Context Navigation

source: trunk/expgui @ 28

Last change on this file since 28 was 28, checked in by toby, 14 years ago
# on 1999/01/13 05:02:47, toby did: redo loadexp so that page does not change on reload Add SaveOptions?
Property rcs:author set to `toby` Property rcs:date set to `1999/01/13 05:02:47` Property rcs:lines set to `+59 -37` Property rcs:rev set to `1.7` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 107.2 KB

Line
1	#!/usr/local/bin/wish
2	set expgui(Revision) {$Revision: 28 $ $Date: 2009-12-04 22:59:10 +0000 (Fri, 04 Dec 2009) $}
3
4	# to do:
5	#
6	# new file menu box w/sort by that allows for new .EXP names
7	#
8	# global background editing & profile work differently: should both
9	# start out blank with a "load from option"?
10	#
11	# idea:
12	# a scroll list for all histogram refinement flags ; click on takes you to the
13	# appropriate menu.
14	#
15	# to allow "global" access on phase page
16	# change buttons from radio to multiple
17	# -- or display all 9 cell flag/damps and all atoms
18	# make editMultipleRecords work with multiple phases, also cell flag/damp
19	# blank cell entries
20	# add phase to atom number in listing
21	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
22
23	if {$tcl_version < 8.0} {
24	tk_dialog .expFileErrorMsg "Version Error" \
25	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
26	exit
27	}
28
29	if {$argv != ""} {
30	set expgui(expfile) [lindex $argv 0]
31	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
32	append expgui(expfile) ".EXP"
33	}
34	} else {
35	# windows needs this update or focus gets screwed up after tk_getOpenFile
36	update
37	set expgui(expfile) [tk_getOpenFile -defaultextension .EXP \
38	-filetypes {{"GSAS Experiment" ".EXP"}} -parent .]
39	}
40	if {$expgui(expfile) == ""} exit
41
42	set expgui(debug) 0
43	catch {if $env(DEBUG) {set expgui(debug) 1}}
44	#set expgui(debug) 1
45
46	set expgui(havetix) 1
47	# for debugging non-Tix version set environment variable NOTIX
48	catch {if $env(NOTIX) {set expgui(havetix) 0}}
49	if $expgui(havetix) {
50	if [catch {package require Tix}] {set expgui(havetix) 0}
51	}
52	# default is archive = on
53	set expgui(archive) 1
54	# save the name of the wish executable
55	set wishshell [info nameofexecutable]
56	# misc constants
57	set expgui(coordfont) "--courier-bold-r-normal--12-"
58	set expgui(histfont) "--courier-bold-r-normal--12-"
59	set liveplot(hst) 1
60	set liveplot(legend) 1
61
62	#=============================================================================
63	# Store names of profile terms.
64	array set expgui {
65	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
66	sig-2 rsca s1ec s2ec }
67	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
68	gam-2 switch ptec stec difc difa zero }
69	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
70	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
71	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
72	rstr rsta rsca eta}
73	prof-C-1 {CW-type U V W asym F1 F2 }
74	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
75	L11 L22 L33 L12 L13 L23 }
76	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
77	L11 L22 L33 L12 L13 L23 }
78	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
79	}
80	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
81	#----------------------------------------------------------------
82	# where are we?
83	set expgui(script) [info script]
84	# translate links -- go six levels deep
85	foreach i {1 2 3 4 5 6} {
86	if {[file type $expgui(script)] == "link"} {
87	set link [file readlink $expgui(script)]
88	if { [file pathtype $link] == "absolute" } {
89	h set expgui(script) $link
90	} {
91	set expgui(script) [file dirname $expgui(script)]/$link
92	}
93	} else {
94	break
95	}
96	}
97	# fixup relative paths
98	if {[file pathtype $expgui(script)] == "relative"} {
99	set expgui(script) [file join [pwd] $expgui(script)]
100	}
101	set expgui(scriptdir) [file dirname $expgui(script) ]
102	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
103	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
104	catch {cd [string trim [file dirname $expgui(expfile)]]}
105	#----------------------------------------------------------------
106	# fetch EXP file processing routines
107	source [file join $expgui(scriptdir) readexp.tcl]
108	# commands for running GSAS programs
109	source [file join $expgui(scriptdir) gsascmds.tcl]
110	# contents of GSAS menus
111	source [file join $expgui(scriptdir) gsasmenu.tcl]
112	#---------------------------------------------------------------------------
113	# override options with locally defined values
114	if [file exists [file join $expgui(scriptdir) localconfig]] {
115	source [file join $expgui(scriptdir) localconfig]
116	}
117	if [file exists [file join ~ .gsas_config]] {
118	source [file join ~ .gsas_config]
119	}
120	#---------------------------------------------------------------------------
121	if ![file exists $expgui(expfile)] {
122	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
123	"File $expgui(expfile) does not exist" error 0 "Exit" "Create"]
124	if $ans {
125	# create an "empty" exp file
126	createexp $expgui(expfile) \
127	[getstring "title for experiment $expgui(expfile)" 60 0]
128	} else {
129	exit
130	}
131	}
132
133	#
134	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
135	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
136	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
137	# load exp file and set up dialogs
138	proc loadexp {expfile} {
139	global expgui expmap entryvar entrycmd
140	global exparray
141	catch {
142	unset exparray
143	}
144	expload $expfile
145	set expgui(changed) 0
146	mapexp
147	set expgui(expModifiedLast) [file mtime $expfile]
148	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
149	# set the window/icon title
150	wm title . $expfile
151	set expgui(titleunchanged) 1
152	wm iconname . [file tail $expfile]
153
154	# set the number of phases on the phase page
155	setphases
156
157	# disable the "global options" that don't make sense based
158	# on the histograms present
159	foreach num {1 2 3 4 5} {
160	set flag($num) 0
161	}
162	foreach h $expmap(powderlist) {
163	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
164	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
165	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
166	[histinfo $h lam2] != 0.0} {set flag(3) 1}
167	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
168	[histinfo $h lam2] == 0.0} {set flag(4) 1}
169	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
170	}
171	foreach num {1 2 3 4 5} \
172	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
173	"Energy Disp Xray"} {
174	if $flag($num) {
175	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
176	} else {
177	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
178	}
179	}
180	# disable traces on entryvar until we are ready
181	set entrycmd(trace) 0
182
183	# propogate changes on the least squares page
184	set entryvar(cycles) [expinfo cycles]
185	set entrycmd(cycles) "expinfo cycles"
186	set expgui(globalmode) 0
187	set expgui(printopt) "Print Options ([expinfo print])"
188	set entryvar(title) [expinfo title]
189	global printopts
190	foreach num [array names printopts] {
191	set entrycmd(printopt$num) "printsetting $num"
192	set entryvar(printopt$num) [printsetting $num]
193	}
194	# enable traces on entryvar
195	set entrycmd(trace) 1
196	# set fo extaction on LS page
197	SetupExtractHist
198
199	# update the histogram list
200	sethistlist
201
202	# start checking for external changes
203	afterawhile
204	}
205
206	# called to reread the .EXP file -- use after another program
207	# has changed the experiment file
208	proc rereadexp {expfile} {
209	global expgui
210	if $expgui(changed) {
211	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
212	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
213	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
214	switch $decision {
215	0 { savearchiveexp }
216	1 { }
217	2 { return }
218	}
219	}
220	loadexp $expgui(expfile)
221	}
222
223	proc CreateNewExp {} {
224	global expgui
225	set newexpfile [newexp]
226	if {$newexpfile == ""} return
227	# create an "empty" exp file
228	createexp $newexpfile \
229	[getstring "title for experiment $newexpfile" 60 0]
230	set expgui(expfile) $newexpfile
231	catch {cd [string trim [file dirname $expgui(expfile)]]}
232	loadexp $expgui(expfile)
233	}
234
235	proc SaveAsFile {} {
236	global expgui
237	set newexpfile [tk_getSaveFile -defaultextension .EXP \
238	-filetypes {{"GSAS Experiment" ".EXP"}} -parent . \
239	-initialdir [file dirname $expgui(expfile)] \
240	-initialfile [file tail $expgui(expfile)] ]
241	if {$newexpfile == ""} return
242	set expgui(expfile) $newexpfile
243	catch {cd [string trim [file dirname $expgui(expfile)]]}
244	expwrite $expgui(expfile)
245	set expgui(changed) 0
246	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
247	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
248	# set the window/icon title
249	wm title . $expgui(expfile)
250	set expgui(titleunchanged) 1
251	wm iconname . [file tail $expgui(expfile)]
252	}
253
254	# called to read a different .EXP file
255	proc readnewexp {} {
256	global expgui
257	if $expgui(changed) {
258	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
259	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
260	{} 0 "Save and read" "Read without Save" "Cancel read command"]
261	switch $decision {
262	0 { savearchiveexp }
263	1 { }
264	2 { return }
265	}
266	}
267	set newexpfile [tk_getOpenFile -defaultextension .EXP \
268	-filetypes {{"GSAS Experiment" ".EXP"}} -parent . \
269	-initialdir [file dirname $expgui(expfile)] ]
270	if {$newexpfile == ""} return
271	set expgui(expfile) $newexpfile
272	catch {cd [string trim [file dirname $expgui(expfile)]]}
273	loadexp $expgui(expfile)
274	}
275
276	#------------- set up data read/write layer ----------------------
277	# trace routine on entryvar
278	proc entvartrace {array elem action} {
279	global expgui entrycmd entryvar
280	if !$entrycmd(trace) return
281
282	catch {
283	if {$entrycmd($elem) == ""} return
284	incr expgui(changed)
285	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
286	if {$entrycmd($elem) == ""} return
287	if [catch {
288	eval $entrycmd($elem) set [list $entryvar($elem)]
289	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
290	after idle {DisplayAllAtoms noreset}
291	}
292	} errmsg] {puts "entvartrace error: $errmsg"}
293	}
294	}
295
296	# disable traces on entryvar until we are ready
297	set entrycmd(trace) 0
298	trace variable entryvar w entvartrace
299
300	#
301	#
302	#
303	##############################################################################
304	##### #####################################################
305	##### PROCEDURES SECTION #####################################################
306	##### #####################################################
307	##############################################################################
308	# reset routine is used for debugging
309	proc reset {} {
310	global expgui script argv
311	set script $expgui(script)
312	set argv $expgui(expfile)
313	# remove traces
314	global entryvar
315	foreach cmd [trace vinfo entryvar] {
316	eval trace vdelete entryvar $cmd
317	}
318	global expgui
319	foreach cmd [trace vinfo expgui(backterms)] {
320	eval trace vdelete entryvar $cmd
321	}
322	foreach cmd [trace vinfo expgui(backtype)] {
323	eval trace vdelete entryvar $cmd
324	}
325	foreach a {
326	exparray expmap expgui entryvar entrycmd
327	expgui_menulist expgui_cmdlist expgui_helplist
328	} {
329	global $a
330	catch {unset $a}
331	}
332	foreach w [winfo children .] {
333	destroy $w
334	}
335
336	uplevel #0 {source $script}
337	}
338
339	# save some of the global options in ~/.gsas_config
340	proc SaveOptions {} {
341	global expgui env tcl_platform
342	set fp [open [file join ~ .gsas_config] a]
343	puts $fp "set expgui(archive) $expgui(archive)"
344	puts $fp "set expgui(asorttype) $expgui(asorttype)"
345	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
346	if {$tcl_platform(platform) != "windows"} {
347	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
348	}
349	close $fp
350	}
351
352	proc About { } {
353	global expgui expmap
354	tk_dialog .about {About...} \
355	"EXPGUI\n\
356	Jonathan Wasserman and Brian Toby\n\
357	NIST Center for Neutron Research\n\n\
358	1998, Not subject to copyright\n\n\
359	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
360	Generalized Structure Analysis System (GSAS)\n\
361	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
362	" \
363	info 0 OK
364	}
365
366	# wait until idle
367	proc afterawhile {} {
368	# cancel any other instances of this loop
369	after cancel afterawhile
370	after cancel whenidle
371	after cancel whenidle
372	after idle whenidle
373	}
374
375	proc whenidle {} {
376	global expgui
377	if $expgui(titleunchanged) {
378	if {$expgui(changed) != 0} {
379	wm title . "$expgui(expfile) (modified)"
380	set expgui(titleunchanged) 0
381	}
382	}
383	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
384	if {$expgui(changed) == 0} {
385	set ans [tk_dialog .expFileErrorMsg "Reload?" \
386	"File $expgui(expfile) has been modified by another program. \
387	Do you want to load the newer version or loose the modifications \
388	by editing the current version?" \
389	warning 0 "Load new" "Continue editing"]
390	} else {
391	set ans [tk_dialog .expFileErrorMsg "Reload?" \
392	"File $expgui(expfile) has been modified by another program \
393	and you have made $expgui(changed) changes to this version. \
394	Do you want to load the newer version or loose the modifications \
395	by continuing to edit the current version?" \
396	warning 0 "Load new" "Continue editing" "Save edited version"]
397	}
398	if {$ans == 0} {
399	loadexp $expgui(expfile)
400	} elseif {$ans == 1} {
401	# reset the time to the next version
402	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
403	} elseif {$ans == 2} {
404	savearchiveexp
405	}
406	}
407	after 2000 afterawhile
408	}
409	# -------- called to confirm before exiting
410	proc catchQuit {} {
411	if {[confirmBeforeSave] == "Continue"} {
412	destroy .
