlist "$h [histinfo $h bank]"
938	}
939	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
940	} elseif {$expgui(hsorttype) == "angle"} {
941	# sort on wavelength (CW) or angle (E disp.)
942	foreach h [lsort -integer -increasing $expmap(powderlist)] {
943	if {[string range $expmap(htype_$h) 2 2] == "T"} {
944	set det [format %8.2f [histinfo $h tofangle]]
945	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
946	set det [format %8.5f [histinfo $h lam1]]
947	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
948	set det [format %8.2f [histinfo $h lam1]]
949	} else {
950	set det {}
951	}
952	lappend histlist "$h $det"
953	}
954	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
955	}
956	# select the first histogram in the list by default (if there are any)
957	if {[llength $histlist] > 0} {set expgui(curhist) 0}
958
959	# title field needs to match longest title
960	foreach lbox $expgui(HistSelectList) {
961	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
962	"h#" \
963	type \
964	bank \
965	"ang/wave" \
966	" title" \
967	]
968	}
969	foreach tuple $expmap(histlistboxcontents) {
970	set h [lindex $tuple 0]
971
972	if {$expgui(globalmode) == 1} {
973	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
974	} elseif {$expgui(globalmode) == 2} {
975	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
976	} elseif {$expgui(globalmode) == 3} {
977	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
978	[histinfo $h lam2] == 0.0} continue
979	} elseif {$expgui(globalmode) == 4} {
980	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
981	[histinfo $h lam2] != 0.0} continue
982	} elseif {$expgui(globalmode) == 5} {
983	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
984	}
985
986	if {[string range $expmap(htype_$h) 2 2] == "T"} {
987	set det [format %8.2f [histinfo $h tofangle]]
988	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
989	set det [format %8.5f [histinfo $h lam1]]
990	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
991	set det [format %8.2f [histinfo $h lam1]]
992	} else {
993	set det {}
994	}
995	foreach lbox $expgui(HistSelectList) {
996	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
997	$h \
998	[string range $expmap(htype_$h) 1 2] \
999	[histinfo $h bank] \
1000	$det \
1001	[string range [histinfo $h title] 0 66] \
1002	]
1003	}
1004	}
1005	foreach set $expgui(frameactionlist) {
1006	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1007	}
1008	}
1009
1010	#-----------------------------------------------------------------------
1011	# ----------- draw Histogram page
1012	#-----------------------------------------------------------------------
1013	proc DisplayHistogram {} {
1014	global expgui entrycmd entryvar expmap
1015
1016	# display the selected histograms
1017	$expgui(histFrame).hs.lbox selection clear 0 end
1018	foreach h $expgui(curhist) {
1019	$expgui(histFrame).hs.lbox selection set $h
1020	}
1021
1022	# disable traces on entryvar for right now
1023	set entrycmd(trace) 0
1024
1025	# get histogram list
1026	set histlist {}
1027	foreach item $expgui(curhist) {
1028	lappend histlist [lindex $expmap(powderlist) $item]
1029	}
1030	# must have at least one histogram selected here
1031	if {[llength $histlist] == 0} {
1032	set expgui(backtermlbl) ""
1033	set expgui(backtypelbl) ""
1034	foreach var {bref bdamp} {
1035	set entrycmd($var) ""
1036	set entryvar($var) ""
1037	}
1038	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1039	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1040	set expgui(bkglbl) ""
1041	eval destroy [grid slaves $expgui(diffBox)]
1042	set entrycmd(trace) 1
1043	return
1044	}
1045
1046	if {$expgui(globalmode) != 0} {
1047	set expgui(backtermlbl) ""
1048	set expgui(backtypelbl) ""
1049	foreach var {bref bdamp} {
1050	set entrycmd($var) "histinfo [list $histlist] $var"
1051	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1052	}
1053	} else {
1054	set hist $histlist
1055	set terms [histinfo $hist backterms]
1056	set expgui(backtermlbl) "($terms terms)"
1057	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1058	foreach var {bref bdamp} {
1059	set entrycmd($var) "histinfo $hist $var"
1060	set entryvar($var) [eval $entrycmd($var)]
1061	}
1062	}
1063	# Top box
1064	if {$expgui(globalmode) != 0} {
1065	$expgui(histFrame).top.txt config \
1066	-text "Selected Histograms: [CompressList $histlist]"
1067	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1068	set expgui(bkglbl) "Globally Edit Background"
1069	} else {
1070	grid forget $expgui(histFrame).top
1071	set expgui(bkglbl) "Edit Background"
1072	}
1073
1074	# diffractometer constants
1075	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1076	wref pref dcref daref ratref ttref zref } {
1077	set entrycmd($var) "histinfo [list $histlist] $var"
1078	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1079	}
1080
1081	eval destroy [grid slaves $expgui(diffBox)]
1082	if {$expgui(globalmode) == 0} {
1083	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1084	#------
1085	# TOF \|
1086	#------
1087	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1088	-column 1 -row 1
1089	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1090	-column 2 -row 1
1091	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1092	-column 3 -row 1 -sticky w
1093	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1094	-width 15 ] -column 4 -row 1
1095	#
1096	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1097	-column 1 -row 2
1098	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1099	-column 2 -row 2
1100	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1101	-column 3 -row 2
1102	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1103	-width 15 ] -column 4 -row 2
1104	#
1105	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1106	-column 3 -row 3
1107	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1108	-width 15 ] -column 4 -row 3
1109	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1110	-column 1 -row 3 -sticky w
1111	grid [ checkbutton $expgui(diffBox).rfDCzref \
1112	-variable entryvar(zref) ] -column 2 -row 3
1113	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1114	#---------------
1115	# CW - neutron \|
1116	#---------------
1117	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1118	-column 1 -row 1
1119	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1120	-column 2 -row 1
1121	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1122	-column 3 -row 1 -sticky w
1123	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1124	-width 15 ] -column 4 -row 1
1125	#
1126	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1127	-column 1 -row 3 -sticky w
1128	grid [ checkbutton $expgui(diffBox).rfDCzref \
1129	-variable entryvar(zref) ] -column 2 -row 3
1130	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1131	-column 3 -row 3
1132	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1133	-width 15 ] -column 4 -row 3
1134	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1135	[histinfo $hist lam2] == 0.0} {
1136	#--------------------------
1137	# CW - x-ray 1 wavelength \|
1138	#--------------------------
1139	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1140	-column 1 -row 1
1141	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1142	-column 2 -row 1
1143	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1144	-column 3 -row 1 -sticky w
1145	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1146	-width 15 ] -column 4 -row 1
1147	#
1148	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1149	-column 1 -row 3 -sticky w
1150	grid [ checkbutton $expgui(diffBox).rfDCzref \
1151	-variable entryvar(zref) ] -column 2 -row 3
1152	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1153	-column 3 -row 3
1154	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1155	-width 15 ] -column 4 -row 3
1156	#
1157	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1158	-column 1 -row 4 -sticky w
1159	grid [ checkbutton $expgui(diffBox).rfDCpref \
1160	-variable entryvar(pref) ] -column 2 -row 4
1161	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1162	-column 3 -row 4
1163	grid [ entry $expgui(diffBox).eDCpola \
1164	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1165	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1166	-column 5 -row 4
1167	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1168	-textvariable entryvar(ipola)] -column 6 -row 4
1169	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1170	#---------------------------
1171	# CW - x-ray 2 wavelengths \|
1172	#---------------------------
1173	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1174	-column 3 -row 1 -sticky w
1175	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1176	-width 15 ] -column 4 -row 1
1177	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1178	-width 15 ] -column 5 -row 1
1179	#
1180	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1181	-column 1 -row 2 -sticky w
1182	grid [ checkbutton $expgui(diffBox).rfDCrref \
1183	-variable entryvar(ratref) ] -column 2 -row 2
1184	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1185	-column 3 -row 2
1186	grid [ entry $expgui(diffBox).eDCkratio \
1187	-textvariable entryvar(kratio) \
1188	-width 15 ] -column 4 -row 2
1189	#
1190	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1191	-column 3 -row 3
1192	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1193	-width 15 ] -column 4 -row 3
1194	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1195	-column 1 -row 3 -sticky w
1196	grid [ checkbutton $expgui(diffBox).rfDCzref \
1197	-variable entryvar(zref) ] -column 2 -row 3
1198	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1199	-column 1 -row 4 -sticky w
1200	grid [ checkbutton $expgui(diffBox).rfDCpref \
1201	-variable entryvar(pref) ] -column 2 -row 4
1202	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1203	-column 3 -row 4
