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source: trunk/expgui @ 490

Last change on this file since 490 was 484, checked in by toby, 13 years ago
# on 2001/11/07 18:17:37, toby did: get rid of echo command
Property rcs:author set to `toby` Property rcs:date set to `2001/11/07 18:17:37` Property rcs:lines set to `+8 -6` Property rcs:rev set to `1.51` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 124.9 KB

Line
1	#!/usr/local/bin/wish
2	# $Id: expgui 484 2009-12-04 23:06:56Z toby $
3	set expgui(Revision) {$Revision: 484 $ $Date: 2009-12-04 23:06:56 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"EXPGUI requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	# the shell variable tells expgui to act as a shell for GSAS
38	# as well as edit the EXP file. In no-shell mode, it can
39	# only be used to edit the .EXP file as a callable program
40	set expgui(shell) 1
41	catch {if $env(EXPGUI_NOSHELL) {set expgui(shell) 0}}
42
43	if {$argv != ""} {
44	if {[string match noshell [string tolower $argv]]} {
45	puts noshell
46	set expgui(shell) 0
47	set expgui(expfile) [lindex $argv 1]
48	} else {
49	set expgui(expfile) [lindex $argv 0]
50	}
51	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
52	append expgui(expfile) ".EXP"
53	}
54	} else {
55	set expgui(expfile) {}
56	}
57
58	set expgui(curhist) {}
59	set expmap(powderlist) {}
60	set expgui(bkgcolor1) #fdf
61
62	set expgui(debug) 0
63	catch {if $env(DEBUG) {set expgui(debug) 1}}
64	#set expgui(debug) 1
65
66	# location for web pages, if not found locally
67	set expgui(website) www.ncnr.nist.gov/xtal/software/expgui
68	# default for archive mode = on
69	set expgui(archive) 1
70	# default for autoexec load = off
71	set expgui(autoexpload) 0
72	# by default expgui is iconified while GENLES, etc runs
73	set expgui(autoiconify) 1
74	# default for show EXPTOOL output = off
75	set expgui(showexptool) 0
76	# save the name of the wish executable
77	set wishshell [info nameofexecutable]
78	# misc constants
79	set txtvw(font) "Courier"
80	set expgui(font) 14
81	set liveplot(hst) 1
82	set liveplot(legend) 1
83	set expgui(filesort) 1
84	set expgui(initstring) {}
85	# use a separate window for DISAGL (default)
86	set expgui(disaglSeparateBox) 1
87	set expgui(DefaultPeakType) 0
88	# default: keep current atoms when replacing a phase
89	set expgui(DeleteAllAtoms) 0
90	#=============================================================================
91	#----------------------------------------------------------------
92	# where are we?
93	set expgui(script) [info script]
94	# translate links -- go six levels deep
95	foreach i {1 2 3 4 5 6} {
96	if {[file type $expgui(script)] == "link"} {
97	set link [file readlink $expgui(script)]
98	if { [file pathtype $link] == "absolute" } {
99	set expgui(script) $link
100	} {
101	set expgui(script) [file dirname $expgui(script)]/$link
102	}
103	} else {
104	break
105	}
106	}
107	# fixup relative paths
108	if {[file pathtype $expgui(script)] == "relative"} {
109	set expgui(script) [file join [pwd] $expgui(script)]
110	}
111	set expgui(scriptdir) [file dirname $expgui(script) ]
112	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
113	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
114	set expgui(docdir) [file join $expgui(scriptdir) doc]
115	#----------------------------------------------------------------
116	lappend auto_path $expgui(scriptdir)
117	set expgui(havetix) 0
118	set expgui(haveBW) 1
119	# for debugging non-BWidget version set environment variable NOBWIDGET
120	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
121	if $expgui(haveBW) {
122	if [catch {package require BWidget}] {set expgui(haveBW) 0}
123	}
124	# get the notebook widget if not using BWidgets
125	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
126	#----------------------------------------------------------------
127	source [file join $expgui(scriptdir) opts.tcl]
128	# fetch EXP file processing routines
129	source [file join $expgui(scriptdir) readexp.tcl]
130	# commands for running GSAS programs
131	source [file join $expgui(scriptdir) gsascmds.tcl]
132	# contents of GSAS menus
133	source [file join $expgui(scriptdir) gsasmenu.tcl]
134	# commands for adding phases, histograms & atoms
135	source [file join $expgui(scriptdir) addcmds.tcl]
136	# commands for preferred orientation
137	source [file join $expgui(scriptdir) orient.tcl]
138	# setting data range/excluded regions
139	source [file join $expgui(scriptdir) exclinit.tcl]
140	#---------------------------------------------------------------------------
141	# override options with locally defined values
142	if [file exists [file join $expgui(scriptdir) localconfig]] {
143	source [file join $expgui(scriptdir) localconfig]
144	}
145	if [file exists [file join ~ .gsas_config]] {
146	source [file join ~ .gsas_config]
147	}
148	SetTkDefaultOptions $expgui(font)
149	#---------------------------------------------------------------------------
150	# platform-specific code
151	if {$tcl_platform(platform) == "windows" \
152	&& $tcl_platform(os) == "Windows 95"} {
153	if [catch {package require winexec}] {
154	MyMessageBox -parent . -title "WINEXEC Error" \
155	-message "Error -- Unable to load the WINEXEC package. This is needed in Win95 machines" \
156	-icon error -type Quit -default quit \
157	-helplink "expgui_Win_readme.html Winexec"
158	destroy .
159	}
160	}
161	if {$tcl_platform(platform) == "windows"} {
162	# check the path -- can DOS use it?
163	if {[string first {\\} $expgui(script) ] != -1} {
164	MyMessageBox -parent . -title "Invalid Path" \
165	-message {Error -- You cannot run EXPGUI/GSAS from a network drive unless it is mapped to a "drive" (like F:). Use "Map network drive" to access this directory} \
166	-icon error -type {"Limp Ahead"} -default "limp ahead" \
167	-helplink "expgui_Win_readme.html NetPath"
168	}
169	#
170	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
171	} else {
172	set expgui(exptool) [file join $expgui(gsasexe) exptool]
173	if [catch {set env(GSASBACKSPACE)}] {set env(GSASBACKSPACE) 1}
174	}
175	# do we have a PGPLOT fonts file?
176	# if it is in the "wrong" place/name -- make it "right"
177	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
178	[file exists [file join $expgui(gsasdir) fonts grfont.dat]]} {
179	catch {file mkdir [file join $expgui(gsasdir) pgl]}
180	file copy [file join $expgui(gsasdir) fonts grfont.dat] \
181	[file join $expgui(gsasdir) pgl grfont.dat]
182	}
183	# do we have a PGPLOT fonts file?
184	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
185	[file exists [file join $expgui(gsasdir) fonts pgfont.dat]]} {
186	catch {file mkdir [file join $expgui(gsasdir) pgl]}
187	file copy [file join $expgui(gsasdir) fonts pgfont.dat] \
188	[file join $expgui(gsasdir) pgl grfont.dat]
189	}
190	# do we have a PGPLOT fonts file?
191	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
192	[file exists [file join $expgui(gsasdir) pgl pgfont.dat]]} {
193	file copy [file join $expgui(gsasdir) pgl pgfont.dat] \
194	[file join $expgui(gsasdir) pgl grfont.dat]
195	}
196	if ![file exists [file join $expgui(gsasdir) pgl grfont.dat]] {
197	MyMessageBox -parent . -title "PGPLOT Error" \
198	-message "Warning -- Unable to find file GRFONT.DAT in [file join $expgui(gsasdir) pgl]. GSAS graphics will not work. Is GSAS correctly installed?" \
199	-icon warning -type {"Limp Ahead"} -default "Limp Ahead" \
200	-helplink "expguierr.html NoPGPLOT"
201	}
202	#---------------------------------------------------------------------------
203	if {$expgui(expfile) != ""} {
204	if ![file exists $expgui(expfile)] {
205	update
206	set ans [
207	MyMessageBox -parent . -title "File Open Error" \
208	-message "File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]. OK to create?" \
209	-icon question -type {"Select other" "Create"} -default "select other" \
210	-helplink "expguierr.html OpenErr"
211	]
212	if {[string tolower $ans] != "create"} {set expgui(expfile) {}}
213	}
214	}
215	if {$expgui(expfile) == ""} {
216	# center the parent window because the getExpFileName window
217	# will be centered above it.
218	wm withdraw .
219	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
220	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
221	wm geom . +$x+$y
222	wm deiconify .
223	# windows needed this update before when using tk_getOpenFile.
224	# I am not sure it is still needed.
225	update
226	#
227	set expgui(expfile) [getExpFileName old]
228	}
229	if {$expgui(expfile) == ""} exit
230	# you've been warned this .EXP does not exist!
231	if ![file exists $expgui(expfile)] {
232	# create an "empty" exp file
233	createexp $expgui(expfile) \
234	[getstring "title for experiment $expgui(expfile)" 60 0]
235	}
236	catch {cd [string trim [file dirname $expgui(expfile)]]}
237
238	#
239	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
240	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
241	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
242	# load exp file and set up dialogs
243	proc loadexp {expfile} {
244	global expgui expmap entryvar entrycmd tcl_platform
245	# is this a compressed archive file?
246	if {[string match {*.O[0-9A-F][0-9A-F]} $expfile]} {
247	set expgui(expfile) {}
248	set expnam [file rootname $expfile]
249	set ans [MyMessageBox -parent . -title "Load Archived File" \
250	-message "Loading archived version of $expnam. Do you want to continue using the same experiment name or work with the archived version under a new name?" \
251	-icon question -type "{Use New Name} {Continue with current}" \
252	-default {Use New Name} \
253	-helplink "expguierr.html LoadArchived"
254	]
255	# archive the current .EXP file
256	if {$ans != "use new name" && [file exists $expfile]} {
257	# get the last archived version
258	set lastf [lindex [lsort [glob -nocomplain $expnam.{O\[0-9A-F\]\[0-9A-F\]}]] end]
259	if {$lastf == ""} {
260	set num 01
261	} else {
262	regexp {.*\.O([0-9A-F][0-9A-F])$} $lastf a num
263	scan $num %x num
264	if {$num >= 255} {
265	set num FF
266	} else {
267	set num [string toupper [format %.2x [incr num]]]
268	}
269	}
270	catch {
271	set newfile $expnam.O$num
272	file rename -force $expnam.EXP $newfile
273	set fp [open $expnam.LST a+]
274	puts $fp "\n----------------------------------------------"
275	puts $fp " Regressing to archive file [file tail $expfile]"
276	puts $fp " but first archiving [file tail $expnam.EXP] as [file tail $newfile]"
277	puts $fp "----------------------------------------------\n"
278	close $fp
279	}
280	}
281	file copy -force $expfile $expnam.EXP
282	set fmt [expload $expfile]
283	# if the file was not in the correct format, force a rewrite before use
284	if {$fmt < 0} {
285	# read error
286	return
287	} elseif {$fmt == 1} {
288	set expgui(changed) 0
289	} else {
290	set expgui(changed) 1
291	}
292	set expfile $expnam.EXP
293	if {$ans == "use new name"} {
294	SaveAsFile
295	set expfile $expgui(expfile)
296	}
297	} else {
298	set exploadtime [time {set fmt [expload $expfile]}]
299	if $expgui(debug) {puts "expload $exploadtime"}
300	# if the file was not in the correct format, force a rewrite before use
301	if {$fmt < 0} {
302	# read error
303	return
304	} elseif {$fmt == 1} {
305	set expgui(changed) 0
306	} else {
307	set expgui(changed) 1
308	}
309	}
310	# force exp files to be upper case, force save if name changes
311	set filetail [file tail $expfile]
312	set filetailcaps [string toupper $filetail]
313	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
314	set expgui(changed) 1
315	}
316	if {[file dirname $expfile] == "."} {
317	set expgui(expfile) $filetailcaps
318	} else {
319	set expgui(expfile) [file join \
320	[file dirname $expfile] $filetailcaps]
321	}
322
323	mapexp
324	set expgui(expModifiedLast) 0
325	catch {
326	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
327	}
328	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
329	# set the window/icon title
330	wm title . "EXPGUI $expfile"
331	set expgui(titleunchanged) 1
332	wm iconname . [file tail $expfile]
333
334	# set the number of phases on the phase page
335	setphases
336
337	# disable the "global options" that don't make sense based on
338	# which histograms present
339	foreach num {1 2 3 4 5} {
340	set flag($num) 0
341	}
342	# save a list of the allowed modes, too
343	set expgui(AllowedHistSelectModes) {0 6}
344	foreach h $expmap(powderlist) {
345	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
346	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
347	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
348	[histinfo $h lam2] != 0.0} {set flag(3) 1}
349	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
350	[histinfo $h lam2] == 0.0} {set flag(4) 1}
351	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
352	}
353	foreach num {1 2 3 4 5} \
354	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
355	"Energy Disp Xray"} {
356	if $flag($num) {
357	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
358	lappend expgui(AllowedHistSelectModes) $num
359	} else {
360	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
361	}
362	}
363	# disable traces on entryvar until we are ready
364	set entrycmd(trace) 0
365	trace vdelete entryvar w entvartrace
366
367	# propogate changes on the least squares page
368	set entryvar(cycles) [expinfo cycles]
369	set entrycmd(cycles) "expinfo cycles"
370	# set expgui(globalmode) 0
371	set expgui(printopt) "Print Options ([expinfo print])"
372	set entryvar(title) [expinfo title]
373	global printopts
374	foreach num [array names printopts] {
375	set entrycmd(printopt$num) "printsetting $num"
376	set entryvar(printopt$num) [printsetting $num]
377	}
378	# enable traces on entryvar
379	set entrycmd(trace) 1
380	trace variable entryvar w entvartrace
381
382	# set fo extraction on LS page
383	SetupExtractHist
384	# set convergence criterion
385	InitLSvars
386
387	# update the histogram list & update the page
388	sethistlist
389
390	# start checking for external changes
391	afterawhile
392	}
393
394	# called to reread the .EXP file
395	proc rereadexp {expfile} {
396	global expgui
397	if $expgui(changed) {
398	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
399	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
400	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
401	switch $decision {
402	0 { savearchiveexp }
403	1 { }
404	2 { return }
405	}
406	}
407	loadexp $expgui(expfile)
408	}
409
410	proc SaveAsFile {} {
411	global expgui
412	set newexpfile [getExpFileName new]
413	if {$newexpfile == ""} return
414	expwrite $newexpfile
415	set expgui(expfile) $newexpfile
416	catch {cd [string trim [file dirname $expgui(expfile)]]}
417	set expgui(changed) 0
418	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
419	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
420	# set the window/icon title
421	wm title . $expgui(expfile)
422	set expgui(titleunchanged) 1
423	wm iconname . [file tail $expgui(expfile)]
424	# set convergence criterion
425	InitLSvars
426	}
427
428	# called to read a different .EXP file
429	proc readnewexp {} {
430	global expgui expmap
431	if $expgui(changed) {
432	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
433	{You have made changes to the Experiment. Reading a different file without first saving will cause the changes to be lost. Select an option:} \
434	{} 0 "Save and read" "Read without Save" "Cancel read command"]
435	switch $decision {
436	0 { savearchiveexp }
437	1 { }
438	2 { return }
439	}
440	}
441	set newexpfile [getExpFileName old]
442	if {$newexpfile == ""} return
443
444	# switch to the 1st page
445	RaisePage lsFrame
446
447	if ![file exists $newexpfile] {
448	# you've been warned this .EXP does not exist!