413	}
414	}
415	# save the .EXP file before exiting?
416	proc confirmBeforeSave {} {
417	global expgui
418	if !$expgui(changed) {
419	return "Continue"
420	}
421	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
422	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
423	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
424	switch $decision {
425	0 { savearchiveexp; return "Continue" }
426	1 { return "Continue" }
427	2 { return "Cancel" }
428	}
429	}
430
431	proc archiveexp {} {
432	global expgui tcl_platform
433	catch {
434	set expnam [file rootname $expgui(expfile)]
435	if {$tcl_platform(platform) == "windows"} {
436	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
437	# archive w/o pkzip
438	set files [glob -nocomplain ${expnam}!*.exp]
439	if {$files == ""} {
440	set num -1
441	} else {
442	set file [lindex [lsort -decreasing $files] 0]
443	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
444	}
445	set file $expnam![format "%3.3d" [incr num]].EXP
446	file copy $expnam.EXP $file
447	set fp [open $expnam.lst a]
448	puts $fp "\n--------------------------------------------------------------"
449	puts $fp "Archiving $expnam.EXP as $file"
450	puts $fp "--------------------------------------------------------------\n"
451	close $fp
452	} else {
453	# archive with PKZIP
454	# need to limit expnam to 8 characters
455	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
456	# PKZIP can't handle long dir names either
457	cd [set dir [file dirname $expnam]]
458	set num -1
459	# get the versions from the listing
460	if [file exists $sexp.zip] {
461	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
462	while {[gets $fp line] >= 0} {
463	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
464	catch {if {$n > $num} {set num $n}}
465	}
466	close $fp
467	}
468	incr num
469	set file $sexp.[format "%3.3d" $num]
470	file copy -force $expnam.EXP $file
471	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
472	set fp [open $expnam.lst a]
473	puts $fp "\n--------------------------------------------------------------"
474	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
475	puts $fp "--------------------------------------------------------------\n"
476	close $fp
477	}
478	} else {
479	set files [glob -nocomplain $expnam.EXP.*]
480	if {$files == ""} {
481	set file $expnam.EXP.000
482	} else {
483	set file [lindex [lsort -decreasing $files] 0]
484	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
485	incr number
486	set file $expnam.EXP.[format "%3.3d" $number]
487	}
488	exec cp $expgui(expfile) $file
489	if [catch {exec gzip $file}] {
490	exec echo "\n----------------------------------------------" >> $expnam.LST
491	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
492	exec echo "----------------------------------------------\n" >> $expnam.LST
493	} else {
494	exec echo "\n----------------------------------------------" >> $expnam.LST
495	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
496	exec echo "----------------------------------------------\n" >> $expnam.LST
497	}
498	}
499	} errmsg
500	if {$errmsg != ""} {
501	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
502	}
503	}
504
505	# save and optionally archive the expfile
506	proc savearchiveexp {} {
507	global expgui expmap
508	if !$expgui(changed) return
509	if $expgui(archive) archiveexp
510	# add a history record
511	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
512	# now save the file
513	expwrite $expgui(expfile)
514	set expgui(changed) 0
515	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
516	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
517	wm title . $expgui(expfile)
518	set expgui(titleunchanged) 1
519	}
520
521	# set the number of phases on the phase page
522	proc setphases {} {
523	global expgui expmap
524	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
525	foreach num $expmap(phaselist) {
526	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
527	-command "SelectOnePhase $num"] -side left
528	}
529	}
530
531	# Procedure to respond to changes the phase.
532	# This loads the "phases" widgets with data corresponding to the selected phase.
533	proc SelectOnePhase {num} {
534	global entryvar entrycmd expmap expgui
535	foreach n $expmap(phaselist) {
536	if {$n == $num} {
537	$expgui(phaseFrame).top.ps.$num config -relief sunken
538	} else {
539	$expgui(phaseFrame).top.ps.$n config -relief raised
540	}
541	}
542	set crsPhase $num
543	# no phase is selected
544	if {$crsPhase == ""} {
545	# disable traces on entryvar
546	set entrycmd(trace) 0
547	set entrycmd(phasename) ""
548	set entryvar(phasename) ""
549	foreach ent {a b c alpha beta gamma cellref celldamp} {
550	set entrycmd($ent) ""
551	set entryvar($ent) ""
552	}
553	# enable traces on entryvar
554	set entrycmd(trace) 1
555	return
556	}
557
558	set expgui(curPhase) $crsPhase
559	# we have a phase
560
561	# disable traces on entryvar for right now
562	set entrycmd(trace) 0
563
564	##########################################################
565	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
566	##########################################################
567	# phase title
568	set entrycmd(phasename) "phaseinfo $crsPhase name"
569	set entryvar(phasename) [phaseinfo $crsPhase name]
570	# cell parameters & flags
571	foreach ent {a b c alpha beta gamma cellref celldamp} {
572	set entrycmd($ent) "phaseinfo $crsPhase $ent"
573	set entryvar($ent) [phaseinfo $crsPhase $ent]
574	}
575
576	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
577	# initialize to diasbled
578	DisplayAtom 0 0
579	DisplayU 0 0
580	DisplayRefFlags 0 0
581	$expgui(EditingAtoms) config -text ""
582
583	DisplayAllAtoms
584
585	# enable traces on entryvar now
586	set entrycmd(trace) 1
587	}
588
589	set expgui(noreenterDisplayAllAtoms) 0
590	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
591	proc DisplayAllAtoms {"mode reset"} {
592	global entryvar entrycmd expmap expgui
593	# if it does not show, dont bother
594	if {$expgui(pagenow) != "phaseFrame"} return
595	if {$expgui(curPhase) == ""} return
596	if $expgui(noreenterDisplayAllAtoms) return
597
598	set expgui(noreenterDisplayAllAtoms) 1
599	if {$mode != "reset"} {
600	set selectlist [$expgui(atomlistbox) curselection]
601	set pos [lindex [$expgui(atomlistbox) yview] 0]
602	}
603	$expgui(atomlistbox) delete 0 end
604	# loop over atoms
605	set maxline I
606	set phase $expgui(curPhase)
607	set atomlist {}
608	if {$expgui(asorttype) == "type"} {
609	# sort on atom type
610	foreach atom $expmap(atomlist_$phase) {
611	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
612	}
613	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
614	} elseif {$expgui(asorttype) == "number"} {
615	# sort on atom number
616	foreach atom $expmap(atomlist_$phase) {
617	lappend atomlist "$atom $atom $phase"
618	}
619	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
620	} elseif {$expgui(asorttype) == "x"} {
621	# sort on x
622	foreach atom $expmap(atomlist_$phase) {
623	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
624	}
625	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
626	} elseif {$expgui(asorttype) == "y"} {
627	# sort on y
628	foreach atom $expmap(atomlist_$phase) {
629	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
630	}
631	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
632	} elseif {$expgui(asorttype) == "z"} {
633	# sort on z
634	foreach atom $expmap(atomlist_$phase) {
635	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
636	}
637	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
638	} else {
639	error "Bad expgui(asorttype = $expgui(asorttype)"
640	}
641
642	foreach tuple $expmap(atomlistboxcontents) {
643	set atom [lindex $tuple 0]
644	set phase [lindex $tuple 2]
645	set refflag {}
646	foreach type {x u f} {
647	if {[atominfo $phase $atom ${type}ref]} {
648	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
649	} else {
650	append refflag " [atominfo $phase $atom ${type}damp] "
651	}
652	}
653	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
654	$atom \
655	[atominfo $phase $atom label] \
656	[atominfo $phase $atom type] \
657	$refflag \
658	[atominfo $phase $atom x] \
659	[atominfo $phase $atom y] \
660	[atominfo $phase $atom z] \
661	[atominfo $phase $atom frac]
662	]
663	# add temperature factors (iso/anoiso)
664	if {[atominfo $phase $atom temptype] == "A"} {
665	set maxline A
666	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
667	[atominfo $phase $atom U11] \
668	[atominfo $phase $atom U22] \
669	[atominfo $phase $atom U33] \
670	[atominfo $phase $atom U12] \
671	[atominfo $phase $atom U23] \
672	[atominfo $phase $atom U13]
673	]
674	} else {
675	append line [format " %9.5f" \
676	[atominfo $phase $atom Uiso]
677	]
678	}
679	$expgui(atomlistbox) insert end $line
680	}
681	$expgui(atomtitle) delete 0 end
682	if {$maxline == "A"} {
683	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
684	" name " "type " "ref/damp " "fractional coordinates " \
685	" Occupancy" \
686	"Uiso/Uij "]
687	} else {
688	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
689	" name " "type " "ref/damp " "fractional coordinates " \
690	" Occupancy" \
691	"Uiso"]
692	}
693	if {$mode != "reset"} {
694	foreach i $selectlist {
695	$expgui(atomlistbox) selection set $i
696	$expgui(atomlistbox) yview moveto $pos
697	}
698	}
699	set expgui(noreenterDisplayAllAtoms) 0
700	}
701
702	# Procedure to select all atoms in response to a right-click
703	proc SelectAllAtoms {} {
704	global expgui
705	$expgui(atomlistbox) selection set 0 end
706	# just in case this was called at the wrong time:
707	editRecord
708	}
709
710	# Procedure to respond to left mouse release in the atoms Pane
711	proc editRecord { args } {
712	global entrycmd expgui
713	set selectIndex [$expgui(atomlistbox) curselection]
714	# disable traces on entryvar for right now
715	set entrycmd(trace) 0
716
717	if {[llength $selectIndex] == 0} {
718	puts "How did this happen: [$expgui(atomlistbox) curselection]"
719	} elseif {[llength $selectIndex] == 1} {
720	editOneRecord $selectIndex
721	} else {
722	editMultipleRecords $selectIndex
723	}
724	# reenable traces on entryvar
725	set entrycmd(trace) 1
726	# repaint the atoms box in case anything was changed
727	# DisplayAllAtoms noreset
728	}
729
730	proc editOneRecord { AtomIndex } {
731	global expmap expgui
732	# get atom number & phase
733	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
734	set atomnum [lindex $tuple 0]
735	set p [lindex $tuple 2]
736	DisplayU $atomnum $p
737	DisplayAtom $atomnum $p
738	DisplayRefFlags $atomnum $p
739	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
740	}
741
742	# this will not work for a multi-phase list of atoms (yet)
743	proc editMultipleRecords { AtomIndexList } {
744	global expmap expgui
745	set numberList {}
746	# current phase
747	set p $expgui(curPhase)
748	foreach AtomIndex $AtomIndexList {
749	# get atom number & phase
750	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
751	lappend numberList [lindex $tuple 0]
752	# set p [lindex $tuple 2]
753	}
754	# this needs to track by phase
755	$expgui(EditingAtoms) config -text \
756	"Set refinement options: atoms [CompressList $numberList]"
757	DisplayU 0 0
758	DisplayAtom 0 0
759	# this needs to track by phase
760	DisplayRefFlags $numberList $p
761	}
762
763	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
764	# becomes "1-4,6,7,13-15,19"
765	proc CompressList {numberList} {
766	# format the number list to save space
767	set lastnum -99
768	set flist {}
769	set count 0
770	foreach num [lsort -integer $numberList] {
771	set next [expr $lastnum+1]
772	if {$num != $next} {
773	if {$count == 0 && $flist != ""} {
774	append flist ",$num"
775	} elseif {$count == 1 && $flist != ""} {
776	append flist ",$lastnum,$num"
777	} elseif {$flist != ""} {
778	append flist "-$lastnum,$num"
779	} else {
780	append flist "$num"
781	}
782	set lastnum $num
783	set count 0
784	} else {
785	incr count
786	incr lastnum
787	}
788	}
789	if {$count == 1 && $flist != ""} {
790	append flist ",$lastnum"
791	} elseif {$flist != "" && $count > 1} {
792	append flist "-$lastnum"
793	}
794	return $flist
795	}
796
797	# Procedure to display Isotropic or Anisotropic temperature factors
798	# Changes the display to one entry widget for Isotropic motion OR
799	# 6 entry widgets for Anisotropic motion in Frame3.