1204	grid [ entry $expgui(diffBox).eDCpola \
1205	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1206	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1207	-column 5 -row 4
1208	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1209	-textvariable entryvar(ipola)] -column 6 -row 4
1210	-variable entryvar(zref) ] -column 2 -row 3
1211	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1212	#-------------
1213	# ED - x-ray \|
1214	#-------------
1215	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1216	-column 1 -row 1
1217	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1218	-column 2 -row 1
1219	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1220	-column 3 -row 1 -sticky w
1221	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1222	-width 15 ] -column 4 -row 1
1223	#
1224	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1225	-column 1 -row 4 -sticky w
1226	grid [ checkbutton $expgui(diffBox).rfDCpref \
1227	-variable entryvar(pref) ] -column 2 -row 4
1228	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1229	-column 3 -row 4
1230	grid [ entry $expgui(diffBox).eDCpola \
1231	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1232	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1233	-column 5 -row 4
1234	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1235	-textvariable entryvar(ipola)] -column 6 -row 4
1236	}
1237	} elseif {$expgui(globalmode) == 1} {
1238	#-------------
1239	# Global TOF \|
1240	#-------------
1241	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1242	-column 1 -row 1
1243	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1244	-column 2 -row 1
1245	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1246	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1247	#
1248	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1249	-column 1 -row 2
1250	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1251	-column 2 -row 2
1252	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1253	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1254	#
1255	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1256	-column 1 -row 3 -sticky w
1257	grid [ checkbutton $expgui(diffBox).rfDCzref \
1258	-variable entryvar(zref) ] -column 2 -row 3
1259	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1260	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1261	} elseif {$expgui(globalmode) == 2} {
1262	#--------------------
1263	# Global CW neutron \|
1264	#--------------------
1265	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1266	-column 1 -row 1
1267	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1268	-column 2 -row 1
1269	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1270	-command "editglobalparm histinfo lam1 Wavelength"] \
1271	-column 3 -row 1
1272	#
1273	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1274	-column 1 -row 3 -sticky w
1275	grid [ checkbutton $expgui(diffBox).rfDCzref \
1276	-variable entryvar(zref) ] -column 2 -row 3
1277	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1278	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1279	} elseif {$expgui(globalmode) == 4} {
1280	#----------------------
1281	# Global CW mono xray \|
1282	#----------------------
1283	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1284	-column 1 -row 1
1285	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1286	-column 2 -row 1
1287	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1288	-command "editglobalparm histinfo lam1 Wavelength"] \
1289	-column 3 -row 1
1290	#
1291	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1292	-column 1 -row 3 -sticky w
1293	grid [ checkbutton $expgui(diffBox).rfDCzref \
1294	-variable entryvar(zref) ] -column 2 -row 3
1295	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1296	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1297	#
1298	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1299	-column 1 -row 4 -sticky w
1300	grid [ checkbutton $expgui(diffBox).rfDCpref \
1301	-variable entryvar(pref) ] -column 2 -row 4
1302	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1303	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1304	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1305	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1306	} elseif {$expgui(globalmode) == 3} {
1307	#------------------------
1308	# Global alpha 1,2 xray \|
1309	#------------------------
1310	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1311	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1312	-column 3 -row 1
1313	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1314	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1315	-column 4 -row 1
1316	#
1317	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1318	-column 1 -row 3 -sticky w
1319	grid [ checkbutton $expgui(diffBox).rfDCratref \
1320	-variable entryvar(ratref) ] -column 2 -row 3
1321	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1322	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1323	-column 3 -row 3
1324	#
1325	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1326	-column 1 -row 3 -sticky w
1327	grid [ checkbutton $expgui(diffBox).rfDCzref \
1328	-variable entryvar(zref) ] -column 2 -row 3
1329	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1330	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1331	#
1332	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1333	-column 1 -row 4 -sticky w
1334	grid [ checkbutton $expgui(diffBox).rfDCpref \
1335	-variable entryvar(pref) ] -column 2 -row 4
1336	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1337	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1338	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1339	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1340	} elseif {$expgui(globalmode) == 5} {
1341	#-----------------
1342	# Global ED xray \|
1343	#-----------------
1344	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1345	-column 1 -row 1
1346	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1347	-column 2 -row 1
1348	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1349	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1350	-column 3 -row 1
1351	#
1352	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1353	-column 1 -row 4 -sticky w
1354	grid [ checkbutton $expgui(diffBox).rfDCpref \
1355	-variable entryvar(pref) ] -column 2 -row 4
1356	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1357	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1358	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1359	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1360	}
1361	if {$expgui(globalmode) == 0} {
1362	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1363	-columnspan 2 -sticky e
1364	} else {
1365	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1366	-columnspan 2 -sticky e
1367	}
1368	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1369	-column 1 -row 1
1370	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1371	grid $expgui(diffBox).d.om -column 2 -row 1
1372	grid columnconfigure $expgui(diffBox) 9 -weight 1
1373	grid columnconfigure $expgui(diffBox) 0 -weight 1
1374	update idletasks
1375	# enable traces on entryvar now
1376	set entrycmd(trace) 1
1377	}
1378
1379	#-----------------------------------------------------------------------
1380	# populate the Scaling page
1381	#-----------------------------------------------------------------------
1382	proc DisplayFrac {} {
1383	global expgui entrycmd entryvar expmap
1384
1385	# display the selected histograms
1386	$expgui(fracFrame).hs.lbox selection clear 0 end
1387	foreach h $expgui(curhist) {
1388	$expgui(fracFrame).hs.lbox selection set $h
1389	}
1390
1391	# disable traces on entryvar
1392	set entrycmd(trace) 0
1393
1394	# get histogram list
1395	set histlist {}
1396	foreach item $expgui(curhist) {
1397	lappend histlist [lindex $expmap(powderlist) $item]
1398	}
1399
1400	# must have at least one histogram selected here
1401	if {[llength $histlist] == 0} {
1402	foreach var {scale sref sdamp} {
1403	set entrycmd($var) ""
1404	set entryvar($var) ""
1405	}
1406	set parm [grid info $expgui(scaleBox).but1]
1407	if {$parm != ""} {
1408	grid forget $expgui(scaleBox).but1
1409	eval grid $expgui(scaleBox).ent1 $parm
1410	}
1411	# destroy the contents of the frame
1412	set phaseFractf1 $expgui(FracBox).f
1413	eval destroy [grid slaves $phaseFractf1]
1414	# reenable traces on entryvar
1415	set entrycmd(trace) 1
1416	return
1417	}
1418
1419	#--------------
1420	# Scale factor
1421	#--------------
1422	if {$expgui(globalmode) != 0} {
1423	foreach var {scale sref sdamp} {
1424	set entrycmd($var) "histinfo [list $histlist] $var"
1425	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1426	}
1427	set parm [grid info $expgui(scaleBox).ent1]
1428	if {$parm != ""} {
1429	grid forget $expgui(scaleBox).ent1
1430	eval grid $expgui(scaleBox).but1 $parm
1431	}
1432	} else {
1433	set hist $histlist
1434	foreach var {scale sref sdamp} {
1435	set entrycmd($var) "histinfo $hist $var"
1436	set entryvar($var) [eval $entrycmd($var)]
1437	}
1438	set parm [grid info $expgui(scaleBox).but1]
1439	if {$parm != ""} {
1440	grid forget $expgui(scaleBox).but1
1441	eval grid $expgui(scaleBox).ent1 $parm
1442	}
1443	}
1444
1445	#----------------
1446	# Phase Fractions
1447	#----------------
1448	set phaseFractf1 $expgui(FracBox).f
1449	# destroy the contents of the frame
1450	eval destroy [grid slaves $phaseFractf1]
1451	if {$expgui(globalmode) != 0} {
1452	grid [label $phaseFractf1.txt -anchor center \
1453	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1454	-column 0 -row 0 -sticky news
1455	} else {
1456	grid [label $phaseFractf1.txt -anchor center \
1457	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1458	}
1459	# Create the frame inside the canvas, One frame for each Phase.
