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source: trunk/expgui @ 481

Last change on this file since 481 was 478, checked in by toby, 13 years ago
# on 2001/10/31 20:06:10, toby did: fix .Oxx bug when no files are found add excledt support
Property rcs:author set to `toby` Property rcs:date set to `2001/10/31 20:06:10` Property rcs:lines set to `+16 -6` Property rcs:rev set to `1.50` 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 478 2009-12-04 23:06:50Z toby $
3	set expgui(Revision) {$Revision: 478 $ $Date: 2009-12-04 23:06:50 +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	exec echo "\n----------------------------------------------" >> $expnam.LST
274	exec echo " Regressing to archive file [file tail $expfile]" >> $expnam.LST
275	exec echo " but first archiving [file tail $expnam.EXP] as [file tail $newfile]" >> $expnam.LST
276	exec echo "----------------------------------------------\n" >> $expnam.LST
277	}
278	}
279	file copy -force $expfile $expnam.EXP
280	set fmt [expload $expfile]
281	# if the file was not in the correct format, force a rewrite before use
282	if {$fmt < 0} {
283	# read error
284	return
285	} elseif {$fmt == 1} {
286	set expgui(changed) 0
287	} else {
288	set expgui(changed) 1
289	}
290	set expfile $expnam.EXP
291	if {$ans == "use new name"} {
292	SaveAsFile
293	set expfile $expgui(expfile)
294	}
295	} else {
296	set exploadtime [time {set fmt [expload $expfile]}]
297	if $expgui(debug) {puts "expload $exploadtime"}
298	# if the file was not in the correct format, force a rewrite before use
299	if {$fmt < 0} {
300	# read error
301	return
302	} elseif {$fmt == 1} {
303	set expgui(changed) 0
304	} else {
305	set expgui(changed) 1
306	}
307	}
308	# force exp files to be upper case, force save if name changes
309	set filetail [file tail $expfile]
310	set filetailcaps [string toupper $filetail]
311	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
312	set expgui(changed) 1
313	}
314	if {[file dirname $expfile] == "."} {
315	set expgui(expfile) $filetailcaps
316	} else {
317	set expgui(expfile) [file join \
318	[file dirname $expfile] $filetailcaps]
319	}
320
321	mapexp
322	set expgui(expModifiedLast) 0
323	catch {
324	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
325	}
326	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
327	# set the window/icon title
328	wm title . "EXPGUI $expfile"
329	set expgui(titleunchanged) 1
330	wm iconname . [file tail $expfile]
331
332	# set the number of phases on the phase page
333	setphases
334
335	# disable the "global options" that don't make sense based on
336	# which histograms present
337	foreach num {1 2 3 4 5} {
338	set flag($num) 0
339	}
340	# save a list of the allowed modes, too
341	set expgui(AllowedHistSelectModes) {0 6}
342	foreach h $expmap(powderlist) {
343	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
344	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
345	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
346	[histinfo $h lam2] != 0.0} {set flag(3) 1}
347	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
348	[histinfo $h lam2] == 0.0} {set flag(4) 1}
349	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
350	}
351	foreach num {1 2 3 4 5} \
352	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
353	"Energy Disp Xray"} {
354	if $flag($num) {
355	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
356	lappend expgui(AllowedHistSelectModes) $num
357	} else {
358	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
359	}
360	}
361	# disable traces on entryvar until we are ready
362	set entrycmd(trace) 0
363	trace vdelete entryvar w entvartrace
364
365	# propogate changes on the least squares page
366	set entryvar(cycles) [expinfo cycles]
367	set entrycmd(cycles) "expinfo cycles"
368	# set expgui(globalmode) 0
369	set expgui(printopt) "Print Options ([expinfo print])"
370	set entryvar(title) [expinfo title]
371	global printopts
372	foreach num [array names printopts] {
373	set entrycmd(printopt$num) "printsetting $num"
374	set entryvar(printopt$num) [printsetting $num]
375	}
376	# enable traces on entryvar
377	set entrycmd(trace) 1
378	trace variable entryvar w entvartrace
379
380	# set fo extraction on LS page
381	SetupExtractHist
382	# set convergence criterion
383	InitLSvars
384
385	# update the histogram list & update the page
386	sethistlist
387
388	# start checking for external changes
389	afterawhile
390	}
391
392	# called to reread the .EXP file
393	proc rereadexp {expfile} {
394	global expgui
395	if $expgui(changed) {
396	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
397	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
398	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
399	switch $decision {
400	0 { savearchiveexp }
401	1 { }
402	2 { return }
403	}
404	}
405	loadexp $expgui(expfile)
406	}
407
408	proc SaveAsFile {} {
409	global expgui
410	set newexpfile [getExpFileName new]
411	if {$newexpfile == ""} return
412	expwrite $newexpfile
413	set expgui(expfile) $newexpfile
414	catch {cd [string trim [file dirname $expgui(expfile)]]}
415	set expgui(changed) 0
416	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
417	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
418	# set the window/icon title
419	wm title . $expgui(expfile)
420	set expgui(titleunchanged) 1
421	wm iconname . [file tail $expgui(expfile)]
422	# set convergence criterion
423	InitLSvars
424	}
425
426	# called to read a different .EXP file
427	proc readnewexp {} {
428	global expgui expmap
429	if $expgui(changed) {
430	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
431	{You have made changes to the Experiment. Reading a different file without first saving will cause the changes to be lost. Select an option:} \
432	{} 0 "Save and read" "Read without Save" "Cancel read command"]
433	switch $decision {
434	0 { savearchiveexp }
435	1 { }
436	2 { return }
437	}
438	}
439	set newexpfile [getExpFileName old]
440	if {$newexpfile == ""} return
441
442	# switch to the 1st page
443	RaisePage lsFrame
444
445	if ![file exists $newexpfile] {
446	# you've been warned this .EXP does not exist!