800	# or disables the widet entirly if atom = 0
801	proc DisplayU { atomnum p} {
802	global expgui entryvar entrycmd
803	if {$atomnum == 0} {
804	set iOrA disable
805	} else {
806	set iOrA [atominfo $p $atomnum temptype]
807	}
808
809	set firstbox [lindex $expgui(anisolabels) 0]
810	if { $iOrA == "A" } {
811	$firstbox config -text "U11 "
812	foreach item $expgui(anisolabels) {
813	$item config -fg black
814	}
815	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
816	set entrycmd($var) "atominfo $p $atomnum $var"
817	set entryvar($var) [eval $entrycmd($var)]
818	$item config -fg black -state normal -bg white
819	}
820	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
821	foreach item $expgui(anisolabels) {
822	# $item config -fg grey
823	$item config -fg beige
824	}
825	foreach item [lrange $expgui(anisoentry) 1 end] \
826	var {U22 U33 U12 U13 U23} {
827	set entrycmd($var) ""
828	set entryvar($var) ""
829	$item config -fg beige -bg beige -state disabled
830	}
831	if { $iOrA == "disable"} {
832	set entrycmd($var) ""
833	set entryvar($var) ""
834	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
835	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
836	} else {
837	set entrycmd(U11) "atominfo $p $atomnum Uiso"
838	set entryvar(U11) [eval $entrycmd(U11)]
839	$firstbox config -text Uiso -fg black
840	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
841	}
842	}
843	}
844
845	# need to think about multiple phases
846
847	# Procedure to display refinement flags
848	proc DisplayRefFlags { atomnum p} {
849	global expgui entryvar entrycmd
850	if {$atomnum == 0} {
851	foreach label $expgui(atomreflbl) {
852	$label config -fg beige
853	}
854	foreach entry $expgui(atomref) {
855	$entry config -state disabled -fg beige -bg beige
856	}
857	return
858	}
859	foreach label $expgui(atomreflbl) {
860	$label config -fg black
861	}
862	foreach entry $expgui(atomref) {
863	$entry config -state normal -fg black -bg beige
864	}
865	foreach var {xref uref fref xdamp udamp fdamp} {
866	set entrycmd($var) "atominfo $p [list $atomnum] $var"
867	set entryvar($var) [eval $entrycmd($var)]
868	}
869	}
870
871	# Procedure to display an atom in the atom edit boxes
872	proc DisplayAtom { atomnum p} {
873	global expgui entryvar entrycmd
874	if {$atomnum == 0} {
875	foreach label $expgui(atomlabels) {
876	$label config -fg beige
877	}
878	foreach entry $expgui(atomentry) {
879	$entry config -state disabled -fg beige -bg beige
880	}
881	return
882	}
883	foreach label $expgui(atomlabels) {
884	$label config -fg black
885	}
886	foreach entry $expgui(atomentry) {
887	$entry config -state normal -fg black -bg white
888	}
889	foreach var {x y z label frac } {
890	set entrycmd($var) "atominfo $p $atomnum $var"
891	set entryvar($var) [eval $entrycmd($var)]
892	}
893	}
894
895	# update the histogram list
896	# to do: show histogram ref flags?
897	proc sethistlist {} {
898	global expgui expmap
899	foreach lbox $expgui(HistSelectList) {
900	$lbox.title delete 0 end
901	$lbox.lbox delete 0 end
902	if {$expgui(globalmode) != 0} {
903	$lbox.lbox config -selectmode extended
904	} else {
905	$lbox.lbox config -selectmode browse
906	}
907	}
908	# disable the unallowed pages in all mode
909	if {$expgui(globalmode) == 6} {
910	foreach pair $expgui(GlobalModeAllDisable) {
911	if {$expgui(pagenow) == [lindex $pair 0]} {
912	if !$expgui(havetix) {
913	RaisePage lsFrame
914	} else {
915	.n raise lsPane
916	set expgui(pagenow) lsFrame
917	}
918	}
919	eval [lindex $pair 1] -state disabled
920	}
921	} else {
922	foreach pair $expgui(GlobalModeAllDisable) {
923	eval [lindex $pair 1] -state normal
924	}
925	}
926	set histlist {}
927	if {$expgui(hsorttype) == "type"} {
928	# sort on histogram type
929	foreach h [lsort -integer -increasing $expmap(powderlist)] {
930	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
931	}
932	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
933	} elseif {$expgui(hsorttype) == "number"} {
934	# sort on histogram number
935	foreach h [lsort -integer -increasing $expmap(powderlist)] {
936	lappend histlist "$h $h"
937	}
938	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
939	} elseif {$expgui(hsorttype) == "bank"} {
940	# sort on original bank number
941	foreach h [lsort -integer -increasing $expmap(powderlist)] {
942	lappend histlist "$h [histinfo $h bank]"
943	}
944	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
945	} elseif {$expgui(hsorttype) == "angle"} {
946	# sort on wavelength (CW) or angle (E disp.)
947	foreach h [lsort -integer -increasing $expmap(powderlist)] {
948	if {[string range $expmap(htype_$h) 2 2] == "T"} {
949	set det [format %8.2f [histinfo $h tofangle]]
950	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
951	set det [format %8.5f [histinfo $h lam1]]
952	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
953	set det [format %8.2f [histinfo $h lam1]]
954	} else {
955	set det {}
956	}
957	lappend histlist "$h $det"
958	}
959	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
960	}
961
962	# title field needs to match longest title
963	foreach lbox $expgui(HistSelectList) {
964	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
965	"h#" \
966	type \
967	bank \
968	"ang/wave" \
969	" title" \
970	]
971	}
972	foreach tuple $expmap(histlistboxcontents) {
973	set h [lindex $tuple 0]
974
975	if {$expgui(globalmode) == 1} {
976	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
977	} elseif {$expgui(globalmode) == 2} {
978	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
979	} elseif {$expgui(globalmode) == 3} {
980	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
981	[histinfo $h lam2] == 0.0} continue
982	} elseif {$expgui(globalmode) == 4} {
983	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
984	[histinfo $h lam2] != 0.0} continue
985	} elseif {$expgui(globalmode) == 5} {
986	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
987	}
988
989	if {[string range $expmap(htype_$h) 2 2] == "T"} {
990	set det [format %8.2f [histinfo $h tofangle]]
991	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
992	set det [format %8.5f [histinfo $h lam1]]
993	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
994	set det [format %8.2f [histinfo $h lam1]]
995	} else {
996	set det {}
997	}
998	foreach lbox $expgui(HistSelectList) {
999	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1000	$h \
1001	[string range $expmap(htype_$h) 1 2] \
1002	[histinfo $h bank] \
1003	$det \
1004	[string range [histinfo $h title] 0 66] \
1005	]
1006	}
1007	}
1008	foreach set $expgui(frameactionlist) {
1009	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1010	}
1011	}
1012
1013	#-----------------------------------------------------------------------
1014	# ----------- draw Histogram page
1015	#-----------------------------------------------------------------------
1016	proc DisplayHistogram {} {
1017	global expgui entrycmd entryvar expmap
1018
1019	# display the selected histograms
1020	$expgui(histFrame).hs.lbox selection clear 0 end
1021	foreach h $expgui(curhist) {
1022	$expgui(histFrame).hs.lbox selection set $h
1023	}
1024
1025	# disable traces on entryvar for right now
1026	set entrycmd(trace) 0
1027
1028	# get histogram list
1029	set histlist {}
1030	foreach item $expgui(curhist) {
1031	lappend histlist [lindex $expmap(powderlist) $item]
1032	}
1033	# must have at least one histogram selected here
1034	if {[llength $histlist] == 0} {
1035	set expgui(backtermlbl) ""
1036	set expgui(backtypelbl) ""
1037	foreach var {bref bdamp} {
1038	set entrycmd($var) ""
1039	set entryvar($var) ""
1040	}
1041	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1042	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1043	set expgui(bkglbl) ""
1044	eval destroy [grid slaves $expgui(diffBox)]
1045	set entrycmd(trace) 1
1046	return
1047	}
1048
1049	if {$expgui(globalmode) != 0} {
1050	set expgui(backtermlbl) ""
1051	set expgui(backtypelbl) ""
1052	foreach var {bref bdamp} {
1053	set entrycmd($var) "histinfo [list $histlist] $var"
1054	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1055	}
1056	} else {
1057	set hist $histlist
1058	set terms [histinfo $hist backterms]
1059	set expgui(backtermlbl) "($terms terms)"
1060	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1061	foreach var {bref bdamp} {
1062	set entrycmd($var) "histinfo $hist $var"
1063	set entryvar($var) [eval $entrycmd($var)]
1064	}
1065	}
1066	# Top box
1067	if {$expgui(globalmode) != 0} {
1068	$expgui(histFrame).top.txt config \
1069	-text "Selected Histograms: [CompressList $histlist]"
1070	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1071	set expgui(bkglbl) "Globally Edit Background"
1072	} else {
1073	grid forget $expgui(histFrame).top
1074	set expgui(bkglbl) "Edit Background"
1075	}
1076
1077	# diffractometer constants
1078	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1079	wref pref dcref daref ratref ttref zref } {
1080	set entrycmd($var) "histinfo [list $histlist] $var"
1081	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1082	}
1083
1084	eval destroy [grid slaves $expgui(diffBox)]
1085	if {$expgui(globalmode) == 0} {
1086	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1087	#------
1088	# TOF \|
1089	#------
1090	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1091	-column 1 -row 1
1092	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1093	-column 2 -row 1
1094	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1095	-column 3 -row 1 -sticky w
1096	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1097	-width 15 ] -column 4 -row 1
1098	#
1099	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1100	-column 1 -row 2
1101	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1102	-column 2 -row 2
1103	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1104	-column 3 -row 2
1105	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1106	-width 15 ] -column 4 -row 2
1107	#
1108	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1109	-column 3 -row 3
1110	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1111	-width 15 ] -column 4 -row 3
1112	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1113	-column 1 -row 3 -sticky w
1114	grid [ checkbutton $expgui(diffBox).rfDCzref \
1115	-variable entryvar(zref) ] -column 2 -row 3
1116	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1117	#---------------
1118	# CW - neutron \|
1119	#---------------
1120	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1121	-column 1 -row 1
1122	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1123	-column 2 -row 1
1124	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1125	-column 3 -row 1 -sticky w
1126	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1127	-width 15 ] -column 4 -row 1
1128	#
1129	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1130	-column 1 -row 3 -sticky w
1131	grid [ checkbutton $expgui(diffBox).rfDCzref \
1132	-variable entryvar(zref) ] -column 2 -row 3
1133	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1134	-column 3 -row 3
1135	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1136	-width 15 ] -column 4 -row 3
1137	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1138	[histinfo $hist lam2] == 0.0} {
1139	#--------------------------
1140	# CW - x-ray 1 wavelength \|
1141	#--------------------------
1142	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1143	-column 1 -row 1
1144	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1145	-column 2 -row 1
1146	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1147	-column 3 -row 1 -sticky w
1148	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1149	-width 15 ] -column 4 -row 1
1150	#
1151	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1152	-column 1 -row 3 -sticky w
1153	grid [ checkbutton $expgui(diffBox).rfDCzref \
1154	-variable entryvar(zref) ] -column 2 -row 3
1155	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1156	-column 3 -row 3
1157	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1158	-width 15 ] -column 4 -row 3
1159	#
1160	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1161	-column 1 -row 4 -sticky w
1162	grid [ checkbutton $expgui(diffBox).rfDCpref \