449	# create an "empty" exp file
450	createexp $newexpfile \
451	[getstring "title for experiment $newexpfile" 60 0]
452	}
453	set expgui(expfile) $newexpfile
454	catch {cd [string trim [file dirname $expgui(expfile)]]}
455	set expgui(globalmode) 0
456	loadexp $expgui(expfile)
457
458	# select the 1st phase
459	SelectOnePhase [lindex $expmap(phaselist) 0]
460	# select the first histogram in the list by default (if there are any)
461	if {[llength $expmap(histlistboxcontents)] > 0} {
462	set expgui(curhist) 0
463	} else {
464	set expgui(curhist) {}
465	}
466	if {[CountHistory] > 100} {
467	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
468	}
469	}
470
471	#------------- set up data read/write layer ----------------------
472	# trace routine on entryvar
473	proc entvartrace {array elem action} {
474	global expgui entrycmd entryvar entrybox
475	if !$entrycmd(trace) return
476
477	catch {
478	if {$entrycmd($elem) == ""} return
479	incr expgui(changed)
480	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
481	if {$entrycmd($elem) == ""} return
482	if [catch {
483	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
484	if {!$result} {
485	if $expgui(debug) {puts "error with $entrycmd($elem)"}
486	catch {$entrybox($elem) config -fg red}
487	} else {
488	catch {$entrybox($elem) config -fg black}
489	}
490	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
491	after idle {DisplayAllAtoms noreset}
492	}
493	} errmsg] {error $errmsg}
494	}
495	}
496
497	# disable traces on entryvar until we are ready
498	set entrycmd(trace) 0
499	trace variable entryvar w entvartrace
500
501	#
502	#
503	#
504	##############################################################################
505	##### #####################################################
506	##### PROCEDURES SECTION #####################################################
507	##### #####################################################
508	##############################################################################
509
510	# save some of the global options in ~/.gsas_config
511	proc SaveOptions {} {
512	global expgui env tcl_platform graph peakinfo
513	set fp [open [file join ~ .gsas_config] a]
514	foreach item {archive asorttype hsorttype filesort disaglSeparateBox \
515	font autoexpload autoiconify autotick} {
516	puts $fp "set expgui($item) $expgui($item)"
517	}
518	if {$tcl_platform(platform) != "windows"} {
519	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
520	}
521	foreach v {printout legend outname outcmd autoraise color_excl \
522	color_obs color_calc} {
523	puts $fp "set graph($v) $graph($v)"
524	}
525	foreach v {obssym obssize exclsym exclsize} {
526	puts $fp "set peakinfo($v) $peakinfo($v)"
527	}
528	close $fp
529	}
530
531	proc About { } {
532	global expgui expmap
533	tk_dialog .about {About...} \
534	"EXPGUI\n\
535	Jonathan Wasserman and Brian Toby\n\
536	NIST Center for Neutron Research\n\n\
537	2000, Not subject to copyright\n\n\
538	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
539	Cite: B. H. Toby, EXPGUI, a graphical\n\
540	user interface for GSAS, J. Appl. Cryst.\n\
541	34, 210-21 (2001).
542	\n\n\
543	Generalized Structure Analysis System\n(GSAS)\n\
544	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
545	" \
546	info 0 OK
547	}
548	proc Cite { } {
549	global expgui expmap
550	tk_dialog .about {Citations...} \
551	"If you use EXPGUI, please cite\n\n\
552	B.H. Toby, EXPGUI, a graphical\n\
553	user interface for GSAS, J. Appl. Cryst.\n\
554	34, 210-21 (2001).\n\n\
555	as well as\n\n\
556	A.C. Larson and R.B. Von Dreele,\n\
557	\"General Structure Analysis System (GSAS)\",\n\
558	Los Alamos National Laboratory Report\n\
559	LAUR 86-748 (2000)." \
560	info 0 OK
561	}
562
563	# wait until idle
564	proc afterawhile {} {
565	# cancel any other instances of this loop
566	after cancel afterawhile
567	after cancel whenidle
568	after cancel whenidle
569	after idle whenidle
570	}
571
572	# This is called every 2 seconds to check for changes to the .EXP file
573	proc whenidle {} {
574	global expgui tcl_platform
575	if $expgui(titleunchanged) {
576	if {$expgui(changed) != 0} {
577	wm title . "$expgui(expfile) (modified)"
578	set expgui(titleunchanged) 0
579	}
580	}
581	if {$expgui(expModifiedLast) == 0} {
582	after 2000 afterawhile
583	return
584	}
585	if {![file exists $expgui(expfile)]} {
586	after 2000 afterawhile
587	return
588	}
589	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
590	# we are "locked". Note that whenidle loop will be restarted later
591	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
592	return
593	}
594	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
595
596	if {$ans == 0} {
597	loadexp $expgui(expfile)
598	} elseif {$ans == 1} {
599	# reset the time to the next version
600	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
601	} elseif {$ans == 2} {
602	SaveAsFile
603	}
604	}
605	after 2000 afterawhile
606	}
607
608	# place a message about changes over the main window
609	proc ReloadExpMsg {file changes} {
610	global expgui tcl_platform
611	set msg "File $file has been modified by another program"
612	if {$changes == 1} {
613	append msg " and you have made a change to this version.\n"
614	} elseif {$changes > 0} {
615	append msg " and you have made $changes changes to this version.\n"
616	} else {
617	append msg ".\n"
618	}
619	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
620
621	set w .ask
622	catch {destroy $w}
623	toplevel $w -class Dialog
624	wm title $w "Reload?"
625	wm iconname $w "Reload?"
626	wm protocol $w WM_DELETE_WINDOW { }
627	wm transient $w .
628	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
629	pack [button $w.help -text Help -bg yellow \
630	-command "MakeWWWHelp expguierr.html Overwrite"] \
631	-side top -anchor e
632	frame $w.bot
633	pack $w.bot -side bottom
634	frame $w.top -class FixedFont
635	pack $w.top -side top -fill both -expand 1
636	label $w.top.msg -justify left \
637	-wraplength 5i -font {Times 18} \
638	-text $msg
639	if {$tcl_platform(platform) == "windows"} {
640	$w.top.msg config -font {Times 14}
641	}
642	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
643	pack [button $w.bot.1 -text "Load new" \
644	-default active -command "set expgui(dialogbutton) 0" \
645	] -side left -expand 1 -padx 3m -pady 2m
646	pack [button $w.bot.2 -text "Continue with old" \
647	-command "set expgui(dialogbutton) 1"] \
648	-side left -expand 1 -padx 3m -pady 2m
649	if {$changes > 0} {
650	pack [button $w.bot.3 -text "Save edited version" \
651	-command "set expgui(dialogbutton) 2"] \
652	-side left -expand 1 -padx 3m -pady 2m
653	}
654	# Create a binding for <Return> on the dialog
655	bind $w <Return> "tkButtonInvoke $w.bot.1"
656	wm withdraw $w
657	update idletasks
658
659	# for windows put the box in the upper left, for
660	# unix center it over the parent (in unix it appears later)
661	#if {$tcl_platform(platform) == "windows"} {
662	#wm geom $w +0+0
663	#} else {
664
665	# for now, always center the message over the main window
666	# center the new window in the middle of the parent
667	set x [expr [winfo x .] + [winfo width .]/2 - \
668	[winfo reqwidth $w]/2 - [winfo vrootx .]]
669	set y [expr [winfo y .] + [winfo height .]/2 - \
670	[winfo reqheight $w]/2 - [winfo vrooty .]]
671	wm geom $w +$x+$y
672	#}
673	wm deiconify $w
674
675	# Grab the focus
676	set oldFocus [focus]
677	set oldGrab [grab current $w]
678	if {[string compare $oldGrab ""]} {
679	set grabStatus [grab status $oldGrab]
680	}
681	grab $w
682	focus $w.bot.1
683	# for windows rearrange window stacking
684	# -- Removed since this will normally happen after the GSAS program
685	# has finished
686	#if {$tcl_platform(platform) == "windows"} {
687	#lower .
688	#raise $w .
689	#}
690	update idletasks
691
692	tkwait variable expgui(dialogbutton)
693	catch {focus $oldFocus}
694	destroy $w
695	if {[string compare $oldGrab ""]} {
696	if {![string compare $grabStatus "global"]} {
697	grab -global $oldGrab
698	} else {
699	grab $oldGrab
700	}
701	}
702	# for windows rearrange window stacking
703	#if {$tcl_platform(platform) == "windows"} {
704	#raise .
705	#}
706	return $expgui(dialogbutton)
707	}
708
709	# -------- called to confirm before exiting
710	proc catchQuit {} {
711	if {[confirmBeforeSave] == "Continue"} {
712	destroy .
713	}
714	}
715	# save the .EXP file before exiting?
716	proc confirmBeforeSave {} {
717	global expgui
718	if !$expgui(changed) {
719	return "Continue"
720	}
721	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
722	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
723	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
724	switch $decision {
725	0 { savearchiveexp; return "Continue" }
726	1 { return "Continue" }
727	2 { return "Cancel" }
728	}
729	}
730
731	# setup buttons for each phase on the phase page
732	proc setphases {} {
733	global expgui expmap
734	eval destroy [winfo children $expgui(phaseFrame).top.ps]
735	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
736	foreach num $expmap(phaselist) type $expmap(phasetype) {
737	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
738	-command "SelectOnePhase $num" -padx 1.5m] -side left
739	if {$type > 3} {
740	$expgui(phaseFrame).top.ps.$num config -state disabled
741	}
742	}
743	if {[file executable $expgui(exptool)] && \
744	[llength $expmap(phaselist)]} {
745	pack [button $expgui(phaseFrame).top.ps.10 \
746	-text "Replace" -command MakeReplacePhaseBox \
747	] -side left
748	}
749	}
750
751	# Procedure to respond to changes the phase.
752	# This loads the "phases" widgets with data corresponding to the selected phase.
753	proc SelectOnePhase {num} {
754	global entryvar entrycmd entrybox expmap expgui
755	set crsPhase {}
756	$expgui(atomxform) config -text "Xform Atoms" -state disabled
757	foreach n $expmap(phaselist) type $expmap(phasetype) {
758	if {$n == $num && $type <= 3} {
759	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
760	set crsPhase $num
761	if {$type == 3} {
762	set expgui(phasetype) "Magnetic\nOnly"
763	} elseif {$type == 2} {
764	set expgui(phasetype) "Magnetic\n& Nuclear"
765	} elseif {$type == 4} {
766	# this is not used at present
767	set expgui(phasetype) "Macromolecular"
768	} else {
769	set expgui(phasetype) ""
770	}
771	} else {
772	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
773	}
774	}
775	# no phase is selected
776	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
777	# disable traces on entryvar
778	set entrycmd(trace) 0
779	set entrycmd(phasename) ""
780	set entryvar(phasename) ""
781	foreach ent {a b c alpha beta gamma cellref celldamp} {
782	set entrycmd($ent) ""
783	set entryvar($ent) ""
784	}
785	set expgui(curPhase) {}
786	# enable traces on entryvar
787	set entrycmd(trace) 1
788	$expgui(EditingAtoms) config -text ""
789	DisplayAtom 0 0
790	DisplayU 0 0
791	DisplayRefFlags 0 0
792	$expgui(atomlistbox) delete 0 end
793	return
794	}
795
796	set expgui(curPhase) $crsPhase
797	# we have a phase
798
799	# disable traces on entryvar for right now
800	set entrycmd(trace) 0
801
802	##########################################################
803	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
804	##########################################################
805	# phase title
806	set entrycmd(phasename) "phaseinfo $crsPhase name"
807	set entryvar(phasename) [phaseinfo $crsPhase name]
808	# cell parameters & flags
809	foreach ent {a b c alpha beta gamma cellref celldamp} {
810	set entrycmd($ent) "phaseinfo $crsPhase $ent"
811	set entryvar($ent) [phaseinfo $crsPhase $ent]
812	# reset item to black
813	catch {$entrybox($ent) config -fg black}
814	}
815
816	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
817	# initialize to diasbled
818	DisplayAtom 0 0
819	DisplayU 0 0
820	DisplayRefFlags 0 0
821	$expgui(EditingAtoms) config -text ""
822
823	DisplayAllAtoms
824
825	# enable traces on entryvar now
826	set entrycmd(trace) 1
827	}
828
829	set expgui(noreenterDisplayAllAtoms) 0
830	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
831	proc DisplayAllAtoms {"mode reset"} {
832	global entryvar entrycmd expmap expgui
833	# if it does not show, dont bother
834	if {$expgui(pagenow) != "phaseFrame"} return
835	if {$expgui(curPhase) == ""} return
836	if $expgui(noreenterDisplayAllAtoms) return
837
838	set expgui(noreenterDisplayAllAtoms) 1
839	if {$mode != "reset"} {
840	# save the scrolled position
841	set pos [lindex [$expgui(atomlistbox) yview] 0]
842	} else {
843	# this is a reset -- clear the selected atoms list
844	set expgui(selectedatomlist) {}
845	}
846	$expgui(atomlistbox) delete 0 end
847	# loop over atoms
848	set maxline I
849	set phase $expgui(curPhase)
850	set atomlist {}
851	set typehead "type "
852	set namehead " name "
853	set multhead "Mult"
854	set coordhead " "
855	set frachead "Occupancy"
856	if {$expgui(asorttype) == "type"} {
857	# sort on atom type
858	set typehead "type* "
859	foreach atom $expmap(atomlist_$phase) {
860	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
861	}
862	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
863	} elseif {$expgui(asorttype) == "number"} {
864	# sort on atom number