1460	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1461	foreach hist $histlist {
1462	foreach i $expmap(phaselist_$hist) {
1463	lappend phasehistlist($i) $hist
1464	}
1465	}
1466	foreach i {1 2 3 4 5 6 7 8 9} {
1467	if {[llength $phasehistlist($i)] == 0} continue
1468	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1469	grid $framePF -column 0 -row $i -sticky ew
1470	# Label Heading for each phase.
1471	if {$expgui(globalmode) != 0} {
1472	grid [label $framePF.l1 \
1473	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1474	-column 0 -row 0 -sticky nws
1475	grid [button $framePF.but1 -text "Set Globally" \
1476	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1477	[list $phasehistlist($i)] $i" \
1478	] -column 1 -row 0
1479	} else {
1480	grid [label $framePF.l1 -text "Phase $i fraction"] \
1481	-column 0 -row 0 -sticky nws
1482	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1483	-column 1 -row 0
1484	}
1485	set entrycmd(frac$i) "hapinfo $hist $i frac"
1486	set entryvar(frac$i) [hapinfo $hist $i frac]
1487	grid [label $framePF.l2 -text " Refine"] \
1488	-column 2 -row 0 -sticky nws
1489	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1490	-column 3 -row 0 -sticky nws
1491	set entrycmd(frref$i) "hapinfo $hist $i frref"
1492	set entryvar(frref$i) [hapinfo $hist $i frref]
1493	grid [label $framePF.l3 -text " Damping"] \
1494	-column 4 -row 0 -sticky nws
1495	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1496	0 1 2 3 4 5 6 7 8 9
1497	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1498	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1499	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1500	}
1501	# resize the scroll window to match the actual
1502	update idletasks
1503	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1504	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1505	update idletasks
1506	# enable traces on entryvar now
1507	set entrycmd(trace) 1
1508	}
1509
1510	#-----------------------------------------------------------------------
1511	# display the profile page
1512	#-----------------------------------------------------------------------
1513	proc DisplayProfile {} {
1514	global expgui entrycmd entryvar expmap
1515	$expgui(profFrame).hs.lbox selection clear 0 end
1516	foreach h $expgui(curhist) {
1517	$expgui(profFrame).hs.lbox selection set $h
1518	}
1519
1520	# destroy the contents of the frame
1521	eval destroy [grid slaves $expgui(ProfileBox).f]
1522
1523	if {$expgui(globalmode) == 0} {
1524	# must have at least one histogram selected here
1525	if {[llength $expgui(curhist)] == 0} return
1526	# disable traces on entryvar for right now
1527	set entrycmd(trace) 0
1528	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1529	# Create one frame for each Phase.
1530	set ind -1
1531	set htype [string range $expmap(htype_$hist) 2 2]
1532	foreach i $expmap(phaselist_$hist) {
1533	incr ind
1534	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1535	-column 0 -row $ind -sticky ew
1536	grid [frame $expgui(ProfileBox).f.$i.1] \
1537	-column 0 -row 0 -columnspan 10 -sticky ew
1538	# Label Heading for each phase.
1539	set ptype [string trim [hapinfo $hist $i proftype]]
1540	pack [label $expgui(ProfileBox).f.$i.1.l \
1541	-text "Phase $i -- type $ptype Damping"]\
1542	-side left
1543	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1544	0 1 2 3 4 5 6 7 8 9
1545	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1546	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1547	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1548	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1549	-text " Peak cutoff"]\
1550	-side left
1551	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1552	-width 10 -textvariable entryvar(pcut_$i)]\
1553	-side left
1554	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1555	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1556
1557	set col -1
1558	set row 1
1559	set nterms [hapinfo $hist $i profterms]
1560	set lbls $expgui(prof-$htype-$ptype)
1561	# for type 4, add extra terms depending on the cell type
1562	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1563	for { set num 1 } { $num <= $nterms } { incr num } {
1564	set term {}
1565	catch {set term [lindex $lbls $num]}
1566	if {$term == ""} {set term $num}
1567	incr col
1568	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1569	-row $row -column $col
1570	incr col
1571	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1572	-variable entryvar(pref${num}_$i)] -row $row -column $col
1573	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1574	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1575	incr col
1576	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1577	-textvariable entryvar(pterm${num}_$i)\
1578	-width 14] -row $row -column $col
1579	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1580	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1581	if {$col > 6} {set col -1; incr row}
1582	}
1583	}
1584	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1585	} else {
1586	# get histogram list
1587	set histlist {}
1588	foreach item $expgui(curhist) {
1589	lappend histlist [lindex $expmap(powderlist) $item]
1590	}
1591	# must have at least one histogram selected here
1592	if {[llength $histlist] == 0} return
1593	# disable traces on entryvar for right now
1594	set entrycmd(trace) 0
1595	# loop through histograms & phases, set up an array by type
1596	catch {unset ptypearray histarray phasearray}
1597	foreach hist $histlist {
1598	foreach i $expmap(phaselist_$hist) {
1599	set ptype [string trim [hapinfo $hist $i proftype]]
1600	lappend ptypearray(${ptype}_$i) $hist
1601	lappend histarray($ptype) $hist
1602	lappend phasearray($ptype) $i
1603	}
1604	}
1605
1606	set ptype ""
1607	set title ""
1608	set ind -1
1609	foreach key "[lsort [array names ptypearray]] 0_0" {
1610	# split key
1611	scan $key %d_%d type p
1612	# 1st time through
1613	if {$ptype == ""} {set ptype $type}
1614	if {$ptype == $type} {
1615	# we've seen this one before
1616	if {$title != ""} {append title "\n"}
1617	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1618	} else {
1619	set hist [lindex $histarray($ptype) 0]
1620	set phase [lindex $phasearray($ptype) 0]
1621	set nterms [hapinfo $hist $phase profterms]
1622	set htype [string range $expmap(htype_$hist) 2 2]
1623	set lbls $expgui(prof-$htype-$ptype)
1624	set i $ptype
1625	# Create one frame for this type
1626	incr ind
1627	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1628	-column 0 -row $ind -sticky ew
1629	grid [frame $expgui(ProfileBox).f.$i.0] \
1630	-column 0 -row 0 -columnspan 20 -sticky ew
1631	grid [label $expgui(ProfileBox).f.$i.0.0 \
1632	-text "Profile Type $ptype "] -row 0 -column 0
1633	grid [label $expgui(ProfileBox).f.$i.0.1 \
1634	-text $title -anchor w] -row 0 -column 1
1635	grid [frame $expgui(ProfileBox).f.$i.1] \
1636	-column 0 -row 1 -columnspan 20 -sticky ew
1637	grid [label $expgui(ProfileBox).f.$i.1.2 \
1638	-text "Damping"] -row 0 -column 2
1639	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1640	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1641	set entrycmd(pdamp_$ptype) "hapinfo \
1642	[list $histarray($ptype)] \
1643	[list $phasearray($ptype)] pdamp"
1644	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1645	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1646	grid [button $expgui(ProfileBox).f.$i.1.edit \
1647	-text "Global Edit" \
1648	-command "EditProfile [list $title] \
1649	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1650	] -row 0 -column 4 -sticky w
1651	# for type 4, add extra terms depending on the cell type
1652	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1653	set col -1
1654	set row 2
1655	for { set num 1 } { $num <= $nterms } { incr num } {
1656	set term {}
1657	catch {set term [lindex $lbls $num]}
1658	if {$term == ""} {set term $num}
1659	incr col
1660	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1661	-row $row -column $col
1662	incr col
1663	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1664	-variable entryvar(pref${num}_$i)] \
1665	-row $row -column $col
1666	set entrycmd(pref${num}_$i) "hapinfo \
1667	[list $histarray($ptype)] \
1668	[list $phasearray($ptype)] pref$num"
1669	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1670	if {$col > 10} {set col -1; incr row}
1671	}
1672	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1673	set ptype ""
1674	}
1675	}
1676	}
1677
1678	# resize the scroll window to match the actual
1679	update idletasks
1680	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1681	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1682	update idletasks
1683	# enable traces on entryvar now
1684	set entrycmd(trace) 1
1685	}
1686
1687	# profile labels for type 4 profile
1688	proc type4lbls {lbls nterms phase} {
1689	if {$nterms == 14} {
1690	# cubic
1691	lappend lbls S400 S220
1692	} elseif {$nterms == 15} {
1693	# hexagonal
1694	lappend lbls S400 S004 S202
1695	} elseif {$nterms == 16} {
1696	# tetragonal or rhombohedral
1697	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1698	# rhombohedral
1699	lappend lbls S400 S220 S310 S211
1700	} else {
1701	lappend lbls S400 S004 S220 S202
1702	}
1703	} elseif {$nterms == 18} {
1704	# orthorhombic
1705	lappend lbls S400 S040 S004 S220 S202 S022
1706	} elseif {$nterms == 21} {