447	# create an "empty" exp file
448	createexp $newexpfile \
449	[getstring "title for experiment $newexpfile" 60 0]
450	}
451	set expgui(expfile) $newexpfile
452	catch {cd [string trim [file dirname $expgui(expfile)]]}
453	set expgui(globalmode) 0
454	loadexp $expgui(expfile)
455
456	# select the 1st phase
457	SelectOnePhase [lindex $expmap(phaselist) 0]
458	# select the first histogram in the list by default (if there are any)
459	if {[llength $expmap(histlistboxcontents)] > 0} {
460	set expgui(curhist) 0
461	} else {
462	set expgui(curhist) {}
463	}
464	if {[CountHistory] > 100} {
465	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
466	}
467	}
468
469	#------------- set up data read/write layer ----------------------
470	# trace routine on entryvar
471	proc entvartrace {array elem action} {
472	global expgui entrycmd entryvar entrybox
473	if !$entrycmd(trace) return
474
475	catch {
476	if {$entrycmd($elem) == ""} return
477	incr expgui(changed)
478	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
479	if {$entrycmd($elem) == ""} return
480	if [catch {
481	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
482	if {!$result} {
483	if $expgui(debug) {puts "error with $entrycmd($elem)"}
484	catch {$entrybox($elem) config -fg red}
485	} else {
486	catch {$entrybox($elem) config -fg black}
487	}
488	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
489	after idle {DisplayAllAtoms noreset}
490	}
491	} errmsg] {error $errmsg}
492	}
493	}
494
495	# disable traces on entryvar until we are ready
496	set entrycmd(trace) 0
497	trace variable entryvar w entvartrace
498
499	#
500	#
501	#
502	##############################################################################
503	##### #####################################################
504	##### PROCEDURES SECTION #####################################################
505	##### #####################################################
506	##############################################################################
507
508	# save some of the global options in ~/.gsas_config
509	proc SaveOptions {} {
510	global expgui env tcl_platform graph peakinfo
511	set fp [open [file join ~ .gsas_config] a]
512	foreach item {archive asorttype hsorttype filesort disaglSeparateBox \
513	font autoexpload autoiconify autotick} {
514	puts $fp "set expgui($item) $expgui($item)"
515	}
516	if {$tcl_platform(platform) != "windows"} {
517	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
518	}
519	foreach v {printout legend outname outcmd autoraise color_excl \
520	color_obs color_calc} {
521	puts $fp "set graph($v) $graph($v)"
522	}
523	foreach v {obssym obssize exclsym exclsize} {
524	puts $fp "set peakinfo($v) $peakinfo($v)"
525	}
526	close $fp
527	}
528
529	proc About { } {
530	global expgui expmap
531	tk_dialog .about {About...} \
532	"EXPGUI\n\
533	Jonathan Wasserman and Brian Toby\n\
534	NIST Center for Neutron Research\n\n\
535	2000, Not subject to copyright\n\n\
536	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
537	Cite: B. H. Toby, EXPGUI, a graphical\n\
538	user interface for GSAS, J. Appl. Cryst.\n\
539	34, 210-21 (2001).