865	set namehead "* name "
866	foreach atom $expmap(atomlist_$phase) {
867	lappend atomlist "$atom $atom $phase"
868	}
869	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
870	} elseif {$expgui(asorttype) == "mult"} {
871	# sort on atom number
872	set multhead "Mlt*"
873	foreach atom $expmap(atomlist_$phase) {
874	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
875	}
876	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
877	} elseif {$expgui(asorttype) == "occupancy"} {
878	# sort on atom number
879	set frachead " Occup* "
880	foreach atom $expmap(atomlist_$phase) {
881	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
882	}
883	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
884	} elseif {$expgui(asorttype) == "x"} {
885	# sort on x
886	set coordhead "(x*)"
887	foreach atom $expmap(atomlist_$phase) {
888	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
889	}
890	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
891	} elseif {$expgui(asorttype) == "y"} {
892	# sort on y
893	set coordhead "(y*)"
894	foreach atom $expmap(atomlist_$phase) {
895	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
896	}
897	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
898	} elseif {$expgui(asorttype) == "z"} {
899	# sort on z
900	set coordhead "(z*)"
901	foreach atom $expmap(atomlist_$phase) {
902	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
903	}
904	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
905	} else {
906	error "Bad expgui(asorttype) = $expgui(asorttype)"
907	}
908
909	foreach tuple $expmap(atomlistboxcontents) {
910	set atom [lindex $tuple 0]
911	set phase [lindex $tuple 2]
912	set refflag {}
913	foreach type {x u f} {
914	if {[atominfo $phase $atom ${type}ref]} {
915	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
916	} else {
917	append refflag " [atominfo $phase $atom ${type}damp] "
918	}
919	}
920	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
921	$atom \
922	[atominfo $phase $atom label] \
923	[atominfo $phase $atom type] \
924	$refflag \
925	[atominfo $phase $atom x] \
926	[atominfo $phase $atom y] \
927	[atominfo $phase $atom z] \
928	[atominfo $phase $atom mult] \
929	[atominfo $phase $atom frac]
930	]
931
932	# add temperature factors (iso/anoiso)
933	if {[atominfo $phase $atom temptype] == "A"} {
934	set maxline A
935	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
936	[atominfo $phase $atom U11] \
937	[atominfo $phase $atom U22] \
938	[atominfo $phase $atom U33] \
939	[atominfo $phase $atom U12] \
940	[atominfo $phase $atom U23] \
941	[atominfo $phase $atom U13]
942	]
943	} else {
944	append line [format " %9.5f" \
945	[atominfo $phase $atom Uiso]
946	]
947	}
948	$expgui(atomlistbox) insert end $line
949	}
950	$expgui(atomtitle) delete 0 end
951	if {$maxline == "A"} {
952	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
953	$namehead $typehead "ref/damp " \
954	"fractional coordinates$coordhead" \
955	"$multhead $frachead" \
956	" Uiso/Uij "]
957	} else {
958	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
959	$namehead $typehead "ref/damp " \
960	"fractional coordinates$coordhead" \
961	"$multhead $frachead" \
962	" Uiso"]
963	}
964	if {$mode != "reset"} {
965	# restore the selected items
966	foreach i $expgui(selectedatomlist) {
967	$expgui(atomlistbox) selection set $i
968	}
969	# restore the last scrolled position
970	$expgui(atomlistbox) yview moveto $pos
971	}
972	set expgui(noreenterDisplayAllAtoms) 0
973	}
974
975	# Procedure to select all atoms in response to a right-click
976	proc SelectAllAtoms {} {
977	global expgui
978	$expgui(atomlistbox) selection set 0 end
979	# call editRecord in case trace was called before the selection was made
980	editRecord
981	}
982
983	# Procedure to respond to left mouse release in the atoms Pane
984	proc editRecord { args } {
985	global entrycmd expgui
986	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
987	# disable traces on entryvar for right now
988	set entrycmd(trace) 0
989
990	if {[llength $expgui(selectedatomlist)] == 0} {
991	if $expgui(debug) {error "Attempt display non-existent atoms"}
992	} elseif {[llength $expgui(selectedatomlist)] == 1} {
993	editOneRecord $expgui(selectedatomlist)
994	} else {
995	editMultipleRecords $expgui(selectedatomlist)
996	}
997	# reenable traces on entryvar
998	set entrycmd(trace) 1
999	# repaint the atoms box in case anything was changed
1000	# DisplayAllAtoms noreset
1001	}
1002
1003	proc editOneRecord { AtomIndex } {
1004	global expmap expgui
1005	# get atom number & phase
1006	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1007	set atomnum [lindex $tuple 0]
1008	set p [lindex $tuple 2]
1009	DisplayU $atomnum $p
1010	DisplayAtom $atomnum $p
1011	DisplayRefFlags $atomnum $p
1012	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
1013	$expgui(atomxform) config -text "Xform Atom" -state normal
1014	}
1015
1016	# this will not work for a multi-phase list of atoms (yet)
1017	proc editMultipleRecords { AtomIndexList } {
1018	global expmap expgui
1019	set numberList {}
1020	# current phase
1021	set p $expgui(curPhase)
1022	foreach AtomIndex $AtomIndexList {
1023	# get atom number & phase
1024	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1025	lappend numberList [lindex $tuple 0]
1026	# set p [lindex $tuple 2]
1027	}
1028	# this needs to track by phase
1029	$expgui(EditingAtoms) config -text \
1030	"Set refinement options: atoms [CompressList $numberList]"
1031	DisplayU 0 0
1032	DisplayAtom 0 0
1033	# this needs to track by phase
1034	DisplayRefFlags $numberList $p
1035	$expgui(atomxform) config -text "Xform Atoms" -state normal
1036	}
1037
1038	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
1039	# becomes "1-4,6,7,13-15,19"
1040	proc CompressList {numberList} {
1041	# format the number list to save space
1042	set lastnum -99
1043	set flist {}
1044	set count 0
1045	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
1046	foreach num $sortlist {
1047	set next [expr $lastnum+1]
1048	if {$num != $next} {
1049	if {$count == 0 && $flist != ""} {
1050	append flist ",$num"
1051	} elseif {$count == 1 && $flist != ""} {
1052	append flist ",$lastnum,$num"
1053	} elseif {$flist != ""} {
1054	append flist "-$lastnum,$num"
1055	} else {
1056	append flist "$num"
1057	}
1058	set lastnum $num
1059	set count 0
1060	} else {
1061	incr count
1062	incr lastnum
1063	}
1064	}
1065	if {$count == 1 && $flist != ""} {
1066	append flist ",$lastnum"
1067	} elseif {$flist != "" && $count > 1} {
1068	append flist "-$lastnum"
1069	}
1070	return $flist
1071	}
1072
1073	# Procedure to display Isotropic or Anisotropic temperature factors
1074	# Changes the display to one entry widget for Isotropic motion OR
1075	# 6 entry widgets for Anisotropic motion in Frame3.
1076	# or disables the widet entirly if atom = 0
1077	proc DisplayU { atomnum p} {
1078	global expgui entryvar entrycmd
1079	if {$atomnum == 0} {
1080	set iOrA disable
1081	} else {
1082	set iOrA [atominfo $p $atomnum temptype]
1083	}
1084
1085	set firstbox [lindex $expgui(anisolabels) 0]
1086	if { $iOrA == "A" } {
1087	$firstbox config -text "U11 "
1088	foreach item $expgui(anisolabels) {
1089	$item config -fg black
1090	}
1091	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1092	set entrycmd($var) "atominfo $p $atomnum $var"
1093	set entryvar($var) [eval $entrycmd($var)]
1094	$item config -fg black -state normal -bg white
1095	}
1096	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1097	foreach item $expgui(anisolabels) {
1098	$item config -fg $expgui(bkgcolor1)
1099	}
1100	foreach item [lrange $expgui(anisoentry) 1 end] \
1101	var {U22 U33 U12 U13 U23} {
1102	set entrycmd($var) ""
1103	set entryvar($var) ""
1104	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1105	-state disabled
1106	}
1107	if { $iOrA == "disable"} {
1108	set entrycmd($var) ""
1109	set entryvar($var) ""
1110	[lindex $expgui(anisoentry) 0] config \
1111	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1112	-state disabled
1113	} else {
1114	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1115	set entryvar(U11) [eval $entrycmd(U11)]
1116	$firstbox config -text Uiso -fg black
1117	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1118	}
1119	}
1120	}
1121
1122	# need to think about multiple phases
1123
1124	# Procedure to display refinement flags
1125	proc DisplayRefFlags { atomnum p} {
1126	global expgui entryvar entrycmd
1127	if {$atomnum == 0} {
1128	foreach label $expgui(atomreflbl) {
1129	$label config -fg $expgui(bkgcolor1)
1130	}
1131	foreach entry $expgui(atomref) {
1132	$entry config -state disabled \
1133	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1134	# turn off checkbuttons
1135	catch {$entry deselect}
1136
1137	}
1138	return
1139	}
1140	foreach label $expgui(atomreflbl) {
1141	$label config -fg black
1142	}
1143	foreach entry $expgui(atomref) {
1144	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1145	}
1146	foreach var {xref uref fref xdamp udamp fdamp} {
1147	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1148	set entryvar($var) [eval $entrycmd($var)]
1149	}
1150	}
1151
1152	# Procedure to display an atom in the atom edit boxes
1153	proc DisplayAtom { atomnum p} {
1154	global expgui entryvar entrycmd
1155	if {$atomnum == 0} {
1156	foreach label $expgui(atomlabels) {
1157	$label config -fg $expgui(bkgcolor1)
1158	}
1159	foreach entry $expgui(atomentry) {
1160	$entry config -state disabled \
1161	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1162	}
1163	return
1164	}
1165	foreach label $expgui(atomlabels) {
1166	$label config -fg black
1167	}
1168	foreach entry $expgui(atomentry) {
1169	$entry config -state normal -fg black -bg white
1170	}
1171	foreach var {x y z label frac } {
1172	set entrycmd($var) "atominfo $p $atomnum $var"
1173	set entryvar($var) [eval $entrycmd($var)]
1174	}
1175	}
1176
1177	# make a histogram box; used in MakeHistPane,
1178	proc MakeHistBox {frm} {
1179	global expgui
1180	grid [label $frm.mode -text "Select a Histogram" \
1181	-bg beige -anchor center] \
1182	-row 0 -column 0 -columnspan 2 -sticky ew
1183	bind $frm.mode <Button-1> {
1184	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1185	set expgui(globalmode) [lindex \
1186	"$expgui(AllowedHistSelectModes) \
1187	$expgui(AllowedHistSelectModes)" [incr i]]
1188	sethistlist
1189	}
1190	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1191	grid [listbox $frm.title -height 1 -relief flat \
1192	-exportselection 0 ] -row 1 -column 0 -sticky ew
1193	grid [listbox $frm.lbox -height 10 -width 25 \
1194	-exportselection 0 \
1195	-xscrollcommand "$frm.x set" \
1196	-yscrollcommand "$frm.y set" \
1197	] -row 2 -column 0 -sticky news
1198	lappend expgui(HistSelectList) $frm
1199	grid [scrollbar $frm.x -orient horizontal \
1200	-command "move2boxesX \" $frm.title $frm.lbox \" "
1201	] -row 3 -column 0 -sticky ew
1202	grid [scrollbar $frm.y \
1203	-command "$frm.lbox yview"] \
1204	-row 2 -column 1 -sticky ns
1205	grid columnconfigure $frm 0 -weight 1
1206	grid rowconfigure $frm 2 -weight 1
1207	}
1208
1209	# update the histogram list
1210	# to do: show histogram ref flags?
1211	proc sethistlist {} {
1212	global expgui expmap
1213	array set lbl {
1214	1 "Select 1 or more\nTOF Histograms"
1215	2 "Select 1 or more\nCW Neutron Histograms"
1216	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1217	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1218	5 "Select 1 or more Energy\nDispersive X-ray Histograms"
1219	6 "Select 1 or more of\n any type Histograms"
1220	}
1221	foreach lbox $expgui(HistSelectList) {
1222	$lbox.title delete 0 end
1223	$lbox.lbox delete 0 end
1224	if {$expgui(globalmode) != 0} {
1225	$lbox.lbox config -selectmode extended
1226	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1227	} else {
1228	$lbox.lbox config -selectmode browse
1229	$lbox.mode config -text "Select a histogram" -bg beige
1230	}
1231	}
1232	# disable the unallowed pages in all mode
1233	if {$expgui(globalmode) == 6} {
1234	foreach pair $expgui(GlobalModeAllDisable) {
1235	if {$expgui(pagenow) == [lindex $pair 0]} {
1236	RaisePage lsFrame
1237	}
1238	eval [lindex $pair 1] -state disabled
1239	}
1240	} else {
1241	foreach pair $expgui(GlobalModeAllDisable) {
1242	eval [lindex $pair 1] -state normal
1243	}
1244	}
1245	set histlist {}
1246	if {$expgui(hsorttype) == "type"} {
1247	# sort on histogram type
1248	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1249	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1250	}
1251	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1252	} elseif {$expgui(hsorttype) == "number"} {
1253	# sort on histogram number
1254	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1255	lappend histlist "$h $h"
1256	}
1257	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1258	} elseif {$expgui(hsorttype) == "bank"} {
1259	# sort on original bank number
1260	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1261	lappend histlist "$h [histinfo $h bank]"
1262	}
1263	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1264	} elseif {$expgui(hsorttype) == "angle"} {
1265	# sort on wavelength (CW) or angle (E disp.)