1163	-variable entryvar(pref) ] -column 2 -row 4
1164	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1165	-column 3 -row 4
1166	grid [ entry $expgui(diffBox).eDCpola \
1167	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1168	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1169	-column 5 -row 4
1170	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1171	-textvariable entryvar(ipola)] -column 6 -row 4
1172	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1173	#---------------------------
1174	# CW - x-ray 2 wavelengths \|
1175	#---------------------------
1176	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1177	-column 3 -row 1 -sticky w
1178	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1179	-width 15 ] -column 4 -row 1
1180	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1181	-width 15 ] -column 5 -row 1
1182	#
1183	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1184	-column 1 -row 2 -sticky w
1185	grid [ checkbutton $expgui(diffBox).rfDCrref \
1186	-variable entryvar(ratref) ] -column 2 -row 2
1187	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1188	-column 3 -row 2
1189	grid [ entry $expgui(diffBox).eDCkratio \
1190	-textvariable entryvar(kratio) \
1191	-width 15 ] -column 4 -row 2
1192	#
1193	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1194	-column 3 -row 3
1195	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1196	-width 15 ] -column 4 -row 3
1197	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1198	-column 1 -row 3 -sticky w
1199	grid [ checkbutton $expgui(diffBox).rfDCzref \
1200	-variable entryvar(zref) ] -column 2 -row 3
1201	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1202	-column 1 -row 4 -sticky w
1203	grid [ checkbutton $expgui(diffBox).rfDCpref \
1204	-variable entryvar(pref) ] -column 2 -row 4
1205	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1206	-column 3 -row 4
1207	grid [ entry $expgui(diffBox).eDCpola \
1208	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1209	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1210	-column 5 -row 4
1211	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1212	-textvariable entryvar(ipola)] -column 6 -row 4
1213	-variable entryvar(zref) ] -column 2 -row 3
1214	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1215	#-------------
1216	# ED - x-ray \|
1217	#-------------
1218	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1219	-column 1 -row 1
1220	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1221	-column 2 -row 1
1222	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1223	-column 3 -row 1 -sticky w
1224	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1225	-width 15 ] -column 4 -row 1
1226	#
1227	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1228	-column 1 -row 4 -sticky w
1229	grid [ checkbutton $expgui(diffBox).rfDCpref \
1230	-variable entryvar(pref) ] -column 2 -row 4
1231	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1232	-column 3 -row 4
1233	grid [ entry $expgui(diffBox).eDCpola \
1234	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1235	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1236	-column 5 -row 4
1237	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1238	-textvariable entryvar(ipola)] -column 6 -row 4
1239	}
1240	} elseif {$expgui(globalmode) == 1} {
1241	#-------------
1242	# Global TOF \|
1243	#-------------
1244	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1245	-column 1 -row 1
1246	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1247	-column 2 -row 1
1248	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1249	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1250	#
1251	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1252	-column 1 -row 2
1253	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1254	-column 2 -row 2
1255	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1256	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1257	#
1258	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1259	-column 1 -row 3 -sticky w
1260	grid [ checkbutton $expgui(diffBox).rfDCzref \
1261	-variable entryvar(zref) ] -column 2 -row 3
1262	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1263	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1264	} elseif {$expgui(globalmode) == 2} {
1265	#--------------------
1266	# Global CW neutron \|
1267	#--------------------
1268	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1269	-column 1 -row 1
1270	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1271	-column 2 -row 1
1272	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1273	-command "editglobalparm histinfo lam1 Wavelength"] \
1274	-column 3 -row 1
1275	#
1276	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1277	-column 1 -row 3 -sticky w
1278	grid [ checkbutton $expgui(diffBox).rfDCzref \
1279	-variable entryvar(zref) ] -column 2 -row 3
1280	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1281	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1282	} elseif {$expgui(globalmode) == 4} {
1283	#----------------------
1284	# Global CW mono xray \|
1285	#----------------------
1286	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1287	-column 1 -row 1
1288	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1289	-column 2 -row 1
1290	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1291	-command "editglobalparm histinfo lam1 Wavelength"] \
1292	-column 3 -row 1
1293	#
1294	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1295	-column 1 -row 3 -sticky w
1296	grid [ checkbutton $expgui(diffBox).rfDCzref \
1297	-variable entryvar(zref) ] -column 2 -row 3
1298	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1299	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1300	#
1301	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1302	-column 1 -row 4 -sticky w
1303	grid [ checkbutton $expgui(diffBox).rfDCpref \
1304	-variable entryvar(pref) ] -column 2 -row 4
1305	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1306	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1307	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1308	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1309	} elseif {$expgui(globalmode) == 3} {
1310	#------------------------
1311	# Global alpha 1,2 xray \|
1312	#------------------------
1313	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1314	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1315	-column 3 -row 1
1316	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1317	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1318	-column 4 -row 1
1319	#
1320	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1321	-column 1 -row 3 -sticky w
1322	grid [ checkbutton $expgui(diffBox).rfDCratref \
1323	-variable entryvar(ratref) ] -column 2 -row 3
1324	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1325	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1326	-column 3 -row 3
1327	#
1328	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1329	-column 1 -row 3 -sticky w
1330	grid [ checkbutton $expgui(diffBox).rfDCzref \
1331	-variable entryvar(zref) ] -column 2 -row 3
1332	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1333	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1334	#
1335	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1336	-column 1 -row 4 -sticky w
1337	grid [ checkbutton $expgui(diffBox).rfDCpref \
1338	-variable entryvar(pref) ] -column 2 -row 4
1339	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1340	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1341	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1342	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1343	} elseif {$expgui(globalmode) == 5} {
1344	#-----------------
1345	# Global ED xray \|
1346	#-----------------
1347	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1348	-column 1 -row 1
1349	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1350	-column 2 -row 1
1351	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1352	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1353	-column 3 -row 1
1354	#
1355	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1356	-column 1 -row 4 -sticky w
1357	grid [ checkbutton $expgui(diffBox).rfDCpref \
1358	-variable entryvar(pref) ] -column 2 -row 4
1359	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1360	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1361	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1362	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1363	}
1364	if {$expgui(globalmode) == 0} {
1365	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1366	-columnspan 2 -sticky e
1367	} else {
1368	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1369	-columnspan 2 -sticky e
1370	}
1371	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1372	-column 1 -row 1
1373	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1374	grid $expgui(diffBox).d.om -column 2 -row 1
1375	grid columnconfigure $expgui(diffBox) 9 -weight 1
1376	grid columnconfigure $expgui(diffBox) 0 -weight 1
1377	update idletasks
1378	# enable traces on entryvar now
1379	set entrycmd(trace) 1
1380	}
1381
1382	#-----------------------------------------------------------------------
1383	# populate the Scaling page
1384	#-----------------------------------------------------------------------
1385	proc DisplayFrac {} {
1386	global expgui entrycmd entryvar expmap
1387
1388	# display the selected histograms
1389	$expgui(fracFrame).hs.lbox selection clear 0 end
1390	foreach h $expgui(curhist) {
1391	$expgui(fracFrame).hs.lbox selection set $h
1392	}
1393
1394	# disable traces on entryvar
1395	set entrycmd(trace) 0
1396
1397	# get histogram list
1398	set histlist {}
1399	foreach item $expgui(curhist) {
1400	lappend histlist [lindex $expmap(powderlist) $item]
1401	}
1402
1403	# must have at least one histogram selected here
1404	if {[llength $histlist] == 0} {
1405	foreach var {scale sref sdamp} {
1406	set entrycmd($var) ""
1407	set entryvar($var) ""
1408	}
1409	set parm [grid info $expgui(scaleBox).but1]
1410	if {$parm != ""} {
1411	grid forget $expgui(scaleBox).but1
1412	eval grid $expgui(scaleBox).ent1 $parm
1413	}
1414	# destroy the contents of the frame
1415	set phaseFractf1 $expgui(FracBox).f
1416	eval destroy [grid slaves $phaseFractf1]
1417	# reenable traces on entryvar
1418	set entrycmd(trace) 1
1419	return
1420	}
1421
1422	#--------------
1423	# Scale factor
1424	#--------------
1425	if {$expgui(globalmode) != 0} {
1426	foreach var {scale sref sdamp} {
1427	set entrycmd($var) "histinfo [list $histlist] $var"
1428	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1429	}
1430	set parm [grid info $expgui(scaleBox).ent1]
1431	if {$parm != ""} {
1432	grid forget $expgui(scaleBox).ent1
1433	eval grid $expgui(scaleBox).but1 $parm
1434	}
1435	} else {
1436	set hist $histlist
1437	foreach var {scale sref sdamp} {
1438	set entrycmd($var) "histinfo $hist $var"
1439	set entryvar($var) [eval $entrycmd($var)]
1440	}
1441	set parm [grid info $expgui(scaleBox).but1]
1442	if {$parm != ""} {
1443	grid forget $expgui(scaleBox).but1
1444	eval grid $expgui(scaleBox).ent1 $parm
1445	}
1446	}
1447
1448	#----------------
1449	# Phase Fractions
1450	#----------------
1451	set phaseFractf1 $expgui(FracBox).f
1452	# destroy the contents of the frame
1453	eval destroy [grid slaves $phaseFractf1]
1454	if {$expgui(globalmode) != 0} {
1455	grid [label $phaseFractf1.txt -anchor center \
1456	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1457	-column 0 -row 0 -sticky news
1458	} else {
1459	grid [label $phaseFractf1.txt -anchor center \
1460	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1461	}
1462	# Create the frame inside the canvas, One frame for each Phase.
1463	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1464	foreach hist $histlist {
1465	foreach i $expmap(phaselist_$hist) {
1466	lappend phasehistlist($i) $hist
1467	}
1468	}
1469	foreach i {1 2 3 4 5 6 7 8 9} {
1470	if {[llength $phasehistlist($i)] == 0} continue
1471	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1472	grid $framePF -column 0 -row $i -sticky ew
1473	# Label Heading for each phase.