540	\n\n\
541	Generalized Structure Analysis System\n(GSAS)\n\
542	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
543	" \
544	info 0 OK
545	}
546	proc Cite { } {
547	global expgui expmap
548	tk_dialog .about {Citations...} \
549	"If you use EXPGUI, please cite\n\n\
550	B.H. Toby, EXPGUI, a graphical\n\
551	user interface for GSAS, J. Appl. Cryst.\n\
552	34, 210-21 (2001).\n\n\
553	as well as\n\n\
554	A.C. Larson and R.B. Von Dreele,\n\
555	\"General Structure Analysis System (GSAS)\",\n\
556	Los Alamos National Laboratory Report\n\
557	LAUR 86-748 (2000)." \
558	info 0 OK
559	}
560
561	# wait until idle
562	proc afterawhile {} {
563	# cancel any other instances of this loop
564	after cancel afterawhile
565	after cancel whenidle
566	after cancel whenidle
567	after idle whenidle
568	}
569
570	# This is called every 2 seconds to check for changes to the .EXP file
571	proc whenidle {} {
572	global expgui tcl_platform
573	if $expgui(titleunchanged) {
574	if {$expgui(changed) != 0} {
575	wm title . "$expgui(expfile) (modified)"
576	set expgui(titleunchanged) 0
577	}
578	}
579	if {$expgui(expModifiedLast) == 0} {
580	after 2000 afterawhile
581	return
582	}
583	if {![file exists $expgui(expfile)]} {
584	after 2000 afterawhile
585	return
586	}
587	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
588	# we are "locked". Note that whenidle loop will be restarted later
589	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
590	return
591	}
592	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
593
594	if {$ans == 0} {
595	loadexp $expgui(expfile)
596	} elseif {$ans == 1} {
597	# reset the time to the next version
598	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
599	} elseif {$ans == 2} {
600	SaveAsFile
601	}
602	}
603	after 2000 afterawhile
604	}
605
606	# place a message about changes over the main window
607	proc ReloadExpMsg {file changes} {
608	global expgui tcl_platform
609	set msg "File $file has been modified by another program"
610	if {$changes == 1} {
611	append msg " and you have made a change to this version.\n"
612	} elseif {$changes > 0} {
613	append msg " and you have made $changes changes to this version.\n"
614	} else {
615	append msg ".\n"
616	}
617	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
618
619	set w .ask
620	catch {destroy $w}
621	toplevel $w -class Dialog
622	wm title $w "Reload?"
623	wm iconname $w "Reload?"
624	wm protocol $w WM_DELETE_WINDOW { }
625	wm transient $w .
626	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
627	pack [button $w.help -text Help -bg yellow \
628	-command "MakeWWWHelp expguierr.html Overwrite"] \
629	-side top -anchor e
630	frame $w.bot
631	pack $w.bot -side bottom
632	frame $w.top -class FixedFont
633	pack $w.top -side top -fill both -expand 1
634	label $w.top.msg -justify left \
635	-wraplength 5i -font {Times 18} \
636	-text $msg
637	if {$tcl_platform(platform) == "windows"} {
638	$w.top.msg config -font {Times 14}
639	}
640	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
641	pack [button $w.bot.1 -text "Load new" \
642	-default active -command "set expgui(dialogbutton) 0" \
643	] -side left -expand 1 -padx 3m -pady 2m
644	pack [button $w.bot.2 -text "Continue with old" \
645	-command "set expgui(dialogbutton) 1"] \
646	-side left -expand 1 -padx 3m -pady 2m
647	if {$changes > 0} {
648	pack [button $w.bot.3 -text "Save edited version" \
649	-command "set expgui(dialogbutton) 2"] \
650	-side left -expand 1 -padx 3m -pady 2m
651	}
652	# Create a binding for <Return> on the dialog
653	bind $w <Return> "tkButtonInvoke $w.bot.1"
654	wm withdraw $w
655	update idletasks
656
657	# for windows put the box in the upper left, for
658	# unix center it over the parent (in unix it appears later)
659	#if {$tcl_platform(platform) == "windows"} {
660	#wm geom $w +0+0
661	#} else {
662
663	# for now, always center the message over the main window
664	# center the new window in the middle of the parent
665	set x [expr [winfo x .] + [winfo width .]/2 - \
666	[winfo reqwidth $w]/2 - [winfo vrootx .]]
667	set y [expr [winfo y .] + [winfo height .]/2 - \
668	[winfo reqheight $w]/2 - [winfo vrooty .]]
669	wm geom $w +$x+$y
670	#}
671	wm deiconify $w
672
673	# Grab the focus
674	set oldFocus [focus]
675	set oldGrab [grab current $w]
676	if {[string compare $oldGrab ""]} {
677	set grabStatus [grab status $oldGrab]
678	}
679	grab $w
680	focus $w.bot.1
681	# for windows rearrange window stacking
682	# -- Removed since this will normally happen after the GSAS program
683	# has finished
684	#if {$tcl_platform(platform) == "windows"} {
685	#lower .