1266	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1267	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1268	set det [format %8.2f [histinfo $h tofangle]]
1269	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1270	set det [format %8.5f [histinfo $h lam1]]
1271	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1272	set det [format %8.2f [histinfo $h lam1]]
1273	} else {
1274	set det {}
1275	}
1276	lappend histlist "$h $det"
1277	}
1278	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1279	}
1280
1281	# title field needs to match longest title
1282	foreach lbox $expgui(HistSelectList) {
1283	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1284	"h#" \
1285	type \
1286	bank \
1287	"ang/wave" \
1288	" title" \
1289	]
1290	}
1291	foreach tuple $expmap(histlistboxcontents) {
1292	set h [lindex $tuple 0]
1293
1294	if {$expgui(globalmode) == 1} {
1295	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1296	} elseif {$expgui(globalmode) == 2} {
1297	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1298	} elseif {$expgui(globalmode) == 3} {
1299	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1300	[histinfo $h lam2] == 0.0} continue
1301	} elseif {$expgui(globalmode) == 4} {
1302	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1303	[histinfo $h lam2] != 0.0} continue
1304	} elseif {$expgui(globalmode) == 5} {
1305	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1306	}
1307
1308	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1309	set det [format %8.2f [histinfo $h tofangle]]
1310	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1311	set det [format %8.5f [histinfo $h lam1]]
1312	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1313	set det [format %8.2f [histinfo $h lam1]]
1314	} else {
1315	set det {}
1316	}
1317	foreach lbox $expgui(HistSelectList) {
1318	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1319	$h \
1320	[string range $expmap(htype_$h) 1 3] \
1321	[histinfo $h bank] \
1322	$det \
1323	[string range [histinfo $h title] 0 66] \
1324	]
1325	}
1326	}
1327	UpdateCurrentPage
1328	}
1329
1330	proc UpdateCurrentPage {} {
1331	global expgui
1332	foreach set $expgui(frameactionlist) {
1333	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1334	}
1335	}
1336
1337	#-----------------------------------------------------------------------
1338	# ----------- draw Histogram page
1339	#-----------------------------------------------------------------------
1340	proc DisplayHistogram {} {
1341	global expgui entrycmd entryvar entrybox expmap
1342
1343	# trap if more than one histogram is selected unless global mode
1344	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1345	set expgui(curhist) [lindex $expgui(curhist) 0]
1346	}
1347
1348	# disable the add histogram button if no phases are present
1349	catch {
1350	foreach c [winfo children $expgui(histFrame).bb] {
1351	if {[llength $expmap(phaselist)] == 0} {
1352	$c configure -state disabled
1353	} else {
1354	$c configure -state normal
1355	}
1356	}
1357	}
1358
1359	# display the selected histograms
1360	$expgui(histFrame).hs.lbox selection clear 0 end
1361	foreach h $expgui(curhist) {
1362	$expgui(histFrame).hs.lbox selection set $h
1363	}
1364
1365	# disable traces on entryvar for right now
1366	set entrycmd(trace) 0
1367
1368	# get histogram list
1369	set histlist {}
1370	foreach item $expgui(curhist) {
1371	lappend histlist [lindex $expmap(powderlist) $item]
1372	}
1373	# must have at least one histogram selected here
1374	if {[llength $histlist] == 0} {
1375	set expgui(backtermlbl) ""
1376	set expgui(backtypelbl) ""
1377	foreach var {bref bdamp} {
1378	set entrycmd($var) ""
1379	set entryvar($var) ""
1380	}
1381	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1382	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1383	set expgui(bkglbl) ""
1384	eval destroy [winfo children $expgui(diffBox)]
1385	set entrycmd(trace) 1
1386	return
1387	}
1388
1389	if {$expgui(globalmode) != 0} {
1390	set expgui(backtermlbl) ""
1391	set expgui(backtypelbl) ""
1392	foreach var {bref bdamp} {
1393	set entrycmd($var) "histinfo [list $histlist] $var"
1394	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1395	}
1396	} else {
1397	set hist $histlist
1398	set terms [histinfo $hist backterms]
1399	set expgui(backtermlbl) "($terms terms)"
1400	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1401	foreach var {bref bdamp} {
1402	set entrycmd($var) "histinfo $hist $var"
1403	set entryvar($var) [eval $entrycmd($var)]
1404	}
1405	}
1406	# Top box
1407	if $expgui(haveBW) {
1408	catch {destroy $expgui(histFrame).pflag}
1409	}
1410	if {$expgui(globalmode) != 0} {
1411	$expgui(histFrame).top.txt config \
1412	-text "Selected Histograms: [CompressList $histlist]"
1413	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1414	set expgui(bkglbl) "Globally Edit Background"
1415	} else {
1416	grid forget $expgui(histFrame).top
1417	set expgui(bkglbl) "Edit Background"
1418	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1419	TitleFrame $expgui(histFrame).pflag \
1420	-borderwidth 4 -side left -relief groove \
1421	-text "Phase Flags"
1422	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1423	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1424	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1425	foreach p $expmap(phaselist) {
1426	pack [checkbutton $expgui(pflag).$p \
1427	-command "GetPhaseFlags $hist" \
1428	-variable expgui(pflag$p) -text $p] -side left
1429	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1430	set expgui(pflag$p) 0
1431	} else {
1432	set expgui(pflag$p) 1
1433	}
1434	}
1435	}
1436	}
1437
1438	# diffractometer constants
1439	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1440	wref pref dcref daref ratref ttref zref } {
1441	set entrycmd($var) "histinfo [list $histlist] $var"
1442	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1443	}
1444
1445	eval destroy [winfo children $expgui(diffBox)]
1446	if {$expgui(globalmode) == 0} {
1447	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1448	#------
1449	# TOF \|
1450	#------
1451	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1452	-column 1 -row 1
1453	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1454	-column 2 -row 1
1455	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1456	-column 3 -row 1 -sticky w
1457	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1458	-width 15 ] -column 4 -row 1
1459	set entrybox(lam1) $expgui(diffBox).eDCdifc
1460	#
1461	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1462	-column 1 -row 2
1463	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1464	-column 2 -row 2
1465	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1466	-column 3 -row 2
1467	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1468	-width 15 ] -column 4 -row 2
1469	set entrybox(lam2) $expgui(diffBox).eDCdifa
1470	#
1471	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1472	-column 3 -row 3
1473	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1474	-width 15 ] -column 4 -row 3
1475	set entrybox(zero) $expgui(diffBox).eDCzero
1476	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1477	-column 1 -row 3 -sticky w
1478	grid [ checkbutton $expgui(diffBox).rfDCzref \
1479	-variable entryvar(zref) ] -column 2 -row 3
1480	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1481	#---------------
1482	# CW - neutron \|
1483	#---------------
1484	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1485	-column 1 -row 1
1486	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1487	-column 2 -row 1
1488	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1489	-column 3 -row 1 -sticky w
1490	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1491	-width 15 ] -column 4 -row 1
1492	set entrybox(lam1) $expgui(diffBox).eDCdifc
1493	#
1494	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1495	-column 1 -row 3 -sticky w
1496	grid [ checkbutton $expgui(diffBox).rfDCzref \
1497	-variable entryvar(zref) ] -column 2 -row 3
1498	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1499	-column 3 -row 3
1500	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1501	-width 15 ] -column 4 -row 3
1502	set entrybox(zero) $expgui(diffBox).eDCzero
1503	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1504	[histinfo $hist lam2] == 0.0} {
1505	#--------------------------
1506	# CW - x-ray 1 wavelength \|
1507	#--------------------------
1508	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1509	-column 1 -row 1
1510	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1511	-column 2 -row 1
1512	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1513	-column 3 -row 1 -sticky w
1514	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1515	-width 15 ] -column 4 -row 1
1516	set entrybox(lam1) $expgui(diffBox).eDCdifc
1517	#
1518	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1519	-column 1 -row 3 -sticky w
1520	grid [ checkbutton $expgui(diffBox).rfDCzref \
1521	-variable entryvar(zref) ] -column 2 -row 3
1522	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1523	-column 3 -row 3
1524	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1525	-width 15 ] -column 4 -row 3
1526	set entrybox(zero) $expgui(diffBox).eDCzero
1527	#
1528	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1529	-column 1 -row 4 -sticky w
1530	grid [ checkbutton $expgui(diffBox).rfDCpref \
1531	-variable entryvar(pref) ] -column 2 -row 4
1532	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1533	-column 3 -row 4
1534	grid [ entry $expgui(diffBox).eDCpola \
1535	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1536	set entrybox(pola) $expgui(diffBox).eDCpola
1537	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1538	-column 5 -row 4
1539	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1540	-textvariable entryvar(ipola)] -column 6 -row 4
1541	set entrybox(ipola) $expgui(diffBox).eDCipola
1542	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1543	#---------------------------
1544	# CW - x-ray 2 wavelengths \|
1545	#---------------------------
1546	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1547	-column 3 -row 1 -sticky w
1548	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1549	-width 15 ] -column 4 -row 1
1550	set entrybox(lam1) $expgui(diffBox).eDCdifc
1551	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1552	-width 15 ] -column 5 -row 1
1553	set entrybox(lam2) $expgui(diffBox).eDCdifa
1554	#
1555	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1556	-column 1 -row 2 -sticky w
1557	grid [ checkbutton $expgui(diffBox).rfDCrref \
1558	-variable entryvar(ratref) ] -column 2 -row 2
1559	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1560	-column 3 -row 2
1561	grid [ entry $expgui(diffBox).eDCkratio \
1562	-textvariable entryvar(kratio) \
1563	-width 15 ] -column 4 -row 2
1564	set entrybox(kratio) $expgui(diffBox).eDCkratio
1565	#
1566	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1567	-column 3 -row 3
1568	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1569	-width 15 ] -column 4 -row 3
1570	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1571	-column 1 -row 3 -sticky w
1572	set entrybox(zero) $expgui(diffBox).eDCzero
1573	grid [ checkbutton $expgui(diffBox).rfDCzref \
1574	-variable entryvar(zref) ] -column 2 -row 3
1575	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1576	-column 1 -row 4 -sticky w
1577	grid [ checkbutton $expgui(diffBox).rfDCpref \
1578	-variable entryvar(pref) ] -column 2 -row 4
1579	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1580	-column 3 -row 4
1581	grid [ entry $expgui(diffBox).eDCpola \
1582	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1583	set entrybox(pola) $expgui(diffBox).eDCpola
1584	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1585	-column 5 -row 4
1586	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1587	-textvariable entryvar(ipola)] -column 6 -row 4
1588	set entrybox(ipola) $expgui(diffBox).eDCipola
1589	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1590	#-------------
1591	# ED - x-ray \|
1592	#-------------
1593	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1594	-column 1 -row 1
1595	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1596	-column 2 -row 1
1597	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1598	-column 3 -row 1 -sticky w
1599	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1600	-width 15 ] -column 4 -row 1
1601	set entrybox(lam1) $expgui(diffBox).eDCdifc
1602	#
1603	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1604	-column 1 -row 4 -sticky w
1605	grid [ checkbutton $expgui(diffBox).rfDCpref \
1606	-variable entryvar(pref) ] -column 2 -row 4
1607	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1608	-column 3 -row 4
1609	grid [ entry $expgui(diffBox).eDCpola \
1610	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1611	set entrybox(pola) $expgui(diffBox).eDCpola
1612	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1613	-column 5 -row 4
1614	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1615	-textvariable entryvar(ipola)] -column 6 -row 4
1616	set entrybox(ipola) $expgui(diffBox).eDCipola
1617	}
1618	} elseif {$expgui(globalmode) == 1} {
1619	#-------------
1620	# Global TOF \|
1621	#-------------
1622	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1623	-column 1 -row 1
1624	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1625	-column 2 -row 1
1626	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1627	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1628	#
1629	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1630	-column 1 -row 2
1631	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1632	-column 2 -row 2
1633	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1634	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1635	#
1636	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1637	-column 1 -row 3 -sticky w
1638	grid [ checkbutton $expgui(diffBox).rfDCzref \
1639	-variable entryvar(zref) ] -column 2 -row 3
1640	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1641	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1642	} elseif {$expgui(globalmode) == 2} {
1643	#--------------------
1644	# Global CW neutron \|
1645	#--------------------
1646	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1647	-column 1 -row 1
1648	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1649	-column 2 -row 1
1650	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1651	-command "editglobalparm histinfo lam1 Wavelength"] \
1652	-column 3 -row 1
1653	#
1654	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1655	-column 1 -row 3 -sticky w
1656	grid [ checkbutton $expgui(diffBox).rfDCzref \
1657	-variable entryvar(zref) ] -column 2 -row 3
1658	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1659	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1660	} elseif {$expgui(globalmode) == 4} {
1661	#----------------------
1662	# Global CW mono xray \|
1663	#----------------------
1664	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1665	-column 1 -row 1
1666	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1667	-column 2 -row 1
1668	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1669	-command "editglobalparm histinfo lam1 Wavelength"] \
1670	-column 3 -row 1
1671	#
1672	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1673	-column 1 -row 3 -sticky w
1674	grid [ checkbutton $expgui(diffBox).rfDCzref \
1675	-variable entryvar(zref) ] -column 2 -row 3
1676	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1677	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1678	#
1679	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1680	-column 1 -row 4 -sticky w
1681	grid [ checkbutton $expgui(diffBox).rfDCpref \
1682	-variable entryvar(pref) ] -column 2 -row 4
1683	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1684	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1685	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1686	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1687	} elseif {$expgui(globalmode) == 3} {
1688	#------------------------
1689	# Global alpha 1,2 xray \|
1690	#------------------------
1691	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1692	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1693	-column 3 -row 1
1694	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1695	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1696	-column 4 -row 1
1697	#
1698	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1699	-column 1 -row 3 -sticky w
1700	grid [ checkbutton $expgui(diffBox).rfDCratref \
1701	-variable entryvar(ratref) ] -column 2 -row 3
1702	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1703	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1704	-column 3 -row 3
1705	#
1706	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1707	-column 1 -row 3 -sticky w
1708	grid [ checkbutton $expgui(diffBox).rfDCzref \
1709	-variable entryvar(zref) ] -column 2 -row 3
1710	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1711	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1712	#
1713	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1714	-column 1 -row 4 -sticky w
1715	grid [ checkbutton $expgui(diffBox).rfDCpref \
1716	-variable entryvar(pref) ] -column 2 -row 4
1717	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1718	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1719	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1720	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1721	} elseif {$expgui(globalmode) == 5} {
1722	#-----------------
1723	# Global ED xray \|
1724	#-----------------
1725	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1726	-column 1 -row 1
1727	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1728	-column 2 -row 1
1729	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1730	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1731	-column 3 -row 1
1732	#
1733	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1734	-column 1 -row 4 -sticky w
1735	grid [ checkbutton $expgui(diffBox).rfDCpref \
1736	-variable entryvar(pref) ] -column 2 -row 4
1737	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1738	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1739	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1740	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1741	}
1742	if {$expgui(globalmode) == 0} {
1743	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1744	-columnspan 2 -sticky e
1745	} else {
1746	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1747	-columnspan 2 -sticky e
1748	}
1749	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1750	-column 1 -row 1
1751	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1752	grid $expgui(diffBox).d.om -column 2 -row 1
1753	grid columnconfigure $expgui(diffBox) 9 -weight 1
1754	grid columnconfigure $expgui(diffBox) 0 -weight 1
1755	update idletasks
1756	# enable traces on entryvar now
1757	set entrycmd(trace) 1
1758	}
1759
1760	# this gets the phase flags as set in the expgui(pflag*) elements
1761	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1762	# accordingly using SetPhaseFlag
1763	proc GetPhaseFlags {hist} {
1764	global expmap expgui
1765	set plist {}
1766	foreach p $expmap(phaselist) {
1767	if {$expgui(pflag$p)} {lappend plist $p}
1768	}
1769	SetPhaseFlag $hist $plist
1770	incr expgui(changed)
1771	mapexp
1772	}
1773
1774	#-----------------------------------------------------------------------
1775	# populate the Scaling page
1776	#-----------------------------------------------------------------------
1777	proc DisplayFrac {} {
1778	global expgui entrycmd entryvar entrybox expmap
1779
1780	# trap if more than one histogram is selected unless global mode
1781	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1782	set expgui(curhist) [lindex $expgui(curhist) 0]
1783	}
1784
1785	# display the selected histograms
1786	$expgui(fracFrame).hs.lbox selection clear 0 end
1787	foreach h $expgui(curhist) {
1788	$expgui(fracFrame).hs.lbox selection set $h
1789	}
1790
1791	# disable traces on entryvar
1792	set entrycmd(trace) 0
1793
1794	# get histogram list
1795	set histlist {}
1796	foreach item $expgui(curhist) {
1797	lappend histlist [lindex $expmap(powderlist) $item]
1798	}
1799
1800	# must have at least one histogram selected here
1801	if {[llength $histlist] == 0} {
1802	foreach var {scale sref sdamp} {
1803	set entrycmd($var) ""
1804	set entryvar($var) ""
1805	}
1806	set parm [grid info $expgui(scaleBox).but1]
1807	if {$parm != ""} {
1808	grid forget $expgui(scaleBox).but1
1809	eval grid $expgui(scaleBox).ent1 $parm
1810	}
1811	# destroy the contents of the frame
1812	set phaseFractf1 $expgui(FracBox).f
1813	eval destroy [winfo children $phaseFractf1]
1814	# reenable traces on entryvar
1815	set entrycmd(trace) 1
1816	return
1817	}
1818
1819	#--------------
1820	# Scale factor
1821	#--------------
1822	if {$expgui(globalmode) != 0} {
1823	foreach var {scale sref sdamp} {
1824	set entrycmd($var) "histinfo [list $histlist] $var"
1825	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1826	}
1827	# reset scale to black
1828	catch {$entrybox(scale) config -fg black}
1829	set parm [grid info $expgui(scaleBox).ent1]
1830	if {$parm != ""} {
1831	grid forget $expgui(scaleBox).ent1
1832	eval grid $expgui(scaleBox).but1 $parm
1833	}
1834	} else {
1835	set hist $histlist
1836	foreach var {scale sref sdamp} {
1837	set entrycmd($var) "histinfo $hist $var"
1838	set entryvar($var) [eval $entrycmd($var)]
1839	}
1840	# reset scale to black
1841	catch {$entrybox(scale) config -fg black}
1842	set parm [grid info $expgui(scaleBox).but1]
1843	if {$parm != ""} {
1844	grid forget $expgui(scaleBox).but1
1845	eval grid $expgui(scaleBox).ent1 $parm
1846	}
1847	}
1848
1849	#----------------
1850	# Phase Fractions
1851	#----------------
1852	set phaseFractf1 $expgui(FracBox).f
1853	# destroy the contents of the frame
1854	eval destroy [winfo children $phaseFractf1]
1855	if {$expgui(globalmode) != 0} {
1856	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1857	} else {
1858	set txt "Phase Fractions"
1859	}
1860	if $expgui(haveBW) {
1861	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1862	} else {
1863	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1864	-column 0 -row 0 -sticky news
1865	}
1866	# Create the frame inside the canvas, One frame for each Phase.