1707	# monoclinic
1708	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1709	} elseif {$nterms == 25} {
1710	# triclinic
1711	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1712	S130 S301 S013 S211 S121 S112
1713	}
1714	return $lbls
1715	}
1716
1717	# process the bit settings in the print options
1718	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1719	proc printsetting {bitnum "action get" "value {}"} {
1720	global entryvar expgui
1721	if {$action == "get"} {
1722	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1723	} elseif $value {
1724	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1725	} else {
1726	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1727	}
1728	expinfo print set $newval
1729	set expgui(printopt) "Print Options ([expinfo print])"
1730	}
1731
1732	# need to respond to mouse presses -- control variable associated with extract Fobs
1733	# and set the LeBail extraction flags
1734	proc SetupExtractHist {} {
1735	global expgui entrycmd entryvar expmap
1736
1737	# display the selected histograms
1738	$expgui(lsFrame).hs.lbox selection clear 0 end
1739	foreach h $expgui(curhist) {
1740	$expgui(lsFrame).hs.lbox selection set $h
1741	}
1742
1743	# get histogram list
1744	set histlist {}
1745	foreach item $expgui(curhist) {
1746	lappend histlist [lindex $expmap(powderlist) $item]
1747	}
1748	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1749	if {[llength $histlist] == 0} {
1750	foreach phase {1 2 3 4 5 6 7 8 9} {
1751	$expgui(lsFrame).f1.a.l$phase config -fg grey
1752	set expgui(Fextract$phase) {}
1753	#foreach item "a.ca$phase a.cb$phase a.cc$phase"
1754	foreach item "a.ca$phase a.cc$phase" {
1755	$expgui(lsFrame).f1.$item config -state disabled -bd 1
1756	}
1757	}
1758	} elseif {[llength $histlist] == 1} {
1759	# disable traces on entryvar
1760	set entrycmd(trace) 0
1761	set entryvar(fobsextract) [histinfo $histlist foextract]
1762	foreach phase {1 2 3 4 5 6 7 8 9} {
1763	# is the phase present?
1764	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1765	$expgui(lsFrame).f1.a.l$phase config -fg grey
1766	set expgui(Fextract$phase) {}
1767	# foreach item "a.ca$phase a.cb$phase a.cc$phase"
1768	foreach item "a.ca$phase a.cc$phase" {
1769	$expgui(lsFrame).f1.$item config -state disabled -bd 1
1770	}
1771	} else {
1772	$expgui(lsFrame).f1.a.l$phase config -fg black
1773	# foreach item "a.ca$phase a.cb$phase a.cc$phase"
1774	foreach item "a.ca$phase a.cc$phase" {
1775	$expgui(lsFrame).f1.$item config -state normal -bd 2
1776	}
1777	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1778	}
1779	}
1780	} elseif {[llength $histlist] > 1} {
1781	# disable traces on entryvar
1782	set entrycmd(trace) 0
1783	# multiple histograms need phases in any histogram
1784	foreach phase {1 2 3 4 5 6 7 8 9} {
1785	set gotphase($phase) 0
1786	}
1787	foreach hist $histlist {
1788	foreach phase $expmap(phaselist_$hist) {
1789	set gotphase($phase) 1
1790	}
1791	}
1792	foreach phase {1 2 3 4 5 6 7 8 9} {
1793	set expgui(Fextract$phase) {}
1794	if $gotphase($phase) {
1795	$expgui(lsFrame).f1.a.l$phase config -fg black
1796	foreach item "a.ca$phase a.cb$phase a.cc$phase" {
1797	$expgui(lsFrame).f1.$item config -state normal -bd 2
1798	}
1799	} else {
1800	$expgui(lsFrame).f1.a.l$phase config -fg grey
1801	foreach item "a.ca$phase a.cb$phase a.cc$phase" {
1802	$expgui(lsFrame).f1.$item config -state disabled -bd 1
1803	}
1804	}
1805	}
1806	}
1807	# reenable traces
1808	set entrycmd(trace) 1
1809	}
1810	# respond to a change in the fobs extraction method for a phase
1811	# force the main extraction flag on, if fobs extraction is selected for any phase
1812	proc HistExtractSet {phase} {
1813	global expgui entryvar expmap
1814	foreach item $expgui(curhist) {
1815	lappend histlist [lindex $expmap(powderlist) $item]
1816	}
1817	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1818	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1819	}
1820	#---------------------------- Global Edit Functions ------------------------
1821	proc editbackground {} {
1822	global expgui expmap entrycmd
1823	set histlist {}
1824	foreach n $expgui(curhist) {
1825	lappend histlist [lindex $expmap(powderlist) $n]
1826	}
1827	if {[llength $histlist] == 0} return
1828
1829	set w .back
1830	catch {destroy $w}
1831	toplevel $w -bg beige
1832	if {$expgui(globalmode) != 0} {
1833	wm title $w "Edit Background"
1834	} else {
1835	wm title $w "Global Edit Background"
1836	}
1837
1838	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1839	] -side top -expand yes -fill both
1840	if {[llength $histlist] > 1} {
1841	grid [label $w.0.a \
1842	-text "Setting background terms for histograms [CompressList $histlist]" \
1843	-bg beige] -row 0 -column 0 -columnspan 10
1844	} else {
1845	grid [label $w.0.a \
1846	-text "Setting background terms for histogram $histlist" \
1847	-bg beige] -row 0 -column 0 -columnspan 10
1848	}
1849	set hist [lindex $histlist 0]
1850	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1851
1852	# disable traces on expgui(backtype) & expgui(backterms) now
1853	set entrycmd(trace) 0
1854
1855	# number of terms
1856	set expgui(backtype) [histinfo $hist backtype]
1857	set expgui(orig_backtype) $expgui(backtype)
1858	set expgui(prev_backtype) $expgui(backtype)
1859	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1860	grid $w.0.type -row 1 -column 1
1861	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1862
1863	# function type
1864	set expgui(backterms) [histinfo $hist backterms]
1865	set expgui(orig_backterms) $expgui(backterms)
1866	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1867	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1868	grid $w.0.terms -row 1 -column 3
1869	# enable traces on expgui(backtype) & expgui(backterms) now
1870	set entrycmd(trace) 1
1871
1872	#set background terms
1873	for {set num 1 } { $num <= 36 } { incr num } {
1874	set var "bterm$num"
1875	set expgui($var) {}
1876	set expgui(orig_$var) {}
1877	}
1878	if {[llength $histlist] == 1} {
1879	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1880	set var "bterm$num"
1881	set expgui($var) [histinfo $histlist $var]
1882	set expgui(orig_$var) $expgui($var)
1883	}
1884	}
1885
1886	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1887	-expand yes -fill both
1888	ShowBackTerms $w.1
1889
1890	set expgui(temp) {}
1891	pack [frame $w.b] -side top
1892	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1893	pack [button $w.b.3 -text Quit \
1894	-command "QuitEditBackground $w"] -side left
1895	# force the window to stay on top
1896	wm transient $w [winfo toplevel [winfo parent $w]]
1897
1898	bind $w <Return> "destroy $w"
1899	wm withdraw $w
1900	update idletasks
1901	# center the new window in the middle of the parent
1902	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
1903	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
1904	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
1905	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
1906	wm geom $w +$x+$y
1907	wm deiconify $w
1908
1909	set oldFocus [focus]
1910	set oldGrab [grab current $w]
1911	if {$oldGrab != ""} {
1912	set grabStatus [grab status $oldGrab]
1913	}
1914	grab $w
1915	focus $w.b.2
1916	tkwait window $w
1917
1918	catch {focus $oldFocus}
1919	if {$oldGrab != ""} {
1920	if {$grabStatus == "global"} {
1921	grab -global $oldGrab
1922	} else {
1923	grab $oldGrab
1924	}
1925	}
1926
1927	if {$expgui(temp) != ""} return
1928
1929	if {$expgui(orig_backtype) != $expgui(backtype)} {
1930	histinfo $histlist backtype set $expgui(backtype)
1931	}
1932	if {$expgui(orig_backterms) != $expgui(backterms)} {
1933	histinfo $histlist backterms set $expgui(backterms)
1934	}
1935	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1936	set var "bterm$num"
1937	if {$expgui(orig_$var) != $expgui($var)} {
1938	histinfo $histlist $var set $expgui($var)
1939	}
1940	}
1941
1942	if {$expgui(globalmode) == 0} {
1943	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1944	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1945	}
1946	}
1947
1948	trace variable expgui(backterms) w ChangeBackTerms
1949	proc ChangeBackTerms {a b c} {
1950	global entrycmd expgui
1951	if !$entrycmd(trace) return
1952	ShowBackTerms .back.1
1953	}
1954
1955	trace variable expgui(backtype) w ChangeBackType
1956	# reset the terms to 1, 0, 0... when the number of terms increase
1957	proc ChangeBackType {a b c} {
1958	global entrycmd expgui
1959	if !$entrycmd(trace) return
1960	if {$expgui(prev_backtype) == $expgui(backtype)} return
1961	set expgui(prev_backtype) $expgui(backtype)
1962	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1963	set var "bterm$num"
1964	if {$num == 1} {
1965	set expgui($var) 1.0
1966	} else {
1967	set expgui($var) 0.0
1968	}
1969	}
1970	}
1971
1972	proc ShowBackTerms {w } {
1973	global expgui expmap
1974	# destroy the contents of the frame
1975	eval destroy [grid slaves $w]
1976	set histlist {}
1977	foreach n $expgui(curhist) {
1978	lappend histlist [lindex $expmap(powderlist) $n]
1979	}
1980	set widgetsPerRow 4
1981	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
1982	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
1983	set var "bterm$num"
1984	grid [label $w.l$num -text $num -bg beige] \
1985	-row $rows -column $cols -sticky nes
1986	incr cols