1474	if {$expgui(globalmode) != 0} {
1475	grid [label $framePF.l1 \
1476	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1477	-column 0 -row 0 -sticky nws
1478	grid [button $framePF.but1 -text "Set Globally" \
1479	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1480	[list $phasehistlist($i)] $i" \
1481	] -column 1 -row 0
1482	} else {
1483	grid [label $framePF.l1 -text "Phase $i fraction"] \
1484	-column 0 -row 0 -sticky nws
1485	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1486	-column 1 -row 0
1487	}
1488	set entrycmd(frac$i) "hapinfo $hist $i frac"
1489	set entryvar(frac$i) [hapinfo $hist $i frac]
1490	grid [label $framePF.l2 -text " Refine"] \
1491	-column 2 -row 0 -sticky nws
1492	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1493	-column 3 -row 0 -sticky nws
1494	set entrycmd(frref$i) "hapinfo $hist $i frref"
1495	set entryvar(frref$i) [hapinfo $hist $i frref]
1496	grid [label $framePF.l3 -text " Damping"] \
1497	-column 4 -row 0 -sticky nws
1498	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1499	0 1 2 3 4 5 6 7 8 9
1500	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1501	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1502	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1503	}
1504	# resize the scroll window to match the actual
1505	update idletasks
1506	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1507	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1508	update idletasks
1509	# enable traces on entryvar now
1510	set entrycmd(trace) 1
1511	}
1512
1513	#-----------------------------------------------------------------------
1514	# display the profile page
1515	#-----------------------------------------------------------------------
1516	proc DisplayProfile {} {
1517	global expgui entrycmd entryvar expmap
1518	$expgui(profFrame).hs.lbox selection clear 0 end
1519	foreach h $expgui(curhist) {
1520	$expgui(profFrame).hs.lbox selection set $h
1521	}
1522
1523	# destroy the contents of the frame
1524	eval destroy [grid slaves $expgui(ProfileBox).f]
1525
1526	if {$expgui(globalmode) == 0} {
1527	# must have at least one histogram selected here
1528	if {[llength $expgui(curhist)] == 0} return
1529	# disable traces on entryvar for right now
1530	set entrycmd(trace) 0
1531	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1532	# Create one frame for each Phase.
1533	set ind -1
1534	set htype [string range $expmap(htype_$hist) 2 2]
1535	foreach i $expmap(phaselist_$hist) {
1536	incr ind
1537	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1538	-column 0 -row $ind -sticky ew
1539	grid [frame $expgui(ProfileBox).f.$i.1] \
1540	-column 0 -row 0 -columnspan 10 -sticky ew
1541	# Label Heading for each phase.
1542	set ptype [string trim [hapinfo $hist $i proftype]]
1543	pack [label $expgui(ProfileBox).f.$i.1.l \
1544	-text "Phase $i -- type $ptype Damping"]\
1545	-side left
1546	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1547	0 1 2 3 4 5 6 7 8 9
1548	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1549	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1550	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1551	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1552	-text " Peak cutoff"]\
1553	-side left
1554	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1555	-width 10 -textvariable entryvar(pcut_$i)]\
1556	-side left
1557	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1558	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1559
1560	set col -1
1561	set row 1
1562	set nterms [hapinfo $hist $i profterms]
1563	set lbls $expgui(prof-$htype-$ptype)
1564	# for type 4, add extra terms depending on the cell type
1565	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1566	for { set num 1 } { $num <= $nterms } { incr num } {
1567	set term {}
1568	catch {set term [lindex $lbls $num]}
1569	if {$term == ""} {set term $num}
1570	incr col
1571	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1572	-row $row -column $col
1573	incr col
1574	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1575	-variable entryvar(pref${num}_$i)] -row $row -column $col
1576	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1577	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1578	incr col
1579	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1580	-textvariable entryvar(pterm${num}_$i)\
1581	-width 12] -row $row -column $col
1582	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1583	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1584	if {$col > 6} {set col -1; incr row}
1585	}
1586	}
1587	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1588	} else {
1589	# get histogram list
1590	set histlist {}
1591	foreach item $expgui(curhist) {
1592	lappend histlist [lindex $expmap(powderlist) $item]
1593	}
1594	# must have at least one histogram selected here
1595	if {[llength $histlist] == 0} return
1596	# disable traces on entryvar for right now
1597	set entrycmd(trace) 0
1598	# loop through histograms & phases, set up an array by type
1599	catch {unset ptypearray histarray phasearray}
1600	foreach hist $histlist {
1601	foreach i $expmap(phaselist_$hist) {
1602	set ptype [string trim [hapinfo $hist $i proftype]]
1603	lappend ptypearray(${ptype}_$i) $hist
1604	lappend histarray($ptype) $hist
1605	lappend phasearray($ptype) $i
1606	}
1607	}
1608
1609	set ptype ""
1610	set title ""
1611	set ind -1
1612	foreach key "[lsort [array names ptypearray]] 0_0" {
1613	# split key
1614	scan $key %d_%d type p
1615	# 1st time through
1616	if {$ptype == ""} {set ptype $type}
1617	if {$ptype == $type} {
1618	# we've seen this one before
1619	if {$title != ""} {append title "\n"}
1620	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1621	} else {
1622	set hist [lindex $histarray($ptype) 0]
1623	set phase [lindex $phasearray($ptype) 0]
1624	set nterms [hapinfo $hist $phase profterms]
1625	set htype [string range $expmap(htype_$hist) 2 2]
1626	set lbls $expgui(prof-$htype-$ptype)
1627	set i $ptype
1628	# Create one frame for this type
1629	incr ind
1630	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1631	-column 0 -row $ind -sticky ew
1632	grid [frame $expgui(ProfileBox).f.$i.0] \
1633	-column 0 -row 0 -columnspan 20 -sticky ew
1634	grid [label $expgui(ProfileBox).f.$i.0.0 \
1635	-text "Profile Type $ptype "] -row 0 -column 0
1636	grid [label $expgui(ProfileBox).f.$i.0.1 \
1637	-text $title -anchor w] -row 0 -column 1
1638	grid [frame $expgui(ProfileBox).f.$i.1] \
1639	-column 0 -row 1 -columnspan 20 -sticky ew
1640	grid [label $expgui(ProfileBox).f.$i.1.2 \
1641	-text "Damping"] -row 0 -column 2
1642	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1643	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1644	set entrycmd(pdamp_$ptype) "hapinfo \
1645	[list $histarray($ptype)] \
1646	[list $phasearray($ptype)] pdamp"
1647	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1648	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1649	grid [button $expgui(ProfileBox).f.$i.1.edit \
1650	-text "Global Edit" \
1651	-command "EditProfile [list $title] \
1652	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1653	] -row 0 -column 4 -sticky w
1654	# for type 4, add extra terms depending on the cell type
1655	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1656	set col -1
1657	set row 2
1658	for { set num 1 } { $num <= $nterms } { incr num } {
1659	set term {}
1660	catch {set term [lindex $lbls $num]}
1661	if {$term == ""} {set term $num}
1662	incr col
1663	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1664	-row $row -column $col
1665	incr col
1666	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1667	-variable entryvar(pref${num}_$i)] \
1668	-row $row -column $col
1669	set entrycmd(pref${num}_$i) "hapinfo \
1670	[list $histarray($ptype)] \
1671	[list $phasearray($ptype)] pref$num"
1672	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1673	if {$col > 10} {set col -1; incr row}
1674	}
1675	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1676	set ptype ""
1677	}
1678	}
1679	}
1680
1681	# resize the scroll window to match the actual
1682	update idletasks
1683	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1684	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1685	update idletasks
1686	# enable traces on entryvar now
1687	set entrycmd(trace) 1
1688	}
1689
1690	# profile labels for type 4 profile
1691	proc type4lbls {lbls nterms phase} {
1692	if {$nterms == 14} {
1693	# cubic
1694	lappend lbls S400 S220
1695	} elseif {$nterms == 15} {
1696	# hexagonal
1697	lappend lbls S400 S004 S202
1698	} elseif {$nterms == 16} {
1699	# tetragonal or rhombohedral
1700	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1701	# rhombohedral
1702	lappend lbls S400 S220 S310 S211
1703	} else {
1704	lappend lbls S400 S004 S220 S202
1705	}
1706	} elseif {$nterms == 18} {
1707	# orthorhombic
1708	lappend lbls S400 S040 S004 S220 S202 S022
1709	} elseif {$nterms == 21} {
1710	# monoclinic
1711	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1712	} elseif {$nterms == 25} {
1713	# triclinic
1714	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1715	S130 S301 S013 S211 S121 S112
1716	}
1717	return $lbls
1718	}
1719
1720	# process the bit settings in the print options
1721	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1722	proc printsetting {bitnum "action get" "value {}"} {
1723	global entryvar expgui
1724	if {$action == "get"} {
1725	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1726	} elseif $value {
1727	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1728	} else {
1729	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1730	}
1731	expinfo print set $newval
1732	set expgui(printopt) "Print Options ([expinfo print])"
1733	}
1734
1735	# need to respond to mouse presses -- control variable associated with extract Fobs
1736	# and set the LeBail extraction flags
1737	proc SetupExtractHist {} {
1738	global expgui entrycmd entryvar expmap
1739
1740	# display the selected histograms
1741	$expgui(lsFrame).hs.lbox selection clear 0 end
1742	foreach h $expgui(curhist) {
1743	$expgui(lsFrame).hs.lbox selection set $h
1744	}
1745
1746	# get histogram list
1747	set histlist {}
1748	foreach item $expgui(curhist) {
1749	lappend histlist [lindex $expmap(powderlist) $item]
1750	}
1751	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1752	if {[llength $histlist] == 0} {
1753	foreach phase {1 2 3 4 5 6 7 8 9} {
1754	$expgui(lsFrame).f1.a.l$phase config -fg grey
1755	set expgui(Fextract$phase) {}
1756	foreach item $expgui(ExtractSettingsRadiobuttons) {
1757	${item}$phase config -state disabled -bd 1
1758	}
1759	}
1760	} elseif {[llength $histlist] == 1} {
1761	# disable traces on entryvar
1762	set entrycmd(trace) 0
1763	set entryvar(fobsextract) [histinfo $histlist foextract]
1764	foreach phase {1 2 3 4 5 6 7 8 9} {
1765	# is the phase present?