1867	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1868	foreach hist $histlist {
1869	foreach i $expmap(phaselist_$hist) {
1870	lappend phasehistlist($i) $hist
1871	}
1872	}
1873	foreach i {1 2 3 4 5 6 7 8 9} {
1874	if {[llength $phasehistlist($i)] == 0} continue
1875	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1876	grid $framePF -column 0 -row $i -sticky ew
1877	# Label Heading for each phase.
1878	if {$expgui(globalmode) != 0} {
1879	grid [label $framePF.l1 \
1880	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1881	-column 0 -row 0 -sticky nws
1882	grid [button $framePF.but1 -text "Set Globally" \
1883	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1884	[list $phasehistlist($i)] $i" \
1885	] -column 1 -row 0
1886	} else {
1887	grid [label $framePF.l1 -text "Phase $i"] \
1888	-column 0 -row 0 -sticky nws
1889	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1890	-column 1 -row 0
1891	set entrybox(frac$i) $framePF.ent
1892	}
1893	set entrycmd(frac$i) "hapinfo $hist $i frac"
1894	set entryvar(frac$i) [hapinfo $hist $i frac]
1895	grid [label $framePF.l2 -text " Refine"] \
1896	-column 2 -row 0 -sticky nws
1897	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1898	-column 3 -row 0 -sticky nws
1899	set entrycmd(frref$i) "hapinfo $hist $i frref"
1900	set entryvar(frref$i) [hapinfo $hist $i frref]
1901	grid [label $framePF.l3 -text " Damping"] \
1902	-column 4 -row 0 -sticky nws
1903	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1904	0 1 2 3 4 5 6 7 8 9
1905	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1906	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1907	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1908	}
1909	# resize the scroll window to match the actual
1910	update idletasks
1911	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1912	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1913	update idletasks
1914	# enable traces on entryvar now
1915	set entrycmd(trace) 1
1916	}
1917
1918	#-----------------------------------------------------------------------
1919	# display the profile page
1920	#-----------------------------------------------------------------------
1921	proc DisplayProfile {} {
1922	global expgui entrycmd entryvar entrybox expmap
1923
1924	# trap if more than one histogram is selected unless global mode
1925	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1926	set expgui(curhist) [lindex $expgui(curhist) 0]
1927	}
1928	# display the selected histograms
1929	$expgui(profFrame).hs.lbox selection clear 0 end
1930	foreach h $expgui(curhist) {
1931	$expgui(profFrame).hs.lbox selection set $h
1932	}
1933
1934	# destroy the contents of the frame
1935	eval destroy [winfo children $expgui(ProfileBox).f]
1936	# since the next steps can take a while, do a screen update
1937	update idletasks
1938
1939	if {$expgui(globalmode) == 0} {
1940	# must have at least one histogram selected here
1941	if {[llength $expgui(curhist)] == 0} return
1942	# disable traces on entryvar for right now
1943	set entrycmd(trace) 0
1944	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1945	# no defined histograms?
1946	if {$hist == ""} return
1947	# Create one frame for each Phase.
1948	set ind -1
1949	set htype [string range $expmap(htype_$hist) 2 2]
1950	foreach i $expmap(phaselist_$hist) {
1951	incr ind
1952	# Label Heading for each phase.
1953	set ptype [string trim [hapinfo $hist $i proftype]]
1954	if {$expgui(haveBW)} {
1955	grid [TitleFrame $expgui(ProfileBox).f.$i \
1956	-text "Hist $hist -- Phase $i (type $ptype)" \
1957	-relief groove -bd 2] \
1958	-column 0 -row $ind -sticky ew
1959	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1960	grid [frame $ProfileFrame.1] \
1961	-column 0 -row 0 -columnspan 10
1962	pack [label $ProfileFrame.1.l \
1963	-text Damping]\
1964	-side left
1965	} else {
1966	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1967	-column 0 -row $ind -sticky ew
1968	set ProfileFrame $expgui(ProfileBox).f.$i
1969	grid [frame $ProfileFrame.1] \
1970	-column 0 -row 0 -columnspan 10 -sticky ew
1971	pack [label $ProfileFrame.1.l \
1972	-text "Phase $i (type $ptype) Damping"]\
1973	-side left
1974	}
1975	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1976	0 1 2 3 4 5 6 7 8 9
1977	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1978	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1979	pack $ProfileFrame.1.tkOptDamp -side left
1980	pack [label $ProfileFrame.1.l1 \
1981	-text " Peak cutoff"]\
1982	-side left
1983	pack [entry $ProfileFrame.1.e1 \
1984	-width 10 -textvariable entryvar(pcut_$i)]\
1985	-side left
1986	set entrybox(pcut_$i) $ProfileFrame.1.e1
1987	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1988	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1989
1990	pack [button $ProfileFrame.1.b1 \
1991	-text "Change Type" \
1992	-command "ChangeProfileType $hist $i"]\
1993	-side left
1994
1995	set col -1
1996	set row 1
1997	set nterms [hapinfo $hist $i profterms]
1998	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1999	for { set num 1 } { $num <= $nterms } { incr num } {
2000	set term {}
2001	catch {set term [lindex $lbls $num]}
2002	if {$term == ""} {set term $num}
2003	incr col
2004	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
2005	-row $row -column $col
2006	incr col
2007	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2008	-variable entryvar(pref${num}_$i)] -row $row -column $col
2009	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
2010	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
2011	incr col
2012	grid [entry $ProfileFrame.ent${num}_${i} \
2013	-textvariable entryvar(pterm${num}_$i)\
2014	-width 12] -row $row -column $col
2015	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
2016	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
2017	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
2018	if {$col > 6} {set col -1; incr row}
2019	}
2020	}
2021	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2022	} else {
2023	# get histogram list
2024	set histlist {}
2025	foreach item $expgui(curhist) {
2026	lappend histlist [lindex $expmap(powderlist) $item]
2027	}
2028	# must have at least one histogram selected here
2029	if {[llength $histlist] == 0} return
2030	# disable traces on entryvar for right now
2031	set entrycmd(trace) 0
2032	# loop through histograms & phases, set up an array by phase & profile type
2033	catch {unset prtyparray histarray phasearray}
2034	foreach hist $histlist {
2035	foreach phase $expmap(phaselist_$hist) {
2036	set prtyp [string trim [hapinfo $hist $phase proftype]]
2037	set key ${prtyp}_$phase
2038	lappend prtyparray($key) $hist
2039	lappend histarray($key) $hist
2040	lappend phasearray($key) $phase
2041	}
2042	}
2043
2044	set ptype ""
2045	set i -1
2046	# loop over all combined phases and profile types, sorted 1st by profile number
2047	foreach key [lsort [array names prtyparray]] {
2048	# split key
2049	scan $key %d_%d prftyp p
2050
2051	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
2052	set ptype $prftyp
2053	set curhistlist $histarray($key)
2054	set curphaslist $phasearray($key)
2055
2056	set hist1 [lindex $curhistlist 0]
2057	set phase1 [lindex $curphaslist 0]
2058	set nterms [hapinfo $hist1 $phase1 profterms]
2059	set htype [string range $expmap(htype_$hist1) 2 2]
2060	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
2061	# Create a frame for this type
2062	incr i
2063	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
2064	if {$expgui(haveBW)} {
2065	grid [TitleFrame $expgui(ProfileBox).f.$i \
2066	-text "(type $ptype)" \
2067	-relief groove -bd 2] \
2068	-column 0 -row $i -sticky ew
2069	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2070	grid [frame $ProfileFrame.0] \
2071	-column 0 -row 0 -columnspan 20 -sticky ew
2072	} else {
2073	grid [frame $expgui(ProfileBox).f.$i \
2074	-relief groove -bd 4] \
2075	-column 0 -row $i -sticky ew
2076	set ProfileFrame $expgui(ProfileBox).f.$i
2077	grid [frame $ProfileFrame.0] \
2078	-column 0 -row 0 -columnspan 20 -sticky ew
2079	grid [label $ProfileFrame.0.0 \
2080	-text "Profile Type $ptype "] -row 0 -column 0
2081	}
2082	grid [label $ProfileFrame.0.1 \
2083	-anchor w] -row 0 -column 1
2084	grid [frame $ProfileFrame.1] \
2085	-column 0 -row 1 -columnspan 20 -sticky ew
2086	grid [label $ProfileFrame.1.2 \
2087	-text "Damping"] -row 0 -column 2
2088	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2089	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2090	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2091	grid [button $ProfileFrame.1.edit \
2092	-text "Global Edit"] -row 0 -column 4 -sticky w
2093	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2094	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2095	-row 0 -column 5 -sticky w
2096	set col -1
2097	set row 2
2098	for { set num 1 } { $num <= $nterms } { incr num } {
2099	set term {}
2100	catch {set term [lindex $lbls $num]}
2101	if {$term == ""} {set term $num}
2102	incr col
2103	grid [label $ProfileFrame.l${num}_${i} \
2104	-text "$term"] -row $row -column $col
2105	incr col
2106	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2107	-variable entryvar(pref${num}_$i)] \
2108	-row $row -column $col
2109	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2110	if {$col > 10} {set col -1; incr row}
2111	}
2112	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2113	} else {
2114	# add to the current entry
2115	eval lappend curhistlist $histarray($key)
2116	eval lappend curphaslist $phasearray($key)
2117	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2118	}
2119	$ProfileFrame.0.1 config -text $boxtitle
2120	$ProfileFrame.1.edit config -command "\
2121	EditProfile \"\n$boxtitle\" \
2122	[list $curhistlist] \
2123	[list $curphaslist]"
2124	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2125	[list $curhistlist] [list $curphaslist]"
2126	set entrycmd(pdamp_$i) "hapinfo \
2127	[list $curhistlist] \
2128	[list $curphaslist] pdamp"
2129	for { set num 1 } { $num <= $nterms } { incr num } {
2130	set entrycmd(pref${num}_$i) "hapinfo \
2131	[list $curhistlist] \
2132	[list $curphaslist] pref$num"
2133	}
2134	}
2135	}
2136
2137	# resize the scroll window to match the actual
2138	update idletasks
2139	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2140	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2141	update idletasks
2142	ResizeNotebook
2143	# enable traces on entryvar now
2144	set entrycmd(trace) 1
2145	}
2146
2147	# process the bit settings in the print options
2148	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2149	proc printsetting {bitnum "action get" "value {}"} {
2150	global entryvar expgui
2151	if {$action == "get"} {
2152	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2153	} elseif $value {
2154	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2155	} else {
2156	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2157	}
2158	expinfo print set $newval
2159	set expgui(printopt) "Print Options ([expinfo print])"
2160	}
2161
2162	# need to respond to mouse presses -- control variable associated with extract Fobs
2163	# and set the LeBail extraction flags
2164	proc SetupExtractHist {} {
2165	global expgui entrycmd entryvar expmap
2166
2167	# display the selected histograms
2168	$expgui(lsFrame).hs.lbox selection clear 0 end
2169	foreach h $expgui(curhist) {
2170	$expgui(lsFrame).hs.lbox selection set $h
2171	}
2172
2173	# get histogram list
2174	set histlist {}
2175	foreach item $expgui(curhist) {
2176	set hist [lindex $expmap(powderlist) $item]
2177	if {$hist != ""} {lappend histlist $hist}
2178	}
2179	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2180	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2181	set entrycmd(LBdamp) ""
2182	foreach phase {1 2 3 4 5 6 7 8 9} {
2183	$expgui(FobsExtractFrame).l$phase config -fg grey
2184	set expgui(Fextract$phase) {}
2185	foreach item $expgui(ExtractSettingsRadiobuttons) {
2186	${item}$phase config -state disabled -bd 1
2187	}
2188	}
2189	} elseif {[llength $histlist] == 1} {
2190	# disable traces on entryvar
2191	set entrycmd(trace) 0
2192	set entryvar(fobsextract) [histinfo $histlist foextract]
2193	set entrycmd(LBdamp) "histinfo $histlist LBdamp"
2194	set entryvar(LBdamp) [histinfo $histlist LBdamp]
2195	foreach phase {1 2 3 4 5 6 7 8 9} {
2196	# is the phase present?
