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source: trunk/expgui @ 19

Last change on this file since 19 was 16, checked in by toby, 13 years ago
# on 1999/01/01 18:34:49, toby did: add tcl_version < 8.0 error add history display & tracking update title when modified move lsPage to 1st page change option menu name & merge in Global mode menu add loop to flag external changes to current exp file (afterawhile & whenidle) move Archive Exp to options
Property rcs:author set to `toby` Property rcs:date set to `1999/01/01 18:34:49` Property rcs:lines set to `+136 -65` Property rcs:rev set to `1.4` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 100.5 KB

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

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