1766	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1767	$expgui(lsFrame).f1.a.l$phase config -fg grey
1768	set expgui(Fextract$phase) {}
1769	foreach item $expgui(ExtractSettingsRadiobuttons) {
1770	${item}$phase config -state disabled -bd 1
1771	}
1772	} else {
1773	$expgui(lsFrame).f1.a.l$phase config -fg black
1774	foreach item $expgui(ExtractSettingsRadiobuttons) {
1775	${item}$phase config -state normal -bd 2
1776	}
1777	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1778	}
1779	}
1780	} elseif {[llength $histlist] > 1} {
1781	# disable traces on entryvar
1782	set entrycmd(trace) 0
1783	# multiple histograms need phases in any histogram
1784	foreach phase {1 2 3 4 5 6 7 8 9} {
1785	set gotphase($phase) 0
1786	}
1787	foreach hist $histlist {
1788	foreach phase $expmap(phaselist_$hist) {
1789	set gotphase($phase) 1
1790	}
1791	}
1792	foreach phase {1 2 3 4 5 6 7 8 9} {
1793	set expgui(Fextract$phase) {}
1794	if $gotphase($phase) {
1795	$expgui(lsFrame).f1.a.l$phase config -fg black
1796	foreach item $expgui(ExtractSettingsRadiobuttons) {
1797	${item}$phase config -state normal -bd 2
1798	}
1799	} else {
1800	$expgui(lsFrame).f1.a.l$phase config -fg grey
1801	foreach item $expgui(ExtractSettingsRadiobuttons) {
1802	${item}$phase config -state disabled -bd 1
1803	}
1804	}
1805	}
1806	}
1807	# reenable traces
1808	set entrycmd(trace) 1
1809	}
1810	# respond to a change in the fobs extraction method for a phase
1811	# force the main extraction flag on, if fobs extraction is selected for any phase
1812	proc HistExtractSet {phase} {
1813	global expgui entryvar expmap
1814	foreach item $expgui(curhist) {
1815	lappend histlist [lindex $expmap(powderlist) $item]
1816	}
1817	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1818	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1819	}
1820	#---------------------------- Global Edit Functions ------------------------
1821	proc editbackground {} {
1822	global expgui expmap entrycmd
1823	set histlist {}
1824	foreach n $expgui(curhist) {
1825	lappend histlist [lindex $expmap(powderlist) $n]
1826	}
1827	if {[llength $histlist] == 0} return
1828
1829	set w .back
1830	catch {destroy $w}
1831	toplevel $w -bg beige
1832	if {$expgui(globalmode) != 0} {
1833	wm title $w "Edit Background"
1834	} else {
1835	wm title $w "Global Edit Background"
1836	}
1837
1838	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1839	] -side top -expand yes -fill both
1840	if {[llength $histlist] > 1} {
1841	grid [label $w.0.a \
1842	-text "Setting background terms for histograms [CompressList $histlist]" \
1843	-bg beige] -row 0 -column 0 -columnspan 10
1844	} else {
1845	grid [label $w.0.a \
1846	-text "Setting background terms for histogram $histlist" \
1847	-bg beige] -row 0 -column 0 -columnspan 10
1848	}
1849	set hist [lindex $histlist 0]
1850	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1851
1852	# disable traces on expgui(backtype) & expgui(backterms) now
1853	set entrycmd(trace) 0
1854
1855	# number of terms
1856	set expgui(backtype) [histinfo $hist backtype]
1857	set expgui(orig_backtype) $expgui(backtype)
1858	set expgui(prev_backtype) $expgui(backtype)
1859	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1860	grid $w.0.type -row 1 -column 1
1861	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1862
1863	# function type
1864	set expgui(backterms) [histinfo $hist backterms]
1865	set expgui(orig_backterms) $expgui(backterms)
1866	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1867	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1868	grid $w.0.terms -row 1 -column 3
1869	# enable traces on expgui(backtype) & expgui(backterms) now
1870	set entrycmd(trace) 1
1871
1872	#set background terms
1873	for {set num 1 } { $num <= 36 } { incr num } {
1874	set var "bterm$num"
1875	set expgui($var) {}
1876	set expgui(orig_$var) {}
1877	}
1878	if {[llength $histlist] == 1} {
1879	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1880	set var "bterm$num"
1881	set expgui($var) [histinfo $histlist $var]
1882	set expgui(orig_$var) $expgui($var)
1883	}
1884	}
1885
1886	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1887	-expand yes -fill both
1888	ShowBackTerms $w.1
1889
1890	set expgui(temp) {}
1891	pack [frame $w.b] -side top
1892	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1893	pack [button $w.b.3 -text Quit \
1894	-command "QuitEditBackground $w"] -side left
1895	# force the window to stay on top
1896	wm transient $w [winfo toplevel [winfo parent $w]]
1897
1898	bind $w <Return> "destroy $w"
1899	wm withdraw $w
1900	update idletasks
1901	# center the new window in the middle of the parent
1902	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
1903	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
1904	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
1905	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
1906	wm geom $w +$x+$y
1907	wm deiconify $w
1908
1909	set oldFocus [focus]
1910	set oldGrab [grab current $w]
1911	if {$oldGrab != ""} {
1912	set grabStatus [grab status $oldGrab]
1913	}
1914	grab $w
1915	focus $w.b.2
1916	tkwait window $w
1917
1918	catch {focus $oldFocus}
1919	if {$oldGrab != ""} {
1920	if {$grabStatus == "global"} {
1921	grab -global $oldGrab
1922	} else {
1923	grab $oldGrab
1924	}
1925	}
1926
1927	if {$expgui(temp) != ""} return
1928
1929	if {$expgui(orig_backtype) != $expgui(backtype)} {
1930	histinfo $histlist backtype set $expgui(backtype)
1931	}
1932	if {$expgui(orig_backterms) != $expgui(backterms)} {
1933	histinfo $histlist backterms set $expgui(backterms)
1934	}
1935	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1936	set var "bterm$num"
1937	if {$expgui(orig_$var) != $expgui($var)} {
1938	histinfo $histlist $var set $expgui($var)
1939	}
1940	}
1941
1942	if {$expgui(globalmode) == 0} {
1943	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1944	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1945	}
1946	}
1947
1948	trace variable expgui(backterms) w ChangeBackTerms
1949	proc ChangeBackTerms {a b c} {
1950	global entrycmd expgui
1951	if !$entrycmd(trace) return
1952	ShowBackTerms .back.1
1953	}
1954
1955	trace variable expgui(backtype) w ChangeBackType
1956	# reset the terms to 1, 0, 0... when the number of terms increase
1957	proc ChangeBackType {a b c} {
1958	global entrycmd expgui
1959	if !$entrycmd(trace) return
1960	if {$expgui(prev_backtype) == $expgui(backtype)} return
1961	set expgui(prev_backtype) $expgui(backtype)
1962	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1963	set var "bterm$num"
1964	if {$num == 1} {
1965	set expgui($var) 1.0
1966	} else {
1967	set expgui($var) 0.0
1968	}
1969	}
1970	}
1971
1972	proc ShowBackTerms {w } {
1973	global expgui expmap
1974	# destroy the contents of the frame
1975	eval destroy [grid slaves $w]
1976	set histlist {}
1977	foreach n $expgui(curhist) {
1978	lappend histlist [lindex $expmap(powderlist) $n]
1979	}
1980	set widgetsPerRow 4
1981	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
1982	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
1983	set var "bterm$num"
1984	grid [label $w.l$num -text $num -bg beige] \
1985	-row $rows -column $cols -sticky nes
1986	incr cols
1987	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
1988	] -row $rows -column $cols -sticky news
1989	incr cols
1990	}
1991	}
1992	}
1993
1994	proc QuitEditBackground {w} {
1995	global expgui
1996	# lets find out if anything changed
1997	set changed 0
1998	if {$expgui(orig_backtype) != $expgui(backtype)} {
1999	set changed 1
2000	}
2001	if {$expgui(orig_backterms) != $expgui(backterms)} {
2002	set changed 1
2003	}
2004	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2005	set var "bterm$num"
2006	if {$expgui(orig_$var) != $expgui($var)} {
2007	set changed 1
2008	break
2009	}
2010	}
2011	if $changed {
2012	set decision [tk_dialog .changes "Abandon Changes" \
2013	"You have made changes to the background. Ok to abandon changes?" \
2014	warning 0 Abandon Keep]
2015	if !$decision {
2016	set expgui(temp) "Quit"
2017	destroy $w
2018	}
2019	} else {
2020	set expgui(temp) "Quit"
2021	destroy $w
2022	}
2023	}
2024
2025	# this probably needs work
2026	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2027	global expgui expmap
2028	set w .global
2029	catch {destroy $w}
2030	toplevel $w -bg beige
2031	wm title $w "Edit Global Parameter"
2032	set expgui(temp) {}
2033	if {[llength $histlist] == 0} {
2034	set hist {}
2035	foreach n $expgui(curhist) {
2036	lappend hist [lindex $expmap(powderlist) $n]
2037	}
2038	} else {
2039	set hist $histlist
2040	}
2041	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2042	-side top -expand yes -fill both
2043	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2044	-bg beige] \
2045	-row 0 -column 0 -columnspan 10
2046	grid [entry $w.0.b -textvariable expgui(temp)] \
2047	-row 1 -column 0
2048
2049
2050	pack [frame $w.b] -side top
2051	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2052	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2053	# force the window to stay on top
2054	wm transient $w [winfo toplevel [winfo parent $w]]
2055
2056	bind $w <Return> "destroy $w"
2057	wm withdraw $w
2058	update idletasks
2059	# center the new window in the middle of the parent
2060	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2061	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2062	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2063	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2064	wm geom $w +$x+$y
2065	wm deiconify $w
2066
2067	set oldFocus [focus]
2068	set oldGrab [grab current $w]
2069	if {$oldGrab != ""} {
2070	set grabStatus [grab status $oldGrab]
2071	}
2072	grab $w
2073	focus $w.b.2
2074	tkwait window $w
2075	if {$expgui(temp) != ""} {
2076	foreach h $hist {
2077	if {$cmd == "histinfo"} {
2078	histinfo $h $variable set $expgui(temp)
2079	if $expgui(debug) {
2080	puts "histinfo $h $variable set $expgui(temp)"
2081	}
2082	} elseif {$cmd == "hapinfo"} {
2083	hapinfo $h $phase $variable set $expgui(temp)
2084	if $expgui(debug) {
2085	puts "hapinfo $phase $h $variable set $expgui(temp)"
2086	}
2087	} else {
2088	error "$cmd unimplemented"
2089	}
2090	}
2091	}
2092	catch {focus $oldFocus}
2093	if {$oldGrab != ""} {
2094	if {$grabStatus == "global"} {
2095	grab -global $oldGrab
2096	} else {
2097	grab $oldGrab
2098	}
2099	}
2100	}
2101
2102	proc EditProfile {title histlist phaselist} {
2103	global expgui expmap entrycmd
2104	set w .back
2105	catch {destroy $w}
2106	toplevel $w -bg beige
2107	wm title $w "Global Edit Profile"
2108	set hist [lindex $histlist 0]
2109	set phase [lindex $phaselist 0]
2110	set ptype [string trim [hapinfo $hist $phase proftype]]
2111	set htype [string range $expmap(htype_$hist) 2 2]
2112	set nterms [hapinfo $hist $phase profterms]
2113
2114	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2115	] -side top -expand yes -fill both
2116	grid [label $w.0.a \
2117	-text "Setting profile terms: $title" \
2118	-bg beige] -row 0 -column 0 -columnspan 10
2119	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2120
2121	# number of terms
2122	# set expgui(backtype) [histinfo $hist backtype]
2123	# set expgui(orig_backtype) $expgui(backtype)
2124	# set expgui(prev_backtype) $expgui(backtype)
2125	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2126	# grid $w.0.type -row 1 -column 1
2127
2128	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2129	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2130	set entrylist {}
2131	lappend entrylist "pcut $w.0.d"
2132
2133	set col -1
2134	set row 1
2135	set lbls $expgui(prof-$htype-$ptype)
2136	# for type 4, add extra terms depending on the cell type
2137	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2138	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2139	] -side top -expand yes -fill both
2140	for { set num 1 } { $num <= $nterms } { incr num } {
2141	set term {}
2142	catch {set term [lindex $lbls $num]}
2143	if {$term == ""} {set term $num}
2144	incr col
2145	grid [label $w.1.l${num} -text "$term" -bg beige] \
2146	-row $row -column $col
2147	incr col
2148	grid [entry $w.1.ent${num} \
2149	-width 14] -row $row -column $col
2150	lappend entrylist "pterm$num $w.1.ent${num}"
2151	if {$col > 6} {set col -1; incr row}
2152	}
2153	pack [frame $w.b] -side top
2154	pack [button $w.b.2 -text Set \
2155	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2156	[list $histlist] $w"] -side left
2157	pack [button $w.b.3 -text Quit \
2158	-command "QuitEditProfile $w [list $entrylist]"] -side left
2159	# force the window to stay on top
2160	wm transient $w [winfo toplevel [winfo parent $w]]
2161
2162	bind $w <Return> "destroy $w"
2163	wm withdraw $w
2164	update idletasks
2165	# center the new window in the middle of the parent
2166	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2167	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2168	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2169	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2170	wm geom $w +$x+$y
2171	wm deiconify $w
2172
2173	set oldFocus [focus]
2174	set oldGrab [grab current $w]
2175	if {$oldGrab != ""} {
2176	set grabStatus [grab status $oldGrab]
2177	}
2178	grab $w
2179	focus $w.b.2
2180	tkwait window $w
2181
2182	catch {focus $oldFocus}
2183	if {$oldGrab != ""} {
2184	if {$grabStatus == "global"} {
2185	grab -global $oldGrab
2186	} else {
2187	grab $oldGrab
2188	}
2189	}
2190	}
2191
2192	proc SetEditProfile {entrylist phaselist histlist w} {
2193	global expgui
2194	foreach item $entrylist {
2195	set value [ [lindex $item 1] get ]
2196	if {$value != ""} {
2197	hapinfo $histlist $phaselist [lindex $item 0] set $value
2198	if $expgui(debug) {
2199	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2200	}
2201	}
2202	}
2203	destroy $w
2204	}
2205
2206	proc QuitEditProfile {w entrylist} {
2207	global expgui
2208	# lets find out if anything changed
2209	set changed 0
2210	foreach item $entrylist {
2211	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2212	}
2213	if $changed {
2214	set decision [tk_dialog .changes "Abandon Changes" \
2215	"You have made changes to the Profile. Ok to abandon changes?" \
2216	warning 0 Abandon Keep]
2217	if !$decision {destroy $w}
2218	} else {
2219	destroy $w
2220	}
2221	}
2222
2223	##############################################################################
2224	## #############################################
2225	## END OF THE PROCEDURES SECTION #############################################
2226	## #############################################
2227	##############################################################################
2228
2229	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2230	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2231	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2232	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2233	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2234	# A frame for menu items at top of display
2235	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2236	# Pack the menu frame.