1987	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
1988	] -row $rows -column $cols -sticky news
1989	incr cols
1990	}
1991	}
1992	}
1993
1994	proc QuitEditBackground {w} {
1995	global expgui
1996	# lets find out if anything changed
1997	set changed 0
1998	if {$expgui(orig_backtype) != $expgui(backtype)} {
1999	set changed 1
2000	}
2001	if {$expgui(orig_backterms) != $expgui(backterms)} {
2002	set changed 1
2003	}
2004	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2005	set var "bterm$num"
2006	if {$expgui(orig_$var) != $expgui($var)} {
2007	set changed 1
2008	break
2009	}
2010	}
2011	if $changed {
2012	set decision [tk_dialog .changes "Abandon Changes" \
2013	"You have made changes to the background. Ok to abandon changes?" \
2014	warning 0 Abandon Keep]
2015	if !$decision {
2016	set expgui(temp) "Quit"
2017	destroy $w
2018	}
2019	} else {
2020	set expgui(temp) "Quit"
2021	destroy $w
2022	}
2023	}
2024
2025	# this probably needs work
2026	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2027	global expgui expmap
2028	set w .global
2029	catch {destroy $w}
2030	toplevel $w -bg beige
2031	wm title $w "Edit Global Parameter"
2032	set expgui(temp) {}
2033	if {[llength $histlist] == 0} {
2034	set hist {}
2035	foreach n $expgui(curhist) {
2036	lappend hist [lindex $expmap(powderlist) $n]
2037	}
2038	} else {
2039	set hist $histlist
2040	}
2041	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2042	-side top -expand yes -fill both
2043	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2044	-bg beige] \
2045	-row 0 -column 0 -columnspan 10
2046	grid [entry $w.0.b -textvariable expgui(temp)] \
2047	-row 1 -column 0
2048
2049
2050	pack [frame $w.b] -side top
2051	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2052	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2053	# force the window to stay on top
2054	wm transient $w [winfo toplevel [winfo parent $w]]
2055
2056	bind $w <Return> "destroy $w"
2057	wm withdraw $w
2058	update idletasks
2059	# center the new window in the middle of the parent
2060	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2061	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2062	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2063	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2064	wm geom $w +$x+$y
2065	wm deiconify $w
2066
2067	set oldFocus [focus]
2068	set oldGrab [grab current $w]
2069	if {$oldGrab != ""} {
2070	set grabStatus [grab status $oldGrab]
2071	}
2072	grab $w
2073	focus $w.b.2
2074	tkwait window $w
2075	if {$expgui(temp) != ""} {
2076	foreach h $hist {
2077	if {$cmd == "histinfo"} {
2078	histinfo $h $variable set $expgui(temp)
2079	if $expgui(debug) {
2080	puts "histinfo $h $variable set $expgui(temp)"
2081	}
2082	} elseif {$cmd == "hapinfo"} {
2083	hapinfo $h $phase $variable set $expgui(temp)
2084	if $expgui(debug) {
2085	puts "hapinfo $phase $h $variable set $expgui(temp)"
2086	}
2087	} else {
2088	error "$cmd unimplemented"
2089	}
2090	}
2091	}
2092	catch {focus $oldFocus}
2093	if {$oldGrab != ""} {
2094	if {$grabStatus == "global"} {
2095	grab -global $oldGrab
2096	} else {
2097	grab $oldGrab
2098	}
2099	}
2100	}
2101
2102	proc EditProfile {title histlist phaselist} {
2103	global expgui expmap entrycmd
2104	set w .back
2105	catch {destroy $w}
2106	toplevel $w -bg beige
2107	wm title $w "Global Edit Profile"
2108	set hist [lindex $histlist 0]
2109	set phase [lindex $phaselist 0]
2110	set ptype [string trim [hapinfo $hist $phase proftype]]
2111	set htype [string range $expmap(htype_$hist) 2 2]
2112	set nterms [hapinfo $hist $phase profterms]
2113
2114	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2115	] -side top -expand yes -fill both
2116	grid [label $w.0.a \
2117	-text "Setting profile terms: $title" \
2118	-bg beige] -row 0 -column 0 -columnspan 10
2119	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2120
2121	# number of terms
2122	# set expgui(backtype) [histinfo $hist backtype]
2123	# set expgui(orig_backtype) $expgui(backtype)
2124	# set expgui(prev_backtype) $expgui(backtype)
2125	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2126	# grid $w.0.type -row 1 -column 1
2127
2128	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2129	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2130	set entrylist {}
2131	lappend entrylist "pcut $w.0.d"
2132
2133	set col -1
2134	set row 1
2135	set lbls $expgui(prof-$htype-$ptype)
2136	# for type 4, add extra terms depending on the cell type
2137	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2138	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2139	] -side top -expand yes -fill both
2140	for { set num 1 } { $num <= $nterms } { incr num } {
2141	set term {}
2142	catch {set term [lindex $lbls $num]}
2143	if {$term == ""} {set term $num}
2144	incr col
2145	grid [label $w.1.l${num} -text "$term" -bg beige] \
2146	-row $row -column $col
2147	incr col
2148	grid [entry $w.1.ent${num} \
2149	-width 14] -row $row -column $col
2150	lappend entrylist "pterm$num $w.1.ent${num}"
2151	if {$col > 6} {set col -1; incr row}
2152	}
2153	pack [frame $w.b] -side top
2154	pack [button $w.b.2 -text Set \
2155	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2156	[list $histlist] $w"] -side left
2157	pack [button $w.b.3 -text Quit \
2158	-command "QuitEditProfile $w [list $entrylist]"] -side left
2159	# force the window to stay on top
2160	wm transient $w [winfo toplevel [winfo parent $w]]
2161
2162	bind $w <Return> "destroy $w"
2163	wm withdraw $w
2164	update idletasks
2165	# center the new window in the middle of the parent
2166	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2167	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2168	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2169	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2170	wm geom $w +$x+$y
2171	wm deiconify $w
2172
2173	set oldFocus [focus]
2174	set oldGrab [grab current $w]
2175	if {$oldGrab != ""} {
2176	set grabStatus [grab status $oldGrab]
2177	}
2178	grab $w
2179	focus $w.b.2
2180	tkwait window $w
2181
2182	catch {focus $oldFocus}
2183	if {$oldGrab != ""} {
2184	if {$grabStatus == "global"} {
2185	grab -global $oldGrab
2186	} else {
2187	grab $oldGrab
2188	}
2189	}
2190	}
2191
2192	proc SetEditProfile {entrylist phaselist histlist w} {
2193	global expgui
2194	foreach item $entrylist {
2195	set value [ [lindex $item 1] get ]
2196	if {$value != ""} {
2197	hapinfo $histlist $phaselist [lindex $item 0] set $value
2198	if $expgui(debug) {
2199	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2200	}
2201	}
2202	}
2203	destroy $w
2204	}
2205
2206	proc QuitEditProfile {w entrylist} {
2207	global expgui
2208	# lets find out if anything changed
2209	set changed 0
2210	foreach item $entrylist {
2211	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2212	}
2213	if $changed {
2214	set decision [tk_dialog .changes "Abandon Changes" \
2215	"You have made changes to the Profile. Ok to abandon changes?" \
2216	warning 0 Abandon Keep]
2217	if !$decision {destroy $w}
2218	} else {
2219	destroy $w
2220	}
2221	}
2222
2223	##############################################################################
2224	## #############################################
2225	## END OF THE PROCEDURES SECTION #############################################
2226	## #############################################
2227	##############################################################################
2228
2229	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2230	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2231	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2232	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2233	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2234	# A frame for menu items at top of display
2235	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2236	# Pack the menu frame.
2237	pack $expgui(fm) -fill x -side top -anchor n
2238
2239	# create a button bar
2240	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2241
2242	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2243	# & LS controls
2244	if $expgui(havetix) {
2245	pack [tixNoteBook .n] -expand yes -fill both
2246	.n add lsPane -label "LS Controls" -underline 0
2247	.n pageconfigure lsPane -raisecmd \
2248	"set expgui(pagenow) lsFrame; SetupExtractHist"
2249	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2250	.n add phasePane -label "Phase" -underline 0
2251	.n pageconfigure phasePane -raisecmd \
2252	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2253	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2254	.n add histPane -label "Histogram" -underline 0
2255	.n pageconfigure histPane -raisecmd \
2256	"set expgui(pagenow) histFrame; DisplayHistogram"
2257	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2258	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2259	.n add fracPane -label "Scaling" -underline 6
2260	.n pageconfigure fracPane -raisecmd \
2261	"set expgui(pagenow) fracFrame; DisplayFrac"
2262	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2263	.n add profPane -label Profile -underline 1
2264	.n pageconfigure profPane -raisecmd \
2265	"set expgui(pagenow) profFrame; DisplayProfile"
2266	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2267	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2268	# Finding the pathname to the subwidget frames.