686	#raise $w .
687	#}
688	update idletasks
689
690	tkwait variable expgui(dialogbutton)
691	catch {focus $oldFocus}
692	destroy $w
693	if {[string compare $oldGrab ""]} {
694	if {![string compare $grabStatus "global"]} {
695	grab -global $oldGrab
696	} else {
697	grab $oldGrab
698	}
699	}
700	# for windows rearrange window stacking
701	#if {$tcl_platform(platform) == "windows"} {
702	#raise .
703	#}
704	return $expgui(dialogbutton)
705	}
706
707	# -------- called to confirm before exiting
708	proc catchQuit {} {
709	if {[confirmBeforeSave] == "Continue"} {
710	destroy .
711	}
712	}
713	# save the .EXP file before exiting?
714	proc confirmBeforeSave {} {
715	global expgui
716	if !$expgui(changed) {
717	return "Continue"
718	}
719	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
720	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
721	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
722	switch $decision {
723	0 { savearchiveexp; return "Continue" }
724	1 { return "Continue" }
725	2 { return "Cancel" }
726	}
727	}
728
729	# setup buttons for each phase on the phase page
730	proc setphases {} {
731	global expgui expmap
732	eval destroy [winfo children $expgui(phaseFrame).top.ps]
733	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
734	foreach num $expmap(phaselist) type $expmap(phasetype) {
735	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
736	-command "SelectOnePhase $num" -padx 1.5m] -side left
737	if {$type > 3} {
738	$expgui(phaseFrame).top.ps.$num config -state disabled
739	}
740	}
741	if {[file executable $expgui(exptool)] && \
742	[llength $expmap(phaselist)]} {
743	pack [button $expgui(phaseFrame).top.ps.10 \
744	-text "Replace" -command MakeReplacePhaseBox \
745	] -side left
746	}
747	}
748
749	# Procedure to respond to changes the phase.
750	# This loads the "phases" widgets with data corresponding to the selected phase.
751	proc SelectOnePhase {num} {
752	global entryvar entrycmd entrybox expmap expgui
753	set crsPhase {}
754	$expgui(atomxform) config -text "Xform Atoms" -state disabled
755	foreach n $expmap(phaselist) type $expmap(phasetype) {
756	if {$n == $num && $type <= 3} {
757	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
758	set crsPhase $num
759	if {$type == 3} {
760	set expgui(phasetype) "Magnetic\nOnly"
761	} elseif {$type == 2} {
762	set expgui(phasetype) "Magnetic\n& Nuclear"
763	} elseif {$type == 4} {
764	# this is not used at present
765	set expgui(phasetype) "Macromolecular"
766	} else {
767	set expgui(phasetype) ""
768	}
769	} else {
770	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
771	}
772	}
773	# no phase is selected
774	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
775	# disable traces on entryvar
776	set entrycmd(trace) 0
777	set entrycmd(phasename) ""
778	set entryvar(phasename) ""
779	foreach ent {a b c alpha beta gamma cellref celldamp} {
780	set entrycmd($ent) ""
781	set entryvar($ent) ""
782	}
783	set expgui(curPhase) {}
784	# enable traces on entryvar
785	set entrycmd(trace) 1
786	$expgui(EditingAtoms) config -text ""
787	DisplayAtom 0 0
788	DisplayU 0 0
789	DisplayRefFlags 0 0
790	$expgui(atomlistbox) delete 0 end
791	return
792	}
793
794	set expgui(curPhase) $crsPhase
795	# we have a phase
796
797	# disable traces on entryvar for right now
798	set entrycmd(trace) 0
799
800	##########################################################
801	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
802	##########################################################
803	# phase title
804	set entrycmd(phasename) "phaseinfo $crsPhase name"
805	set entryvar(phasename) [phaseinfo $crsPhase name]
806	# cell parameters & flags
807	foreach ent {a b c alpha beta gamma cellref celldamp} {
808	set entrycmd($ent) "phaseinfo $crsPhase $ent"
809	set entryvar($ent) [phaseinfo $crsPhase $ent]
810	# reset item to black
811	catch {$entrybox($ent) config -fg black}
812	}
813
814	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
815	# initialize to diasbled
816	DisplayAtom 0 0
817	DisplayU 0 0
818	DisplayRefFlags 0 0
819	$expgui(EditingAtoms) config -text ""
820
821	DisplayAllAtoms
822
823	# enable traces on entryvar now
824	set entrycmd(trace) 1
825	}
826
827	set expgui(noreenterDisplayAllAtoms) 0
828	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
829	proc DisplayAllAtoms {"mode reset"} {
830	global entryvar entrycmd expmap expgui
831	# if it does not show, dont bother