2237	pack $expgui(fm) -fill x -side top -anchor n
2238
2239	# create a button bar
2240	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2241
2242	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2243	# & LS controls
2244	if $expgui(havetix) {
2245	pack [tixNoteBook .n] -expand yes -fill both
2246	.n add lsPane -label "LS Controls" -underline 0
2247	.n pageconfigure lsPane -raisecmd \
2248	"set expgui(pagenow) lsFrame; SetupExtractHist"
2249	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2250	.n add phasePane -label "Phase" -underline 0
2251	.n pageconfigure phasePane -raisecmd \
2252	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2253	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2254	.n add histPane -label "Histogram" -underline 0
2255	.n pageconfigure histPane -raisecmd \
2256	"set expgui(pagenow) histFrame; DisplayHistogram"
2257	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2258	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2259	.n add fracPane -label "Scaling" -underline 6
2260	.n pageconfigure fracPane -raisecmd \
2261	"set expgui(pagenow) fracFrame; DisplayFrac"
2262	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2263	.n add profPane -label Profile -underline 1
2264	.n pageconfigure profPane -raisecmd \
2265	"set expgui(pagenow) profFrame; DisplayProfile"
2266	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2267	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2268	# Finding the pathname to the subwidget frames.
2269	set expgui(phaseFrame) [.n subwidget phasePane]
2270	set expgui(histFrame) [.n subwidget histPane]
2271	set expgui(fracFrame) [.n subwidget fracPane]
2272	set expgui(profFrame) [.n subwidget profPane]
2273	set expgui(lsFrame) [.n subwidget lsPane]
2274	} else {
2275	pack [frame .frmbar] -side top -anchor w
2276	pack [frame .n] -anchor w -fill both -expand yes
2277	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2278	page {"LS Controls" Phase Histogram Scaling Profile } {
2279	pack [button .frmbar.$item -text $page -bd 2 \
2280	-command "RaisePage $item"] -side left
2281	set expgui($item) [frame .n.$item -relief flat]
2282	}
2283	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2284	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2285	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2286	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2287	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2288	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2289	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2290	}
2291
2292	# this is used in the non-tix notebook to bring up the selected frame
2293	proc RaisePage {nextpage} {
2294	global expgui
2295	set expgui(pagenow) $nextpage
2296	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2297	if {$item == $nextpage} {
2298	.frmbar.$item config -relief flat
2299	} else {
2300	.frmbar.$item config -relief raised
2301	}
2302	}
2303	# forget all other pages
2304	foreach child [pack slaves .n] {
2305	pack forget $child
2306	}
2307	pack .n.$nextpage -anchor w -fill both -expand yes
2308	foreach set $expgui(frameactionlist) {
2309	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2310	}
2311	}
2312	#----------------------------------------------------------------------------
2313	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2314	# Setup major frames here
2315	frame $expgui(phaseFrame).top
2316	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2317	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2318	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2319	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2320	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2321
2322	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2323	grid $frameLatt -sticky news -row 2 -column 0
2324	grid $fbig -sticky news -row 3 -column 0
2325	# give extra space to the atoms box
2326	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2327	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2328	grid $frame3 -sticky news -row 4 -column 0
2329	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2330	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2331	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2332	# this is where the buttons will go
2333	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2334
2335	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2336	-fg blue ] -column 1 -row 0 -sticky e
2337	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2338	-fg blue -width 45] -column 2 -row 0 -sticky e
2339	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2340	# ------------- Lattice Parameter Box ------------------
2341	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2342	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2343	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2344	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2345	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2346	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2347	set l1 [label $frameLatt.l1 -text "a"]
2348	set l2 [label $frameLatt.l2 -text "b"]
2349	set l3 [label $frameLatt.l3 -text "c"]
2350	set l4 [label $frameLatt.l4 -text "alpha"]
2351	set l5 [label $frameLatt.l5 -text "beta"]
2352	set l6 [label $frameLatt.l6 -text "gamma"]
2353	grid $e1 -column 1 -row 0 -padx 5
2354	grid $e2 -column 3 -row 0 -padx 5
2355	grid $e3 -column 5 -row 0 -padx 5
2356	grid $e4 -column 1 -row 1 -padx 5
2357	grid $e5 -column 3 -row 1 -padx 5
2358	grid $e6 -column 5 -row 1 -padx 5
2359	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2360	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2361	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2362	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2363	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2364	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2365
2366	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2367	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2368	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2369	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2370	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2371	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2372
2373	#-------------- Begin Atom Coordinates Box ---------------------------------
2374	grid [listbox $fbig.title -height 1 -relief flat] \
2375	-row 0 -column 0 -sticky ew
2376	set expgui(atomtitle) $fbig.title
2377	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2378	grid [listbox $fbig.lbox -height 10 \
2379	-xscrollcommand " $fbig.bscr set"\
2380	-yscrollcommand " $fbig.rscr set"\
2381	] -row 1 -column 0 -sticky news
2382	set expgui(atomlistbox) $fbig.lbox
2383	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2384	grid [scrollbar $fbig.bscr -orient horizontal \
2385	-command "move2boxes \" $fbig.title $fbig.lbox \" "
2386	] -row 2 -column 0 -sticky ew
2387	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2388	] -row 1 -column 1 -sticky ns
2389	# give extra space to the atoms box
2390	grid columnconfigure $fbig 0 -weight 1
2391	grid rowconfigure $fbig 1 -weight 1
2392
2393	proc move2boxes {boxlist args} {
2394	foreach listbox $boxlist {
2395	eval $listbox xview $args
2396	}
2397	}
2398	# BIND mouse in editbox
2399	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2400	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2401
2402	#-------------- End Atoms Section ---------------------------------
2403
2404	# --------------------------- Begin Edit Box -------------------------------
2405	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2406	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
2407
2408	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2409	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2410
2411	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2412	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2413	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2414	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2415	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2416	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2417
2418	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2419	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2420
2421	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2422	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2423	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2424	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2425	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2426	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2427	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2428	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2429	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2430
2431	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2432	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2433
2434	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2435	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2436
2437	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2438	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2439	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2440	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2441	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2442	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2443	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2444	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2445	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2446	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2447
2448	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2449	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2450	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2451	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2452	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2453	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2454	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2455	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2456
2457
2458	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2459	grid $f3f31 -column 0 -row 7 -columnspan 12
2460	set expgui(anisolabels) {}
2461	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2462	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2463	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2464	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2465	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2466	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2467
2468	set expgui(anisoentry) {}
2469	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2470	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2471	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2472	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2473	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2474	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2475
2476	set col 0
2477	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2478	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2479	incr col
2480	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2481	incr col
2482	}
2483	# --------------------------- End Edit Box --------------------------------
2484
2485	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2486	#-----------------------------------------------------------------------------
2487	#v v v v v v v v v v BEGINNING OF HISTOGRAM PANE CODE v v v v v v v v v v v v
2488	grid [frame $expgui(histFrame).hs] \
2489	-column 0 -row 0 -rowspan 10 -sticky nsew
2490	grid columnconfigure $expgui(histFrame) 0 -weight 1
2491	grid rowconfigure $expgui(histFrame) 1 -weight 1
2492	grid rowconfigure $expgui(histFrame) 2 -weight 1
2493	grid rowconfigure $expgui(histFrame) 3 -weight 1
2494	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2495	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2496	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2497	-font $expgui(histfont) \
2498	-xscrollcommand "$expgui(histFrame).hs.x set" \
2499	-yscrollcommand "$expgui(histFrame).hs.y set" \
2500	] -row 1 -column 0 -sticky news
2501	lappend expgui(HistSelectList) $expgui(histFrame).hs
2502	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2503	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2504	] -row 2 -column 0 -sticky ew
2505	grid [scrollbar $expgui(histFrame).hs.y \
2506	-command "$expgui(histFrame).hs.lbox yview"] \
2507	-row 1 -column 1 -sticky ns
2508	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2509	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2510	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2511	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2512	DisplayHistogram
2513	}
2514	bind $expgui(histFrame).hs.lbox <Button-3> {
2515	if $expgui(globalmode) {
2516	$expgui(histFrame).hs.lbox selection set 0 end
2517	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2518	DisplayHistogram
2519	}
2520	}
2521
2522
2523	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2524	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2525	if $expgui(havetix) {
2526	foreach item {backBox diffBox} num {2 3} \
2527	title {Background "Diffractometer Constants"} {
2528	tixLabelFrame $expgui(histFrame).$item \
2529	-borderwidth 4 -width 600 -height 100 -label $title
2530	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2531	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2532	}
2533	} else {
2534	foreach item {backBox diffBox} num {1 2} \
2535	title {Background "Diffractometer Constants"} {
2536	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2537	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2538	set expgui($item) $expgui(histFrame).$item
2539	grid [label $expgui(histFrame).$item.title -text $title] \
2540	-row 0 -column 0 -columnspan 10 -sticky nw
2541	}
2542	}
2543
2544	# BACKGROUND information.