2269	set expgui(phaseFrame) [.n subwidget phasePane]
2270	set expgui(histFrame) [.n subwidget histPane]
2271	set expgui(fracFrame) [.n subwidget fracPane]
2272	set expgui(profFrame) [.n subwidget profPane]
2273	set expgui(lsFrame) [.n subwidget lsPane]
2274	} else {
2275	pack [frame .frmbar] -side top -anchor w
2276	pack [frame .n] -anchor w -fill both -expand yes
2277	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2278	page {"LS Controls" Phase Histogram Scaling Profile } {
2279	pack [button .frmbar.$item -text $page -bd 2 \
2280	-command "RaisePage $item"] -side left
2281	set expgui($item) [frame .n.$item -relief flat]
2282	}
2283	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2284	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2285	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2286	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2287	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2288	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2289	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2290	}
2291
2292	# this is used in the non-tix notebook to bring up the selected frame
2293	proc RaisePage {nextpage} {
2294	global expgui
2295	set expgui(pagenow) $nextpage
2296	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2297	if {$item == $nextpage} {
2298	.frmbar.$item config -relief flat
2299	} else {
2300	.frmbar.$item config -relief raised
2301	}
2302	}
2303	# forget all other pages
2304	foreach child [pack slaves .n] {
2305	pack forget $child
2306	}
2307	pack .n.$nextpage -anchor w -fill both -expand yes
2308	foreach set $expgui(frameactionlist) {
2309	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2310	}
2311	}
2312	#----------------------------------------------------------------------------
2313	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2314	# Setup major frames here
2315	frame $expgui(phaseFrame).top
2316	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2317	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2318	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2319	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2320	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2321
2322	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2323	grid $frameLatt -sticky news -row 2 -column 0
2324	grid $fbig -sticky news -row 3 -column 0
2325	# give extra space to the atoms box
2326	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2327	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2328	grid $frame3 -sticky news -row 4 -column 0
2329	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2330	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2331	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2332	# this is where the buttons will go
2333	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2334
2335	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2336	-fg blue ] -column 1 -row 0 -sticky e
2337	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2338	-fg blue -width 45] -column 2 -row 0 -sticky e
2339	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2340	# ------------- Lattice Parameter Box ------------------
2341	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2342	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2343	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2344	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2345	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2346	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2347	set l1 [label $frameLatt.l1 -text "a"]
2348	set l2 [label $frameLatt.l2 -text "b"]
2349	set l3 [label $frameLatt.l3 -text "c"]
2350	set l4 [label $frameLatt.l4 -text "alpha"]
2351	set l5 [label $frameLatt.l5 -text "beta"]
2352	set l6 [label $frameLatt.l6 -text "gamma"]
2353	grid $e1 -column 1 -row 0 -padx 5
2354	grid $e2 -column 3 -row 0 -padx 5
2355	grid $e3 -column 5 -row 0 -padx 5
2356	grid $e4 -column 1 -row 1 -padx 5
2357	grid $e5 -column 3 -row 1 -padx 5
2358	grid $e6 -column 5 -row 1 -padx 5
2359	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2360	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2361	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2362	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2363	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2364	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2365
2366	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2367	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2368	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2369	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2370	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2371	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2372
2373	#-------------- Begin Atom Coordinates Box ---------------------------------
2374	grid [listbox $fbig.title -height 1 -relief flat] \
2375	-row 0 -column 0 -sticky ew
2376	set expgui(atomtitle) $fbig.title
2377	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2378	grid [listbox $fbig.lbox -height 10 \
2379	-xscrollcommand " $fbig.bscr set"\
2380	-yscrollcommand " $fbig.rscr set"\
2381	] -row 1 -column 0 -sticky news
2382	set expgui(atomlistbox) $fbig.lbox
2383	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2384	grid [scrollbar $fbig.bscr -orient horizontal \
2385	-command "move2boxes \" $fbig.title $fbig.lbox \" "
2386	] -row 2 -column 0 -sticky ew
2387	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2388	] -row 1 -column 1 -sticky ns
2389	# give extra space to the atoms box
2390	grid columnconfigure $fbig 0 -weight 1
2391	grid rowconfigure $fbig 1 -weight 1
2392
2393	proc move2boxes {boxlist args} {
2394	foreach listbox $boxlist {
2395	eval $listbox xview $args
2396	}
2397	}
2398	# BIND mouse in editbox
2399	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2400	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2401
2402	#-------------- End Atoms Section ---------------------------------
2403
2404	# --------------------------- Begin Edit Box -------------------------------
2405	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2406	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
2407
2408	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2409	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2410
2411	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2412	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2413	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2414	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2415	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2416	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2417
2418	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2419	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2420
2421	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2422	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2423	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2424	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2425	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2426	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2427	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2428	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2429	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2430
2431	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2432	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2433
2434	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2435	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2436
2437	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2438	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2439	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2440	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2441	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2442	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2443	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2444	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2445	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2446	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2447
2448	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2449	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2450	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2451	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2452	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2453	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2454	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2455	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2456
2457
2458	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2459	grid $f3f31 -column 0 -row 7 -columnspan 12
2460	set expgui(anisolabels) {}
2461	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2462	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2463	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2464	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2465	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2466	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2467
2468	set expgui(anisoentry) {}
2469	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2470	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2471	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2472	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2473	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2474	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2475