2197	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2198	$expgui(FobsExtractFrame).l$phase config -fg grey
2199	set expgui(Fextract$phase) {}
2200	foreach item $expgui(ExtractSettingsRadiobuttons) {
2201	${item}$phase config -state disabled -bd 1
2202	}
2203	} else {
2204	$expgui(FobsExtractFrame).l$phase config -fg black
2205	foreach item $expgui(ExtractSettingsRadiobuttons) {
2206	${item}$phase config -state normal -bd 2
2207	}
2208	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2209	}
2210	}
2211	} elseif {[llength $histlist] > 1} {
2212	# disable traces on entryvar
2213	set entrycmd(LBdamp) "histinfo [list $histlist] LBdamp"
2214	set entryvar(LBdamp) [histinfo [lindex $histlist 0] LBdamp]
2215	set entrycmd(trace) 0
2216	# multiple histograms need phases in any histogram
2217	foreach phase {1 2 3 4 5 6 7 8 9} {
2218	set gotphase($phase) 0
2219	}
2220	foreach hist $histlist {
2221	foreach phase $expmap(phaselist_$hist) {
2222	set gotphase($phase) 1
2223	}
2224	}
2225	foreach phase {1 2 3 4 5 6 7 8 9} {
2226	set expgui(Fextract$phase) {}
2227	if $gotphase($phase) {
2228	$expgui(FobsExtractFrame).l$phase config -fg black
2229	foreach item $expgui(ExtractSettingsRadiobuttons) {
2230	${item}$phase config -state normal -bd 2
2231	}
2232	} else {
2233	$expgui(FobsExtractFrame).l$phase config -fg grey
2234	foreach item $expgui(ExtractSettingsRadiobuttons) {
2235	${item}$phase config -state disabled -bd 1
2236	}
2237	}
2238	}
2239	}
2240	# reenable traces
2241	set entrycmd(trace) 1
2242	}
2243	# respond to a change in the fobs extraction method for a phase
2244	# force the main extraction flag on, if fobs extraction is selected for any phase
2245	proc HistExtractSet {phase} {
2246	global expgui entryvar expmap
2247	foreach item $expgui(curhist) {
2248	lappend histlist [lindex $expmap(powderlist) $item]
2249	}
2250	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2251	incr expgui(changed)
2252	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2253	}
2254	#---------------------------- Global Edit Functions ------------------------
2255	proc editbackground {} {
2256	global expgui expmap entrycmd
2257	set histlist {}
2258	foreach n $expgui(curhist) {
2259	lappend histlist [lindex $expmap(powderlist) $n]
2260	}
2261	if {[llength $histlist] == 0} return
2262
2263	set w .back
2264	catch {destroy $w}
2265	toplevel $w -bg beige
2266	if {$expgui(globalmode) != 0} {
2267	wm title $w "Global Edit Background"
2268	} else {
2269	wm title $w "Edit Background"
2270	}
2271
2272	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2273	] -side top -expand yes -fill both
2274	if {[llength $histlist] > 1} {
2275	grid [label $w.0.a \
2276	-text "Setting background terms for histograms [CompressList $histlist]" \
2277	-bg beige] -row 0 -column 0 -columnspan 10
2278	} else {
2279	grid [label $w.0.a \
2280	-text "Setting background terms for histogram $histlist" \
2281	-bg beige] -row 0 -column 0 -columnspan 4
2282	grid [button $w.0.bkg -text "Fit Background\nGraphically" \
2283	-command "QuitEditBackground $w; bkgedit $histlist"] \
2284	-row 0 -column 4 -rowspan 2
2285	grid columnconfig $w.0 0 -weight 1
2286	grid columnconfig $w.0 4 -weight 1
2287	}
2288	set hist [lindex $histlist 0]
2289	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0 -sticky e
2290
2291	# disable traces on expgui(backtype) & expgui(backterms) now
2292	set entrycmd(trace) 0
2293
2294	# number of terms
2295	set expgui(backtype) [histinfo $hist backtype]
2296	set expgui(orig_backtype) $expgui(backtype)
2297	set expgui(prev_backtype) $expgui(backtype)
2298	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2299	$typemenu delete 0 end
2300	foreach item {
2301	"1 - Shifted Chebyschev"
2302	"2 - Cosine Fourier series"
2303	"3 - Radial distribution peaks"
2304	"4 - Power series in Q**2n/n!"
2305	"5 - Power series in n!/Q**2n"
2306	"6 - Power series in Q2n/n! and n!/Q2n"
2307	"7 - Linear interpolation function"
2308	"8 - Reciprocal interpolation function"
2309	} {
2310	set val [lindex $item 0]
2311	$typemenu insert end radiobutton -variable expgui(backtype) \
2312	-label $item -value $val
2313	}
2314
2315	grid $w.0.type -row 1 -column 1
2316	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2317
2318	# function type
2319	set expgui(backterms) [histinfo $hist backterms]
2320	set expgui(orig_backterms) $expgui(backterms)
2321	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2322	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2323	grid $w.0.terms -row 1 -column 3
2324	# enable traces on expgui(backtype) & expgui(backterms) now
2325	set entrycmd(trace) 1
2326
2327	#set background terms
2328	for {set num 1 } { $num <= 36 } { incr num } {
2329	set var "bterm$num"
2330	set expgui($var) {}
2331	set expgui(orig_$var) {}
2332	}
2333	if {[llength $histlist] == 1} {
2334	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2335	set var "bterm$num"
2336	set expgui($var) [histinfo $histlist $var]
2337	set expgui(orig_$var) $expgui($var)
2338	}
2339	}
2340
2341	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2342	-expand yes -fill both
2343	ShowBackTerms $w.1
2344
2345	set expgui(temp) {}
2346	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2347	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2348	grid [button $w.b.3 -text Quit \
2349	-command "QuitEditBackground $w"] -row 0 -column 2
2350	grid [button $w.b.help -text Help -bg yellow \
2351	-command "MakeWWWHelp expgui3.html EditBackground"] \
2352	-row 0 -column 4
2353	grid columnconfig $w.b 0 -weight 1
2354	grid columnconfig $w.b 3 -weight 1
2355	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2356	bind $w <Return> "destroy $w"
2357
2358	# force the window to stay on top
2359	putontop $w
2360
2361	focus $w.b.2
2362	tkwait window $w
2363	afterputontop
2364
2365	if {$expgui(temp) != ""} return
2366
2367	if {$expgui(orig_backtype) != $expgui(backtype)} {
2368	histinfo $histlist backtype set $expgui(backtype)
2369	incr expgui(changed)
2370	}
2371	if {$expgui(orig_backterms) != $expgui(backterms)} {
2372	histinfo $histlist backterms set $expgui(backterms)
2373	incr expgui(changed)
2374	}
2375	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2376	set var "bterm$num"
2377	if {$expgui(orig_$var) != $expgui($var)} {
2378	histinfo $histlist $var set $expgui($var)
2379	incr expgui(changed)
2380	}
2381	}
2382
2383	if {$expgui(globalmode) == 0} {
2384	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2385	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2386	}
2387	}
2388
2389	trace variable expgui(backterms) w ChangeBackTerms
2390	proc ChangeBackTerms {a b c} {
2391	global entrycmd expgui
2392	if !$entrycmd(trace) return
2393	ShowBackTerms .back.1
2394	}
2395
2396	trace variable expgui(backtype) w ChangeBackType
2397	# reset the terms to 1, 0, 0... when the number of terms increase
2398	proc ChangeBackType {a b c} {
2399	global entrycmd expgui
2400	if !$entrycmd(trace) return
2401	if {$expgui(prev_backtype) == $expgui(backtype)} return
2402	set expgui(prev_backtype) $expgui(backtype)
2403	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2404	set var "bterm$num"
2405	if {$num == 1} {
2406	set expgui($var) 1.0
2407	} else {
2408	set expgui($var) 0.0
2409	}
2410	}
2411	}
2412
2413	proc ShowBackTerms {w } {
2414	global expgui expmap
2415	# destroy the contents of the frame
2416	eval destroy [winfo children $w]
2417	set histlist {}
2418	foreach n $expgui(curhist) {
2419	lappend histlist [lindex $expmap(powderlist) $n]
2420	}
2421	set widgetsPerRow 4
2422	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2423	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2424	set var "bterm$num"
2425	grid [label $w.l$num -text $num -bg beige] \
2426	-row $rows -column $cols -sticky nes
2427	incr cols
2428	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2429	] -row $rows -column $cols -sticky news
2430	incr cols
2431	}
2432	}
2433	}
2434
2435	proc QuitEditBackground {w} {
2436	global expgui
2437	# lets find out if anything changed
2438	set changed 0
2439	if {$expgui(orig_backtype) != $expgui(backtype)} {
2440	set changed 1
2441	}
2442	if {$expgui(orig_backterms) != $expgui(backterms)} {
2443	set changed 1
2444	}
2445	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2446	set var "bterm$num"
2447	if {$expgui(orig_$var) != $expgui($var)} {
2448	set changed 1
2449	break
2450	}
2451	}
2452	if $changed {
2453	set decision [tk_dialog .changes "Abandon Changes" \
2454	"You have made changes to the background. Ok to abandon changes?" \
2455	warning 0 Abandon Keep]
2456	if !$decision {
2457	set expgui(temp) "Quit"
2458	destroy $w
2459	}
2460	} else {
2461	set expgui(temp) "Quit"
2462	destroy $w
2463	}
2464	}
2465
2466	# this probably needs work
2467	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2468	global expgui expmap
2469	set w .global
2470	catch {destroy $w}
2471	toplevel $w -bg beige
2472	wm title $w "Edit Global Parameter"
2473	set expgui(temp) {}
2474	if {[llength $histlist] == 0} {
2475	set hist {}
2476	foreach n $expgui(curhist) {
2477	lappend hist [lindex $expmap(powderlist) $n]
2478	}
2479	} else {
2480	set hist $histlist
2481	}
2482	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2483	-side top -expand yes -fill both
2484	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2485	-bg beige] \
2486	-row 0 -column 0 -columnspan 10
2487	grid [entry $w.0.b -textvariable expgui(temp)] \
2488	-row 1 -column 0
2489
2490
2491	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2492	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2493	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2494	pack [button $w.b.help -text Help -bg yellow \
2495	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2496	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2497	bind $w <Return> "destroy $w"
2498
2499	# force the window to stay on top
2500	putontop $w
2501	focus $w.b.2
2502	tkwait window $w
2503	afterputontop
2504
2505	if {$expgui(temp) != ""} {
2506	foreach h $hist {
2507	if {$cmd == "histinfo"} {
2508	histinfo $h $variable set $expgui(temp)
2509	incr expgui(changed)
2510	if $expgui(debug) {
2511	puts "histinfo $h $variable set $expgui(temp)"
2512	}
2513	} elseif {$cmd == "hapinfo"} {
2514	hapinfo $h $phase $variable set $expgui(temp)
2515	incr expgui(changed)
2516	if $expgui(debug) {
2517	puts "hapinfo $phase $h $variable set $expgui(temp)"
2518	}
2519	} else {
2520	error "$cmd unimplemented"
2521	}
2522	}
2523	}
2524	}
2525
2526	proc EditProfile {title histlist phaselist} {
2527	global expgui expmap entrycmd
2528	set w .back
2529	catch {destroy $w}
2530	toplevel $w -bg beige
2531	wm title $w "Global Edit Profile"
2532	set hist [lindex $histlist 0]
2533	set phase [lindex $phaselist 0]
2534	set ptype [string trim [hapinfo $hist $phase proftype]]
2535	set htype [string range $expmap(htype_$hist) 2 2]
2536	set nterms [hapinfo $hist $phase profterms]
2537
2538	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2539	] -side top -expand yes -fill both
2540	grid [label $w.0.a \
2541	-text "Setting profile terms: $title" \
2542	-bg beige] -row 0 -column 0 -columnspan 10
2543	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2544	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2545	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2546	set entrylist {}
2547	lappend entrylist "pcut $w.0.d"
2548
2549	set col -1
2550	set row 1
2551	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2552	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2553	] -side top -expand yes -fill both
2554	for { set num 1 } { $num <= $nterms } { incr num } {
2555	set term {}
2556	catch {set term [lindex $lbls $num]}
2557	if {$term == ""} {set term $num}
2558	incr col
2559	grid [label $w.1.l${num} -text "$term" -bg beige] \
2560	-row $row -column $col
2561	incr col
2562	grid [entry $w.1.ent${num} \
2563	-width 14] -row $row -column $col
2564	lappend entrylist "pterm$num $w.1.ent${num}"
2565	if {$col > 6} {set col -1; incr row}
2566	}
2567	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2568	grid [button $w.b.2 -text Set \
2569	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2570	[list $histlist] $w"] -row 0 -column 1
2571	grid [button $w.b.3 -text Quit \
2572	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2573	grid [button $w.b.help -text Help -bg yellow \
2574	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2575	-row 0 -column 4
2576	grid columnconfig $w.b 0 -weight 1
2577	grid columnconfig $w.b 3 -weight 1
2578	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2579	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2580
2581	# force the window to stay on top
2582	putontop $w
2583	focus $w.b.2
2584	tkwait window $w
2585	afterputontop
2586	}
2587
2588	proc SetEditProfile {entrylist phaselist histlist w} {
2589	global expgui
2590	foreach item $entrylist {
2591	set value [ [lindex $item 1] get ]
2592	if {$value != ""} {
2593	hapinfo $histlist $phaselist [lindex $item 0] set $value
2594	incr expgui(changed)
2595	if $expgui(debug) {
2596	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2597	}
2598	}
2599	}
2600	destroy $w
2601	}
2602
2603	proc QuitEditProfile {w entrylist} {
2604	global expgui
2605	# lets find out if anything changed
2606	set changed 0
2607	foreach item $entrylist {
2608	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2609	}
2610	if $changed {
2611	set decision [tk_dialog .changes "Abandon Changes" \
2612	"You have made changes to the Profile. Ok to abandon changes?" \
2613	warning 0 Abandon Keep]
2614	if !$decision {destroy $w}
2615	} else {
2616	destroy $w
2617	}
2618	}
2619
2620	##############################################################################
2621	## #############################################
2622	## END OF THE PROCEDURES SECTION #############################################
2623	## #############################################
2624	##############################################################################
2625
2626	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2627	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2628	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2629	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2630	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2631	# A frame for menu items at top of display
2632	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2633	# Pack the menu frame.