2545	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2546	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2547	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2548	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2549	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2550	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2551	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2552	-command editbackground] \
2553	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2554	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2555	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2556	-row 2 -column 1 -sticky news -padx 4 -pady 3
2557	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2558	-variable entryvar(bref) ] \
2559	-row 2 -column 2 -sticky news -padx 4 -pady 3
2560	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2561	-row 2 -column 3 -sticky w -padx 2 -pady 3
2562	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2563	grid $expgui(backBox).f1.om \
2564	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2565
2566	# DIFFRACTOMETER CONSTANTS SECTION
2567
2568	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2569	###############################################################################
2570	#v v v v v v v v v v BEGINNING OF SCALING PANE CODE v v v v v v v v v v
2571
2572	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2573	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2574	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2575	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2576	-font $expgui(histfont) \
2577	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2578	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2579	] -row 1 -column 0 -sticky news
2580	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2581	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2582	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2583	] -row 2 -column 0 -sticky ew
2584	grid [scrollbar $expgui(fracFrame).hs.y \
2585	-command "$expgui(fracFrame).hs.lbox yview"] \
2586	-row 1 -column 1 -sticky ns
2587	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2588	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2589	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2590	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2591	DisplayFrac
2592	}
2593	bind $expgui(fracFrame).hs.lbox <Button-3> {
2594	if $expgui(globalmode) {
2595	$expgui(fracFrame).hs.lbox selection set 0 end
2596	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2597	DisplayFrac
2598	}
2599	}
2600	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2601	# Create a large canvas area containing a frame for each phase in the data set.
2602	# The canvas and vertical scrollbar are inside a frame called f1
2603	if $expgui(havetix) {
2604	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2605	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2606	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2607	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2608	} else {
2609	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2610	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2611	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2612	}
2613	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2614	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2615	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2616	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2617	button $expgui(scaleBox).but1 -text "Set Globally" \
2618	-command "editglobalparm histinfo scale {Scale Factor}"
2619
2620	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2621	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2622	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2623	-row 1 -column 3 -sticky news -padx 4 -pady 3
2624	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2625	-row 1 -column 4 -sticky w -padx 2 -pady 3
2626	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2627	grid $expgui(scaleBox).om \
2628	-row 1 -column 5 -sticky news -padx 4 -pady 3
2629	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2630
2631	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2632	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2633	-sticky news -row 1 -column 0
2634	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2635	-sticky ns -row 1 -column 1
2636
2637	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2638	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2639
2640	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2641	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2642	frame $expgui(FracBox).f -bd 0
2643	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2644
2645	# the rest of the page is created in DisplayFrac
2646	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2647	###############################################################################
2648	# v v v v v v v v v v BEGINNING OF PROFILE PANE CODE v v v v v v v v v v v v v
2649	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2650	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2651	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2652	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2653	-font $expgui(histfont) \
2654	-xscrollcommand "$expgui(profFrame).hs.x set" \
2655	-yscrollcommand "$expgui(profFrame).hs.y set" \
2656	] -row 1 -column 0 -sticky news
2657	lappend expgui(HistSelectList) $expgui(profFrame).hs
2658	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2659	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2660	] -row 2 -column 0 -sticky ew
2661	grid [scrollbar $expgui(profFrame).hs.y \
2662	-command "$expgui(profFrame).hs.lbox yview"] \
2663	-row 1 -column 1 -sticky ns
2664	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2665	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2666	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2667	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2668	DisplayProfile
2669	}
2670	bind $expgui(profFrame).hs.lbox <Button-3> {
2671	if $expgui(globalmode) {
2672	$expgui(profFrame).hs.lbox selection set 0 end
2673	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2674	DisplayProfile
2675	}
2676	}
2677
2678	# Create a large canvas area containing a frame for each phase in the data set.
2679	# The canvas and vertical scrollbar are inside a frame called f1
2680	pack [frame $expgui(profFrame).f1] -fill both -expand true
2681	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2682	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2683	-sticky news -row 0 -column 0
2684	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2685	-sticky ns -row 0 -column 1
2686
2687	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2688	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2689
2690	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2691	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2692	frame $expgui(ProfileBox).f -bd 0
2693	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2694
2695	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2696	##############################################################################
2697	# v v v v v v v v v v BEGINNING OF LS PANE CODE v v v v v v v v v v v v v
2698	array set printopts {
2699	0 "Print the reciprocal metric tensor changes"
2700	1 "Print the correlation matrix"
2701	2 "Print the Least-Squares matrices and vectors"
2702	4 "Print the linear constraint matrices"
2703	5 "Print the applied shifts and shift factors"
2704	6 "Print the reciprocal metric tensor Var-Covar terms"
2705	7 "Print all parameters for each cycle"
2706	8 "Print summary shift/esd data after last cycle"
2707	9 "Print zero/unit pole figure constraint terms"
2708	}
2709	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2710	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2711	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2712	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2713	-font $expgui(histfont) \
2714	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2715	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2716	] -row 1 -column 0 -sticky news
2717	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2718	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2719	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2720	] -row 2 -column 0 -sticky ew
2721	grid [scrollbar $expgui(lsFrame).hs.y \
2722	-command "$expgui(lsFrame).hs.lbox yview"] \
2723	-row 1 -column 1 -sticky ns
2724	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2725	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2726	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2727	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2728	SetupExtractHist
2729	}
2730	bind $expgui(lsFrame).hs.lbox <Button-3> {
2731	if $expgui(globalmode) {
2732	$expgui(lsFrame).hs.lbox selection set 0 end
2733	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2734	SetupExtractHist
2735	}
2736	}
2737
2738	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2739	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2740	set row 0
2741	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2742	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2743	-textvariable expgui(last_History)] \
2744	-row $row -column 1 -columnspan 5 -sticky w
2745	incr row
2746	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2747	grid [entry $expgui(lsFrame).f1.tit2 \
2748	-textvariable entryvar(title) -width 48] \
2749	-row $row -column 1 -columnspan 5 -sticky w
2750	set entrycmd(title) "expinfo title"
2751
2752	incr row
2753	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2754	-row $row -column 0 -columnspan 2 -pady 3
2755	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2756	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2757	-textvariable entryvar(cycles)] -row 0 -column 1
2758	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2759	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2760	] -row $row -column 2
2761	menu $expgui(lsFrame).f1.lprint.menu
2762	foreach num [lsort [array names printopts]] {
2763	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2764	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2765	-variable entryvar(printopt$num)
2766	}
2767	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2768	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2769	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2770	incr row
2771	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2772	foreach num {1 2 3 4 5 6 7 8 9} {
2773	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2774	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2775	-command "HistExtractSet $num" \
2776	-variable expgui(Fextract$num) -value 0] \
2777	-row 2 -column $num
2778	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2779	-command "HistExtractSet $num" \
2780	-variable expgui(Fextract$num) -value 1] \
2781	-row 3 -column $num
2782	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2783	# -command "HistExtractSet $num" \
2784	# -variable expgui(Fextract$num) -value 2] \
2785	# -row 4 -column $num
2786	}
2787	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2788	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2789	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2790
2791	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2792	-column 0 -columnspan 11 -row 0
2793	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2794	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2795	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2796	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2797	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2798	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2799	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2800	#-------------------------------------------------------------------------
2801	#-------------------------------------------------------------------------
2802	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2803
2804	#---- file menu button
2805	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2806	menu $expgui(fm).file.menu
2807	if $expgui(debug) {
2808	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2809	-command "reset"
2810	}
2811	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2812	-command readnewexp
2813	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2814	-command savearchiveexp
2815	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2816	-command "SaveAsFile"
2817	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2818	-command {rereadexp $expgui(expfile)}
2819	#$expgui(fm).file.menu add command -label "Close" -underline 0
2820
2821	#---- help menu button
2822	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2823	menu $expgui(fm).help.menu
2824	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2825	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2826
2827	#---- options menu button
2828	menubutton $expgui(fm).option -text Options -underline 0 \
2829	-menu $expgui(fm).option.menu
2830	menu $expgui(fm).option.menu
2831
2832	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2833	-variable expgui(archive) -underline 0
2834
2835	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2836	-label "Sort atoms by"
2837
2838	set expgui(asorttype) number
2839	menu $expgui(fm).option.menu.asort
2840	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2841	-label number -value number -variable expgui(asorttype)
2842	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2843	-label type -value type -variable expgui(asorttype)
2844	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2845	-label x -value x -variable expgui(asorttype)
2846	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2847	-label y -value y -variable expgui(asorttype)
2848	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2849	-label z -value z -variable expgui(asorttype)
2850
2851
2852	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2853	-label "Sort histograms by"
2854
2855	set expgui(hsorttype) number
2856	menu $expgui(fm).option.menu.hsort
2857	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2858	-label number -value number -variable expgui(hsorttype)
2859	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2860	-label "Histogram type" -value type -variable expgui(hsorttype)
2861	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2862	-label "Bank #" -value bank -variable expgui(hsorttype)
2863	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2864	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2865
2866	#---- Global mode menu button
2867	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2868	-label "Multiple hist. selection"
2869	menu $expgui(fm).option.menu.editmode
2870	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2871	-variable expgui(globalmode) -underline 0 -value 0\
2872	-command sethistlist
2873	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2874	-variable expgui(globalmode) -underline 0 -value 6 \
2875	-command sethistlist
2876	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2877	-variable expgui(globalmode) -underline 0 -value 1 \
2878	-command sethistlist
2879	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2880	-variable expgui(globalmode) -underline 0 -value 2 \
2881	-command sethistlist
2882	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2883	-variable expgui(globalmode) -underline 0 -value 3 \
2884	-command sethistlist
2885	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2886	-variable expgui(globalmode) -underline 0 -value 4 \
2887	-command sethistlist
2888	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2889	-variable expgui(globalmode) -underline 0 -value 5 \
2890	-command sethistlist
2891	set expgui(globalmode) 0
2892
2893	if {$tcl_platform(platform) != "windows"} {
2894	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2895	-variable env(GSASBACKSPACE)
2896	}
2897	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2898	-command "SaveOptions"
2899
2900	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2901
2902	foreach menu $expgui(menunames) {
2903	set m [string tolower $menu]
2904	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2905	-menu $expgui(fm).$m.menu] -side left
2906	menu $expgui(fm).$m.menu
2907	}
2908	pack $expgui(fm).help -side right -in $expgui(fm)
2909
2910	# add the commands in expgui_menulist
2911	foreach menu [array names expgui_menulist ] {
2912	foreach cmd $expgui_menulist($menu) {
2913	set action {}
2914	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2915	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2916	if {$action != "" && $action != "-"} {
2917	eval $expgui(fm).$menu.menu add command \
2918	-label $cmd -command [list [subst $action]]
2919	}
2920	}
2921	}
2922	# setup command help
2923	foreach cmd [array names expgui_cmdlist] {
2924	set help {}
2925	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2926	if {$help == ""} {
2927	if {$expgui(debug)} {puts "no help for $cmd"}
2928	} else {
2929	# remove
2930	regsub -all \x09 $help " " help
2931	# preserve blank lines
2932	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2933	regsub -all \x0A $help " " help
2934	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2935	regsub -all " +" $help " " help
2936	set expgui_helplist($cmd) [string trim $help]
2937	}
2938	}
2939	# set up button bar
2940	foreach cmd $expgui(buttonlist) {
2941	set action {}
2942	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2943	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2944	if {$action != ""} {
2945	pack [eval button .bar.$cmd -bg beige \
2946	-text $cmd -command [list [subst $action]]] -side left
2947	}
2948	}
2949
2950	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
2951	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
2952
2953
2954	# handle indirect exits
2955	wm protocol . WM_DELETE_WINDOW catchQuit
2956	bind . <Control-c> catchQuit
2957
2958	set expgui(curPhase) ""
2959	set expgui(pagenow) ""
2960	set expgui(curhist) {}
2961
2962	loadexp $expgui(expfile)
2963
2964	# select the 1st phase
2965	SelectOnePhase [lindex $expmap(phaselist) 0]
2966	# select the first histogram in the list by default (if there are any)
2967	if {[llength $expmap(histlistboxcontents)] > 0} {set expgui(curhist) 0}
2968
2969	if !$expgui(havetix) {
2970	RaisePage lsFrame
2971	} else {
2972	.n raise lsPane
2973	set expgui(pagenow) lsFrame
2974	}

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format