2476	set col 0
2477	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2478	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2479	incr col
2480	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2481	incr col
2482	}
2483	# --------------------------- End Edit Box --------------------------------
2484
2485	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2486	#-----------------------------------------------------------------------------
2487	#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
2488	grid [frame $expgui(histFrame).hs] \
2489	-column 0 -row 0 -rowspan 10 -sticky nsew
2490	grid columnconfigure $expgui(histFrame) 0 -weight 1
2491	grid rowconfigure $expgui(histFrame) 1 -weight 1
2492	grid rowconfigure $expgui(histFrame) 2 -weight 1
2493	grid rowconfigure $expgui(histFrame) 3 -weight 1
2494	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2495	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2496	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2497	-font $expgui(histfont) \
2498	-xscrollcommand "$expgui(histFrame).hs.x set" \
2499	-yscrollcommand "$expgui(histFrame).hs.y set" \
2500	] -row 1 -column 0 -sticky news
2501	lappend expgui(HistSelectList) $expgui(histFrame).hs
2502	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2503	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2504	] -row 2 -column 0 -sticky ew
2505	grid [scrollbar $expgui(histFrame).hs.y \
2506	-command "$expgui(histFrame).hs.lbox yview"] \
2507	-row 1 -column 1 -sticky ns
2508	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2509	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2510	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2511	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2512	DisplayHistogram
2513	}
2514	bind $expgui(histFrame).hs.lbox <Button-3> {
2515	if $expgui(globalmode) {
2516	$expgui(histFrame).hs.lbox selection set 0 end
2517	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2518	DisplayHistogram
2519	}
2520	}
2521
2522
2523	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2524	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2525	if $expgui(havetix) {
2526	foreach item {backBox diffBox} num {2 3} \
2527	title {Background "Diffractometer Constants"} {
2528	tixLabelFrame $expgui(histFrame).$item \
2529	-borderwidth 4 -width 600 -height 100 -label $title
2530	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2531	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2532	}
2533	} else {
2534	foreach item {backBox diffBox} num {1 2} \
2535	title {Background "Diffractometer Constants"} {
2536	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2537	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2538	set expgui($item) $expgui(histFrame).$item
2539	grid [label $expgui(histFrame).$item.title -text $title] \
2540	-row 0 -column 0 -columnspan 10 -sticky nw
2541	}
2542	}
2543
2544	# BACKGROUND information.
2545	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2546	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2547	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2548	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2549	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2550	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2551	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2552	-command editbackground] \
2553	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2554	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2555	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2556	-row 2 -column 1 -sticky news -padx 4 -pady 3
2557	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2558	-variable entryvar(bref) ] \
2559	-row 2 -column 2 -sticky news -padx 4 -pady 3
2560	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2561	-row 2 -column 3 -sticky w -padx 2 -pady 3
2562	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2563	grid $expgui(backBox).f1.om \
2564	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2565
2566	# DIFFRACTOMETER CONSTANTS SECTION
2567
2568	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2569	###############################################################################
2570	#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
2571
2572	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2573	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2574	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2575	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2576	-font $expgui(histfont) \
2577	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2578	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2579	] -row 1 -column 0 -sticky news
2580	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2581	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2582	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2583	] -row 2 -column 0 -sticky ew
2584	grid [scrollbar $expgui(fracFrame).hs.y \
2585	-command "$expgui(fracFrame).hs.lbox yview"] \
2586	-row 1 -column 1 -sticky ns
2587	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2588	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2589	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2590	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2591	DisplayFrac
2592	}
2593	bind $expgui(fracFrame).hs.lbox <Button-3> {
2594	if $expgui(globalmode) {
2595	$expgui(fracFrame).hs.lbox selection set 0 end
2596	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2597	DisplayFrac
2598	}
2599	}
2600	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2601	# Create a large canvas area containing a frame for each phase in the data set.
2602	# The canvas and vertical scrollbar are inside a frame called f1
2603	if $expgui(havetix) {
2604	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2605	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2606	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2607	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2608	} else {
2609	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2610	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2611	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2612	}
2613	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2614	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2615	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2616	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2617	button $expgui(scaleBox).but1 -text "Set Globally" \
2618	-command "editglobalparm histinfo scale {Scale Factor}"
2619
2620	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2621	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2622	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2623	-row 1 -column 3 -sticky news -padx 4 -pady 3
2624	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2625	-row 1 -column 4 -sticky w -padx 2 -pady 3
2626	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2627	grid $expgui(scaleBox).om \
2628	-row 1 -column 5 -sticky news -padx 4 -pady 3
2629	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2630
2631	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2632	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2633	-sticky news -row 1 -column 0
2634	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2635	-sticky ns -row 1 -column 1
2636
2637	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2638	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2639
2640	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2641	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2642	frame $expgui(FracBox).f -bd 0
2643	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2644
2645	# the rest of the page is created in DisplayFrac
2646	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2647	###############################################################################
2648	# 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
2649	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2650	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2651	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2652	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2653	-font $expgui(histfont) \
2654	-xscrollcommand "$expgui(profFrame).hs.x set" \
2655	-yscrollcommand "$expgui(profFrame).hs.y set" \
2656	] -row 1 -column 0 -sticky news
2657	lappend expgui(HistSelectList) $expgui(profFrame).hs
2658	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2659	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2660	] -row 2 -column 0 -sticky ew
2661	grid [scrollbar $expgui(profFrame).hs.y \
2662	-command "$expgui(profFrame).hs.lbox yview"] \
2663	-row 1 -column 1 -sticky ns
2664	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2665	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2666	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2667	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2668	DisplayProfile
2669	}
2670	bind $expgui(profFrame).hs.lbox <Button-3> {
2671	if $expgui(globalmode) {
2672	$expgui(profFrame).hs.lbox selection set 0 end
2673	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2674	DisplayProfile
2675	}
2676	}
2677
2678	# Create a large canvas area containing a frame for each phase in the data set.