2634	pack $expgui(fm) -fill x -side top -anchor n
2635
2636	# create a button bar
2637	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2638
2639	# Creating the notebook and panes
2640
2641	# create an array element describing each notebook page (used with BW only)
2642	# element 0 -- pane name
2643	# 1 -- Label on frame
2644	# 2 -- initialization command
2645	# 3 -- update command
2646	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2647	# are selected in global mode, 0 otherwise
2648	# 5 -- Web page for pane
2649	# 6 -- name anchor on Web page for pane
2650	set expgui(notebookpagelist) {
2651	{lsFrame "LS Controls" \
2652	"" \
2653	SetupExtractHist \
2654	0 expgui1.html ""}
2655	{phaseFrame Phase \
2656	"" \
2657	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2658	0 expgui2.html ""}
2659	{histFrame Histogram \
2660	MakeHistPane \
2661	DisplayHistogram \
2662	1 expgui3.html ""}
2663	{fracFrame Scaling \
2664	MakeScalingPane \
2665	DisplayFrac \
2666	0 expgui4.html ""}
2667	{profFrame Profile \
2668	MakeProfilePane \
2669	DisplayProfile \
2670	1 expgui5.html ""}
2671	{consFrame Constraints \
2672	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2673	DisplayConstraintsPane \
2674	0 expgui6.html ""}
2675	{orientFrame "MD Pref Orient" \
2676	MakeOrientPane \
2677	DisplayOrient \
2678	0 expgui7.html MD}
2679	{odfFrame "SH Pref Orient" \
2680	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2681	DisplayODFPane \
2682	0 expgui7.html ODF}
2683	}
2684
2685	if $expgui(haveBW) {
2686	pack [NoteBook .n -bd 2] -expand yes -fill both
2687	# this should not be needed, but for some reason NoteBook is not
2688	# using the optionDB
2689	catch {.n configure -font [option get .n font Canvas]}
2690	foreach item $expgui(notebookpagelist) {
2691	set frm [lindex $item 0]
2692	set expgui($frm) [\
2693	.n insert end $frm -text [lindex $item 1] \
2694	-createcmd [lindex $item 2] \
2695	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2696
2697	# at this time expgui(frameactionlist) is generated
2698	# from expgui(notebookpagelist), but in the future it might
2699	# make sense to use expgui(notebookpagelist) directly
2700	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2701
2702	# panes to disable in global "all" mode
2703	if {[lindex $item 4]} {
2704	lappend expgui(GlobalModeAllDisable) \
2705	"$frm \{.n itemconfigure $frm\}"
2706	}
2707	}
2708	} else {
2709	Notebook:create .n \
2710	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2711	pack .n -anchor w -fill both -expand yes
2712	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2713	orientFrame} \
2714	page {"LS Controls" Phase Histogram Scaling Profile \
2715	"MD Pref Orient"} {
2716	set expgui($item) [Notebook:frame .n $item]
2717	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2718	}
2719	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2720	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2721	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2722	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2723	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2724	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2725	set expgui(GlobalModeAllDisable) {}
2726	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2727	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2728	}
2729
2730	# this is used to bring up the selected frame
2731	proc RaisePage {nextpage} {
2732	global expgui
2733	if $expgui(haveBW) {
2734	.n see $nextpage
2735	.n raise $nextpage
2736	set expgui(pagenow) $nextpage
2737	} else {
2738	Notebook:raise .n $nextpage
2739	InitPage $nextpage
2740	}
2741	}
2742	# this is only called when BWidget is not in use
2743	proc InitPage {nextpage} {
2744	global expgui
2745	set expgui(pagenow) $nextpage
2746	UpdateCurrentPage
2747	}
2748	# resize the notebook to fit all the tabs and the largest page
2749	proc ResizeNotebook {} {
2750	global expgui
2751	if {$expgui(haveBW)} {
2752	.n compute_size
2753	} else {
2754	Notebook:resize .n
2755	}
2756	}
2757
2758	#----------------------------------------------------------------------------
2759	proc MakePhasePane {} {
2760	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2761	global expgui entryvar entrybox entrycmd
2762	frame $expgui(phaseFrame).top
2763	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2764	# This is a big frame in the Phase notebook pane to hold atomic data.
2765	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2766	-relief raised -borderwidth 4 -class Coord]
2767	# This is a frame just below the big frame: for edits
2768	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2769	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2770
2771	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2772	grid $frameLatt -sticky news -row 2 -column 0
2773	grid $fbig -sticky news -row 3 -column 0
2774	# give extra space to the atoms box
2775	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2776	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2777	grid $frame3 -sticky news -row 4 -column 0
2778	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2779	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2780	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2781	# this is where the buttons will go
2782	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2783
2784	grid [label $expgui(phaseFrame).top.lA -text title: \
2785	-fg blue ] -column 1 -row 0 -sticky e
2786	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2787	-fg blue -width 45] -column 2 -row 0 -sticky e
2788	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2789	# ------------- Lattice Parameter Box ------------------
2790	set row 0
2791	foreach col {2 4 6} var {a b c} lbl {a b c} {
2792	grid [label $frameLatt.l$var -text $lbl] \
2793	-column $col -row $row -padx 5 -sticky e
2794	incr col
2795	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2796	-column $col -row $row -padx 5
2797	set entrybox($var) $frameLatt.e$var
2798	}
2799	incr row
2800	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2801	grid [label $frameLatt.l$var -text $lbl] \
2802	-column $col -row $row -padx 5 -sticky e
2803	set font [$frameLatt.l$var cget -font]
2804	$frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
2805
2806	incr col
2807	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2808	-column $col -row $row -padx 5
2809	set entrybox($var) $frameLatt.e$var
2810	}
2811
2812	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2813	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2814	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2815	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2816	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2817	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2818	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2819	-column 1 -row 0 -rowspan 2
2820	if [file executable $expgui(exptool)] {
2821	grid [button $expgui(phaseFrame).frameLatt.newp \
2822	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
2823	] -column 0 -row 0 -rowspan 2 -sticky w
2824	}
2825	grid columnconfig $frameLatt 1 -weight 1
2826	grid columnconfig $frameLatt 0 -weight 1
2827	#-------------- Begin Atom Coordinates Box ------------------------------
2828	grid [listbox $fbig.title -height 1 -relief flat \
2829	-exportselection 0 -bg lightgrey -fg black \
2830	-selectforeground black -selectbackground lightgrey] \
2831	-row 0 -column 0 -sticky ew
2832	set expgui(atomtitle) $fbig.title
2833	bind $expgui(atomtitle) <Button-1> {
2834	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2835	incr i
2836	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2837	DisplayAllAtoms
2838	}
2839	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2840
2841	$expgui(atomtitle) configure -selectmode extended
2842	grid [listbox $fbig.lbox -height 10 \
2843	-exportselection 0 \
2844	-xscrollcommand " $fbig.bscr set"\
2845	-yscrollcommand " $fbig.rscr set"\
2846	] -row 1 -column 0 -sticky news
2847	set expgui(atomlistbox) $fbig.lbox
2848	$expgui(atomlistbox) configure -selectmode extended
2849	grid [scrollbar $fbig.bscr -orient horizontal \
2850	-command "move2boxesX \" $fbig.title $fbig.lbox \" " \
2851	] -row 2 -column 0 -sticky ew
2852	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2853	] -row 1 -column 1 -sticky ns
2854	# give extra space to the atoms box
2855	grid columnconfigure $fbig 0 -weight 1
2856	grid rowconfigure $fbig 1 -weight 1
2857
2858	# BIND mouse in editbox
2859	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2860	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2861
2862	#-------------- End Atoms Section ---------------------------------
2863
2864	# --------------------------- Begin Edit Box ------------------------
2865	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2866	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2867	if [file executable $expgui(exptool)] {
2868	button $frame3.newa -text "Add New Atoms" \
2869	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2870	-command {MakeAddAtomsBox $expgui(curPhase)}
2871	grid $frame3.newa -column 11 -row 0
2872	}
2873	button [set expgui(atomxform) $frame3.xa] \
2874	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2875	-command {MakeXformAtomsBox $expgui(curPhase)}
2876	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2877
2878	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2879	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2880	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2881	grid [checkbutton $frame3.cf$col \
2882	-text $lbl -variable entryvar($var) \
2883	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2884	-activebackground $expgui(bkgcolor1)] \
2885	-column $col -row 1 -padx 4 -pady 3 -sticky w
2886	}
2887	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
2888	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2889
2890	set col 4
2891	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2892	grid [label $frame3.lom$num -text $lbl \
2893	-bg $expgui(bkgcolor1)] \
2894	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2895	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2896	$frame3.om$num config -highlightthickness 0
2897	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2898	}
2899	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2900	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2901
2902	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2903	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2904
2905	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2906	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2907	set expgui(atomlabels) $f3l1
2908
2909	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2910	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2911	set expgui(atomentry) $f3e1
2912
2913	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2914	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2915	lappend expgui(atomlabels) $f3l8
2916	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2917	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2918	lappend expgui(atomlabels) $f3l11
2919
2920	foreach var {x y z frac} col {3 4 5 7} {
2921	set entrybox($var) [entry $frame3.coords.e$var \
2922	-textvariable entryvar($var) -width 10]
2923	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2924	lappend expgui(atomentry) $entrybox($var)
2925	}
2926
2927
2928	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2929	grid $f3f31 -column 0 -row 7 -columnspan 12
2930	set expgui(anisolabels) {}
2931	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2932	lappend expgui(anisolabels) [\
2933	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2934	]
2935	}
2936	set expgui(anisoentry) {}
2937	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2938	lappend expgui(anisoentry) [\
2939	entry $f3f31.$i -textvariable entryvar($var) \
2940	-width 10]
2941	set entrybox($var) $f3f31.$i
2942	}
2943
2944	set col 0
2945	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2946	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2947	incr col
2948	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2949	incr col
2950	}
2951	# --------------------------- End Edit Box -------------------------
2952
2953	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2954	# resize in case the pane needs more space
2955	ResizeNotebook
2956	}
2957
2958	#-----------------------------------------------------------------------------
2959	proc MakeHistPane {} {
2960	#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
2961	global expgui
2962
2963	grid columnconfigure $expgui(histFrame) 0 -weight 1
2964	grid rowconfigure $expgui(histFrame) 1 -weight 1
2965	grid rowconfigure $expgui(histFrame) 2 -weight 1
2966	grid rowconfigure $expgui(histFrame) 3 -weight 1
2967
2968	grid [frame $expgui(histFrame).hs -class HistList] \
2969	-column 0 -row 0 -rowspan 10 -sticky nsew
2970	MakeHistBox $expgui(histFrame).hs
2971	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2972	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2973	DisplayHistogram
2974	}
2975	bind $expgui(histFrame).hs.lbox <Button-3> {
2976	if $expgui(globalmode) {
2977	$expgui(histFrame).hs.lbox selection set 0 end
2978	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2979	DisplayHistogram
2980	}
2981	}
2982
2983	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2984	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2985	if $expgui(haveBW) {
2986	foreach item {backBox diffBox} num {2 3} \
2987	title {Background "Diffractometer Constants"} {
2988	TitleFrame $expgui(histFrame).$item \
2989	-borderwidth 4 -side left -relief groove -text $title
2990	set expgui($item) [$expgui(histFrame).$item getframe]
2991	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2992	grid rowconfigure $expgui(histFrame) $num -minsize 100
2993	}
2994	} else {
2995	foreach item {backBox diffBox} num {1 2} \
2996	title {Background "Diffractometer Constants"} {
2997	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2998	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2999	set expgui($item) $expgui(histFrame).$item
3000	grid [label $expgui(histFrame).$item.title -text $title] \
3001	-row 0 -column 0 -columnspan 10 -sticky nw
3002	}
3003	}
3004	grid [frame $expgui(histFrame).bb] -column 1 -row 6
3005	if [file executable $expgui(exptool)] {
3006	button $expgui(histFrame).bb.newh -text "Add New\nHistogram" \
3007	-command MakeAddHistBox
3008	grid $expgui(histFrame).bb.newh -column 0 -row 1
3009	}
3010	if [file exists [file join $expgui(scriptdir) excledt]] {
3011	button $expgui(histFrame).bb.excl \
3012	-text "Set Data Limits &\nExcluded Regions" -command excledit
3013	grid $expgui(histFrame).bb.excl -column 1 -row 1
3014	}
3015	button $expgui(histFrame).bb.use -text "Set Histogram\nUse Flags" \
3016	-command SetHistUseFlags
3017	grid $expgui(histFrame).bb.use -column 2 -row 1
3018
3019	# BACKGROUND information.
3020	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
3021	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
3022	grid [label $expgui(backBox).frm1.lBGType \
3023	-textvariable expgui(backtypelbl)] \
3024	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3025	grid [label $expgui(backBox).frm1.lBGTerms \
3026	-textvariable expgui(backtermlbl)] \
3027	-row 1 -column 1 -sticky nws -padx 2 -pady 3
3028	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
3029	-command editbackground] \
3030	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
3031	grid [frame $expgui(backBox).frm2 ] \
3032	-row 1 -column 0 -columnspan 11 -sticky e
3033	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
3034	-row 2 -column 1 -sticky news -padx 4 -pady 3
3035	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
3036	-variable entryvar(bref) ] \
3037	-row 2 -column 2 -sticky news -padx 4 -pady 3
3038	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
3039	-row 2 -column 3 -sticky w -padx 2 -pady 3
3040	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
3041	grid $expgui(backBox).frm2.om \
3042	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
3043	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3044	# insert the histograms & resize in case the pane needs more space
3045	sethistlist
3046	ResizeNotebook
3047	}
3048	###############################################################################
3049	proc MakeScalingPane {} {
3050	#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
3051	global expgui entryvar entrybox
3052
3053	pack [frame $expgui(fracFrame).hs -class HistList] \
3054	-side left -expand y -fill both
3055	MakeHistBox $expgui(fracFrame).hs
3056	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
3057	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3058	DisplayFrac
3059	}
3060	bind $expgui(fracFrame).hs.lbox <Button-3> {
3061	if $expgui(globalmode) {
3062	$expgui(fracFrame).hs.lbox selection set 0 end
3063	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3064	DisplayFrac
3065	}
3066	}
3067
3068	pack [frame $expgui(fracFrame).f1] -fill both -expand true
3069	# Create a large canvas area containing a frame for each phase in the data set.
3070	# The canvas and vertical scrollbar are inside a frame called f1
3071	if $expgui(haveBW) {
3072	TitleFrame $expgui(fracFrame).f1.scaleBox \
3073	-borderwidth 4 -text "Scale Factor"
3074	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
3075	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3076	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
3077	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
3078	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3079	} else {
3080	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
3081	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3082	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
3083	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
3084	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3085	}
3086	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
3087	-row 1 -column 1 -sticky ew -padx 4 -pady 3
3088	set entrybox(scale) $expgui(scaleBox).ent1
3089
3090	button $expgui(scaleBox).but1 -text "Set Globally" \
3091	-command "editglobalparm histinfo scale {Scale Factor}"
3092
3093	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
3094	-row 1 -column 2 -sticky nws -padx 2 -pady 3
3095	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
3096	-row 1 -column 3 -sticky news -padx 4 -pady 3
3097	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3098	-row 1 -column 4 -sticky w -padx 2 -pady 3
3099	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3100	grid $expgui(scaleBox).om \
3101	-row 1 -column 5 -sticky news -padx 4 -pady 3
3102	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3103
3104	if $expgui(haveBW) {
3105	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3106	-text "Phase Fractions" -relief groove] \
3107	-sticky news -row 1 -column 0 -columnspan 2
3108	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3109	} else {
3110	set PhaseFractBox $expgui(fracFrame).f1
3111	}
3112	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3113	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3114
3115	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3116	-scrollregion {0 0 5000 500} \
3117	-yscrollcommand "$PhaseFractBox.yscroll set" \
3118	-width 500 -height 350 -bg lightgrey]] \
3119	-sticky news -row 1 -column 0
3120	grid [scrollbar $PhaseFractBox.yscroll \
3121	-command "$expgui(FracBox) yview" \
3122	-orient vertical] \
3123	-sticky ns -row 1 -column 1
3124	frame $expgui(FracBox).f -bd 0
3125	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3126
3127	# the rest of the page is created in DisplayFrac
3128
3129	# insert the histograms & resize in case the pane needs more space
3130	sethistlist
3131	ResizeNotebook
3132	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3133	}
3134	###############################################################################
3135	proc MakeProfilePane {} {
3136	global expgui
3137	# 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
3138	pack [frame $expgui(profFrame).hs -class HistList] \
3139	-side left -expand y -fill both
3140	MakeHistBox $expgui(profFrame).hs
3141	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3142	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3143	DisplayProfile
3144	}
3145	bind $expgui(profFrame).hs.lbox <Button-3> {
3146	if $expgui(globalmode) {
3147	$expgui(profFrame).hs.lbox selection set 0 end
3148	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3149	DisplayProfile
3150	}
3151	}
3152
3153	# Create a large canvas area containing a frame for each phase in the data set.
