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source: trunk/expgui @ 14

Last change on this file since 14 was 14, checked in by toby, 13 years ago
# on 1998/12/31 13:10:07, toby did: move scale to "scaling" (prev phase frac) page add scroll bar to phase fractions rename archiveexp to savearchiveexp move "set expgui(changed) 0" to savearchiveexp
Property rcs:author set to `toby` Property rcs:date set to `1998/12/31 13:10:07` Property rcs:lines set to `+122 -67` Property rcs:rev set to `1.3` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 97.9 KB

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

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