2679	# The canvas and vertical scrollbar are inside a frame called f1
2680	pack [frame $expgui(profFrame).f1] -fill both -expand true
2681	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2682	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2683	-sticky news -row 0 -column 0
2684	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2685	-sticky ns -row 0 -column 1
2686
2687	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2688	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2689
2690	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2691	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2692	frame $expgui(ProfileBox).f -bd 0
2693	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2694
2695	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2696	##############################################################################
2697	# 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
2698	array set printopts {
2699	0 "Print the reciprocal metric tensor changes"
2700	1 "Print the correlation matrix"
2701	2 "Print the Least-Squares matrices and vectors"
2702	4 "Print the linear constraint matrices"
2703	5 "Print the applied shifts and shift factors"
2704	6 "Print the reciprocal metric tensor Var-Covar terms"
2705	7 "Print all parameters for each cycle"
2706	8 "Print summary shift/esd data after last cycle"
2707	9 "Print zero/unit pole figure constraint terms"
2708	}
2709	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2710	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2711	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2712	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2713	-font $expgui(histfont) \
2714	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2715	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2716	] -row 1 -column 0 -sticky news
2717	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2718	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2719	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2720	] -row 2 -column 0 -sticky ew
2721	grid [scrollbar $expgui(lsFrame).hs.y \
2722	-command "$expgui(lsFrame).hs.lbox yview"] \
2723	-row 1 -column 1 -sticky ns
2724	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2725	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2726	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2727	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2728	SetupExtractHist
2729	}
2730	bind $expgui(lsFrame).hs.lbox <Button-3> {
2731	if $expgui(globalmode) {
2732	$expgui(lsFrame).hs.lbox selection set 0 end
2733	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2734	SetupExtractHist
2735	}
2736	}
2737
2738	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2739	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2740	set row 0
2741	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2742	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2743	-textvariable expgui(last_History)] \
2744	-row $row -column 1 -columnspan 5 -sticky w
2745	incr row
2746	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2747	grid [entry $expgui(lsFrame).f1.tit2 \
2748	-textvariable entryvar(title) -width 48] \
2749	-row $row -column 1 -columnspan 5 -sticky w
2750	set entrycmd(title) "expinfo title"
2751
2752	incr row
2753	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2754	-row $row -column 0 -columnspan 2 -pady 3
2755	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2756	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2757	-textvariable entryvar(cycles)] -row 0 -column 1
2758	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2759	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2760	] -row $row -column 2
2761	menu $expgui(lsFrame).f1.lprint.menu
2762	foreach num [lsort [array names printopts]] {
2763	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2764	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2765	-variable entryvar(printopt$num)
2766	}
2767	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2768	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2769	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2770	incr row
2771	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2772	foreach num {1 2 3 4 5 6 7 8 9} {
2773	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2774	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2775	-command "HistExtractSet $num" \
2776	-variable expgui(Fextract$num) -value 0] \
2777	-row 2 -column $num
2778	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2779	-command "HistExtractSet $num" \
2780	-variable expgui(Fextract$num) -value 1] \
2781	-row 3 -column $num
2782	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2783	# -command "HistExtractSet $num" \
2784	# -variable expgui(Fextract$num) -value 2] \
2785	# -row 4 -column $num
2786	}
2787	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2788	-column 0 -columnspan 11 -row 0
2789	grid [label $expgui(lsFrame).f1.a.t0 -text "Histogram #" -anchor c] -column 0 -row 1
2790	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2791	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2792	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2793	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2794	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2795	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2796	#-------------------------------------------------------------------------
2797	#-------------------------------------------------------------------------
2798	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2799
2800	#---- file menu button
2801	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2802	menu $expgui(fm).file.menu
2803	if $expgui(debug) {
2804	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2805	-command "reset"
2806	}
2807	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2808	-command readnewexp
2809	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2810	-command savearchiveexp
2811	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2812	-command "SaveAsFile"
2813	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2814	-command {rereadexp $expgui(expfile)}
2815	#$expgui(fm).file.menu add command -label "Close" -underline 0
2816
2817	#---- help menu button
2818	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2819	menu $expgui(fm).help.menu
2820	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2821	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2822
2823	#---- options menu button
2824	menubutton $expgui(fm).option -text Options -underline 0 \
2825	-menu $expgui(fm).option.menu
2826	menu $expgui(fm).option.menu
2827
2828	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2829	-variable expgui(archive) -underline 0
2830
2831	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2832	-label "Sort atoms by"
2833
2834	set expgui(asorttype) number
2835	menu $expgui(fm).option.menu.asort
2836	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2837	-label number -value number -variable expgui(asorttype)
2838	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2839	-label type -value type -variable expgui(asorttype)
2840	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2841	-label x -value x -variable expgui(asorttype)
2842	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2843	-label y -value y -variable expgui(asorttype)
2844	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2845	-label z -value z -variable expgui(asorttype)
2846
2847
2848	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2849	-label "Sort histograms by"
2850
2851	set expgui(hsorttype) number
2852	menu $expgui(fm).option.menu.hsort
2853	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2854	-label number -value number -variable expgui(hsorttype)
2855	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2856	-label "Histogram type" -value type -variable expgui(hsorttype)
2857	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2858	-label "Bank #" -value bank -variable expgui(hsorttype)
2859	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2860	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2861
2862	#---- Global mode menu button
2863	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2864	-label "Global mode"
2865	menu $expgui(fm).option.menu.editmode
2866	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2867	-variable expgui(globalmode) -underline 0 -value 0\
2868	-command sethistlist
2869	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2870	-variable expgui(globalmode) -underline 0 -value 6 \
2871	-command sethistlist
2872	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2873	-variable expgui(globalmode) -underline 0 -value 1 \
2874	-command sethistlist
2875	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2876	-variable expgui(globalmode) -underline 0 -value 2 \
2877	-command sethistlist
2878	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2879	-variable expgui(globalmode) -underline 0 -value 3 \
2880	-command sethistlist
2881	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2882	-variable expgui(globalmode) -underline 0 -value 4 \
2883	-command sethistlist
2884	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2885	-variable expgui(globalmode) -underline 0 -value 5 \
2886	-command sethistlist
2887	set expgui(globalmode) 0
2888
2889	if {$tcl_platform(platform) != "windows"} {
2890	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2891	-variable env(GSASBACKSPACE)
2892	}
2893
2894	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2895
2896	foreach menu $expgui(menunames) {
2897	set m [string tolower $menu]
2898	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2899	-menu $expgui(fm).$m.menu] -side left
2900	menu $expgui(fm).$m.menu
2901	}
2902	pack $expgui(fm).help -side right -in $expgui(fm)
2903
2904	# add the commands in expgui_menulist
2905	foreach menu [array names expgui_menulist ] {
2906	foreach cmd $expgui_menulist($menu) {
2907	set action {}
2908	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2909	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2910	if {$action != "" && $action != "-"} {
2911	eval $expgui(fm).$menu.menu add command \
2912	-label $cmd -command [list [subst $action]]
2913	}
2914	}
2915	}
2916	# setup command help
2917	foreach cmd [array names expgui_cmdlist] {
2918	set help {}
2919	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2920	if {$help == ""} {
2921	if {$expgui(debug)} {puts "no help for $cmd"}
2922	} else {
2923	# remove
2924	regsub -all \x09 $help " " help
2925	# preserve blank lines
2926	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2927	regsub -all \x0A $help " " help
2928	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2929	regsub -all " +" $help " " help
2930	set expgui_helplist($cmd) [string trim $help]
2931	}
2932	}
2933	# set up button bar
2934	foreach cmd $expgui(buttonlist) {
2935	set action {}
2936	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2937	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2938	if {$action != ""} {
2939	pack [eval button .bar.$cmd -bg beige \
2940	-text $cmd -command [list [subst $action]]] -side left
2941	}
2942	}
2943
2944	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2945	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2946
2947
2948	# handle indirect exits
2949	wm protocol . WM_DELETE_WINDOW catchQuit
2950	bind . <Control-c> catchQuit
2951
2952	loadexp $expgui(expfile)

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