3154	# The canvas and vertical scrollbar are inside a frame called f1
3155	pack [frame $expgui(profFrame).f1] -fill both -expand true
3156	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3157	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3158	-sticky news -row 0 -column 0
3159	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3160	-sticky ns -row 0 -column 1
3161
3162	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3163	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3164
3165	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3166	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3167	frame $expgui(ProfileBox).f -bd 0
3168	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3169
3170	# insert the histograms & resize in case the pane needs more space
3171	sethistlist
3172	ResizeNotebook
3173	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3174	}
3175
3176	##############################################################################
3177	# 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
3178	array set printopts {
3179	0 "Print the reciprocal metric tensor changes"
3180	1 "Print the correlation matrix"
3181	2 "Print the Least-Squares matrices and vectors"
3182	4 "Print the linear constraint matrices"
3183	5 "Print the applied shifts and shift factors"
3184	6 "Print the reciprocal metric tensor Var-Covar terms"
3185	7 "Print all parameters for each cycle"
3186	8 "Print summary shift/esd data after last cycle"
3187	9 "Print zero/unit pole figure constraint terms"
3188	}
3189	pack [frame $expgui(lsFrame).hs -class HistList] \
3190	-side left -expand y -fill both
3191	MakeHistBox $expgui(lsFrame).hs
3192	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3193	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3194	SetupExtractHist
3195	}
3196	bind $expgui(lsFrame).hs.lbox <Button-3> {
3197	if $expgui(globalmode) {
3198	$expgui(lsFrame).hs.lbox selection set 0 end
3199	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3200	SetupExtractHist
3201	}
3202	}
3203
3204	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3205	set row 0
3206	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3207	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3208	-textvariable expgui(last_History)] \
3209	-row $row -column 1 -columnspan 5 -sticky w
3210	incr row
3211	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3212	grid [entry $expgui(lsFrame).f1.tit2 \
3213	-textvariable entryvar(title) -width 48] \
3214	-row $row -column 1 -columnspan 5 -sticky w
3215	set entrycmd(title) "expinfo title"
3216
3217	incr row
3218	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3219	incr row
3220	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3221	-row $row -column 0 -columnspan 2 -pady 3 -sticky s
3222	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3223	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3224	-textvariable entryvar(cycles)] -row 0 -column 1
3225	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3226
3227	grid [frame $expgui(lsFrame).f1.cv -bd 4 -relief groove] \
3228	-row $row -column 2 -sticky ew
3229	grid [label $expgui(lsFrame).f1.cv.l -text "Convgerence Criterion"] \
3230	-row 0 -column 0 -columnspan 2
3231	grid [label $expgui(lsFrame).f1.cv.v -textvariable expgui(convlbl)] -row 1 -column 0
3232	grid [scale $expgui(lsFrame).f1.cv.s -orient horizontal \
3233	-from -200 -to 200 -showvalue 0 -command SetConv -resolution 10 \
3234	-variable expgui(convg)] -row 1 -column 1
3235
3236	incr row
3237	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3238	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3239	] -row $row -column 0 -columnspan 2
3240	menu $expgui(lsFrame).f1.lprint.menu
3241	foreach num [lsort [array names printopts]] {
3242	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3243	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3244	-variable entryvar(printopt$num)
3245	}
3246
3247	grid [frame $expgui(lsFrame).f1.marq -bd 4 -relief groove] \
3248	-row $row -column 2 -sticky ew
3249	grid [label $expgui(lsFrame).f1.marq.l -text "Marquardt Damping"] \
3250	-row 0 -column 0 -columnspan 2
3251	grid [label $expgui(lsFrame).f1.marq.v -textvariable expgui(marq)] \
3252	-row 1 -column 0
3253	grid [scale $expgui(lsFrame).f1.marq.s -orient horizontal \
3254	-from 1.0 -to 9.99 -showvalue 0 -command SetMarq -resolution 0.01 \
3255	-variable expgui(marq)] -row 1 -column 1
3256
3257	incr row
3258	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3259
3260	incr row
3261	if {$expgui(haveBW)} {
3262	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3263	-text "Reflection Intensity Extraction" \
3264	] -row $row -column 0 -columnspan 6
3265	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3266	} else {
3267	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3268	] -row $row -column 0 -columnspan 6
3269	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3270	}
3271
3272	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3273	-row 0 -column 8 -columnspan 3 -sticky ens
3274	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3275	-row 0 -column 2
3276	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3277	-variable entryvar(fobsextract)] -row 0 -column 3
3278
3279	grid [frame $expgui(FobsExtractFrame).d -bd 4 -relief groove] \
3280	-row 0 -column 3 -columnspan 5 -sticky ens
3281	grid [label $expgui(FobsExtractFrame).d.fol -text "LeBail damping"] \
3282	-row 0 -column 2
3283	tk_optionMenu $expgui(FobsExtractFrame).d.d entryvar(LBdamp) \
3284	0 1 2 3 4 5 6 7 8 9
3285	grid $expgui(FobsExtractFrame).d.d -row 0 -column 3
3286	incr row
3287	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3288
3289
3290
3291	foreach num {1 2 3 4 5 6 7 8 9} {
3292	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3293	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3294	-command "HistExtractSet $num" \
3295	-variable expgui(Fextract$num) -value 0] \
3296	-row 2 -column $num
3297	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3298	-command "HistExtractSet $num" \
3299	-variable expgui(Fextract$num) -value 1] \
3300	-row 3 -column $num
3301	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3302	-command "HistExtractSet $num" \
3303	-variable expgui(Fextract$num) -value 2] \
3304	-row 4 -column $num
3305	}
3306	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3307	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3308	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3309
3310	grid [label $expgui(FobsExtractFrame).t \
3311	-text "Extraction\nMethod" -anchor c] \
3312	-column 0 -row 0 -sticky n
3313	grid [label $expgui(FobsExtractFrame).t0 -text "(Phase #)" -anchor c] \
3314	-column 10 -row 1 -sticky w
3315	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3316	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3317	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3318	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3319	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3320
3321	proc InitLSvars {} {
3322	global expgui
3323	set expgui(convg) [set expgui(convinit) [expinfo convg]]
3324	set expgui(convlbl) [format %5.2f [expr pow(10,$expgui(convg)/100.)]]
3325	set expgui(marq) [set expgui(marqinit) [expinfo marq]]
3326	}
3327	proc SetConv {x} {
3328	global expgui
3329	if {$x != $expgui(convinit) && $expgui(changed) <= 0} {
3330	incr expgui(changed)
3331	}
3332	if {$expgui(changed)} {expinfo convg set $x}
3333	set expgui(convlbl) [format %5.2f [expr {pow(10,$x/100.)}]]
3334	}
3335	proc SetMarq {x} {
3336	global expgui
3337	if {$x != $expgui(marqinit) && $expgui(changed) <= 0} {
3338	incr expgui(changed)
3339	}
3340	if {$expgui(changed)} {expinfo marq set $x}
3341	}
3342	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3343	#-------------------------------------------------------------------------
3344	#-------------------------------------------------------------------------
3345	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3346
3347	#---- file menu button
3348	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3349	menu $expgui(fm).file.menu
3350	if $expgui(debug) {
3351	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3352	}
3353	if {$expgui(shell)} {
3354	$expgui(fm).file.menu add command -label "Open" -command readnewexp
3355	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3356	}
3357	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3358	-command savearchiveexp
3359	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3360	$expgui(fm).file.menu add command -label "Save As" \
3361	-command "SaveAsFile"
3362	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3363	-command {rereadexp $expgui(expfile)}
3364
3365	#---- help menu button
3366	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3367	menu $expgui(fm).help.menu
3368	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3369	-label "Help Summary"
3370	$expgui(fm).help.menu add command -command MakeWWWHelp \
3371	-label "Help on current pane"
3372	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
3373	-label "Help on menu"
3374	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3375	# define help actions
3376	bind . <Key-F1> MakeWWWHelp
3377	$expgui(fm).help.menu add command -label "About..." -command About
3378	$expgui(fm).help.menu add command -label "Cite..." -command Cite
3379
3380	#---- options menu button
3381	menubutton $expgui(fm).option -text Options \
3382	-menu $expgui(fm).option.menu
3383	menu $expgui(fm).option.menu
3384
3385	if {$expgui(shell)} {
3386	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3387	-variable expgui(archive)
3388	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3389	-variable expgui(disaglSeparateBox)
3390	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3391	-variable expgui(autoexpload)
3392	$expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \
3393	-variable expgui(autoiconify)
3394	}
3395	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3396	-label "Sort atoms by"
3397
3398	set expgui(asorttype) number
3399	menu $expgui(fm).option.menu.asort
3400	foreach opt {number type mult x y z occupancy} {
3401	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3402	-label $opt -value $opt -variable expgui(asorttype)
3403	}
3404
3405	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3406	-label "Sort histograms by"
3407
3408	set expgui(hsorttype) number
3409	menu $expgui(fm).option.menu.hsort
3410	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3411	-label number -value number -variable expgui(hsorttype)
3412	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3413	-label "Histogram type" -value type -variable expgui(hsorttype)
3414	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3415	-label "Bank #" -value bank -variable expgui(hsorttype)
3416	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3417	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3418
3419	#---- Global mode menu button
3420	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3421	-label "Multiple hist. selection"
3422	menu $expgui(fm).option.menu.editmode
3423	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3424	-variable expgui(globalmode) -value 0 \
3425	-command sethistlist
3426	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3427	-variable expgui(globalmode) -value 6 \
3428	-command sethistlist
3429	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3430	-variable expgui(globalmode) -value 1 \
3431	-command sethistlist
3432	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3433	-variable expgui(globalmode) -value 2 \
3434	-command sethistlist
3435	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3436	-variable expgui(globalmode) -value 3 \
3437	-command sethistlist
3438	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3439	-variable expgui(globalmode) -value 4 \
3440	-command sethistlist
3441	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3442	-variable expgui(globalmode) -value 5 \
3443	-command sethistlist
3444	$expgui(fm).option.menu.editmode add separator
3445	$expgui(fm).option.menu.editmode add checkbutton \
3446	-label "Group phases together" \
3447	-variable expgui(globalphasemode) \
3448	-command sethistlist
3449
3450	set expgui(globalmode) 0
3451	set expgui(globalphasemode) 1
3452
3453	if {$tcl_platform(platform) == "unix"} {
3454	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3455	-variable env(GSASBACKSPACE)
3456	}
3457
3458	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.font \
3459	-label "Screen font"
3460	menu $expgui(fm).option.menu.font
3461	foreach f {10 11 12 13 14 16 18 20 22} {
3462	$expgui(fm).option.menu.font add radiobutton \
3463	-command {SetTkDefaultOptions $expgui(font); ResizeFont .; ResizeNotebook} \
3464	-label $f -value $f -variable expgui(font) -font "Helvetica -$f"
3465	}
3466
3467	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
3468	-variable expgui(showexptool)
3469	$expgui(fm).option.menu add command -label "Save Options" \
3470	-command "SaveOptions"
3471
3472	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3473
3474	if {$expgui(shell)} {
3475	foreach menu $expgui(menunames) {
3476	set m [string tolower $menu]
3477	pack [menubutton $expgui(fm).$m -text $menu \
3478	-menu $expgui(fm).$m.menu] -side left
3479	menu $expgui(fm).$m.menu
3480	}
3481	}
3482	pack $expgui(fm).help -side right -in $expgui(fm)
3483
3484	if {$expgui(shell)} {
3485	# add the commands in expgui_menulist
3486	foreach menu [array names expgui_menulist ] {
3487	foreach cmd $expgui_menulist($menu) {
3488	set action {}
3489	set opt {}
3490	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3491	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3492	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3493	if {$action != "" && $action != "-"} {
3494	eval $expgui(fm).$menu.menu add command \
3495	-label $cmd $opt -command [list [subst $action]]
3496	if {[lindex $opt 0] == "-underline"} {
3497	catch {
3498	set num [lindex $opt 1]
3499	set key [string range $cmd $num $num]
3500	bind . <Alt-[string tolower $key]> [subst $action]
3501	bind . <Alt-[string toupper $key]> [subst $action]
3502	}
3503	}
3504	}
3505	}
3506	}
3507	}
3508	# setup command help
3509	foreach cmd [array names expgui_cmdlist] {
3510	set help {}
3511	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3512	if {$help == ""} {
3513	if {$expgui(debug)} {puts "no help for $cmd"}
3514	} else {
3515	# remove
3516	regsub -all \x09 $help " " help
3517	# preserve blank lines
3518	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3519	regsub -all \x0A $help " " help
3520	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3521	regsub -all " +" $help " " help
3522	set expgui_helplist($cmd) [string trim $help]
3523	}
3524	}
3525	if {$expgui(shell)} {
3526	# set up button bar
3527	foreach cmd $expgui(buttonlist) {
3528	set action {}
3529	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3530	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3531	if {$action != ""} {
3532	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3533	-text $cmd -command [list [subst $action]]] -side left
3534	}
3535	}
3536	}
3537
3538	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3539	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3540	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3541
3542	# make the phase pane
3543	MakePhasePane
3544	# and the rest of the windows w/o BWidget
3545	if !$expgui(haveBW) {
3546	MakeHistPane
3547	MakeScalingPane
3548	MakeProfilePane
3549	}
3550
3551	# handle indirect exits
3552	wm protocol . WM_DELETE_WINDOW catchQuit
3553	bind . <Control-c> catchQuit
3554
3555	set expgui(curPhase) ""
3556	set expgui(pagenow) ""
3557	set expgui(curhist) {}
3558	set expgui(selectedatomlist) {}
3559
3560	loadexp $expgui(expfile)
3561
3562	# select the 1st phase
3563	SelectOnePhase [lindex $expmap(phaselist) 0]
3564	# select the first histogram in the list by default (if there are any)
3565	if {[llength $expmap(histlistboxcontents)] > 0} {
3566	set expgui(curhist) 0
3567	} else {
3568	set expgui(curhist) {}
3569	}
3570
3571	# execute any local commands for final initialization
3572	eval $expgui(initstring)
3573
3574	# resize the notebook to fit all the tabs and the largest page
3575	ResizeNotebook
3576
3577	RaisePage lsFrame
3578	if {[CountHistory] > 100} {
3579	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3580	}

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