832	if {$expgui(pagenow) != "phaseFrame"} return
833	if {$expgui(curPhase) == ""} return
834	if $expgui(noreenterDisplayAllAtoms) return
835
836	set expgui(noreenterDisplayAllAtoms) 1
837	if {$mode != "reset"} {
838	# save the scrolled position
839	set pos [lindex [$expgui(atomlistbox) yview] 0]
840	} else {
841	# this is a reset -- clear the selected atoms list
842	set expgui(selectedatomlist) {}
843	}
844	$expgui(atomlistbox) delete 0 end
845	# loop over atoms
846	set maxline I
847	set phase $expgui(curPhase)
848	set atomlist {}
849	set typehead "type "
850	set namehead " name "
851	set multhead "Mult"
852	set coordhead " "
853	set frachead "Occupancy"
854	if {$expgui(asorttype) == "type"} {
855	# sort on atom type
856	set typehead "type* "
857	foreach atom $expmap(atomlist_$phase) {
858	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
859	}
860	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
861	} elseif {$expgui(asorttype) == "number"} {
862	# sort on atom number
863	set namehead "* name "
864	foreach atom $expmap(atomlist_$phase) {
865	lappend atomlist "$atom $atom $phase"
866	}
867	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
868	} elseif {$expgui(asorttype) == "mult"} {
869	# sort on atom number
870	set multhead "Mlt*"
871	foreach atom $expmap(atomlist_$phase) {
872	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
873	}
874	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
875	} elseif {$expgui(asorttype) == "occupancy"} {
876	# sort on atom number
877	set frachead " Occup* "
878	foreach atom $expmap(atomlist_$phase) {
879	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
880	}
881	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
882	} elseif {$expgui(asorttype) == "x"} {
883	# sort on x
884	set coordhead "(x*)"
885	foreach atom $expmap(atomlist_$phase) {
886	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
887	}
888	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
889	} elseif {$expgui(asorttype) == "y"} {
890	# sort on y
891	set coordhead "(y*)"
892	foreach atom $expmap(atomlist_$phase) {
893	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
894	}
895	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
896	} elseif {$expgui(asorttype) == "z"} {
897	# sort on z
898	set coordhead "(z*)"
899	foreach atom $expmap(atomlist_$phase) {
900	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
901	}
902	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
903	} else {
904	error "Bad expgui(asorttype) = $expgui(asorttype)"
905	}
906
907	foreach tuple $expmap(atomlistboxcontents) {
908	set atom [lindex $tuple 0]
909	set phase [lindex $tuple 2]
910	set refflag {}
911	foreach type {x u f} {
912	if {[atominfo $phase $atom ${type}ref]} {
913	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
914	} else {
915	append refflag " [atominfo $phase $atom ${type}damp] "
916	}
917	}
918	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
919	$atom \
920	[atominfo $phase $atom label] \
921	[atominfo $phase $atom type] \
922	$refflag \
923	[atominfo $phase $atom x] \
924	[atominfo $phase $atom y] \
925	[atominfo $phase $atom z] \
926	[atominfo $phase $atom mult] \
927	[atominfo $phase $atom frac]
928	]
929
930	# add temperature factors (iso/anoiso)
931	if {[atominfo $phase $atom temptype] == "A"} {
932	set maxline A
933	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
934	[atominfo $phase $atom U11] \
935	[atominfo $phase $atom U22] \
936	[atominfo $phase $atom U33] \
937	[atominfo $phase $atom U12] \
938	[atominfo $phase $atom U23] \
939	[atominfo $phase $atom U13]
940	]
941	} else {
942	append line [format " %9.5f" \
943	[atominfo $phase $atom Uiso]
944	]
945	}
946	$expgui(atomlistbox) insert end $line
947	}
948	$expgui(atomtitle) delete 0 end
949	if {$maxline == "A"} {
950	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
951	$namehead $typehead "ref/damp " \
952	"fractional coordinates$coordhead" \
953	"$multhead $frachead" \
954	" Uiso/Uij "]
955	} else {
956	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
957	$namehead $typehead "ref/damp " \
958	"fractional coordinates$coordhead" \
959	"$multhead $frachead" \
960	" Uiso"]
961	}
962	if {$mode != "reset"} {
963	# restore the selected items
964	foreach i $expgui(selectedatomlist) {
965	$expgui(atomlistbox) selection set $i
966	}
967	# restore the last scrolled position
968	$expgui(atomlistbox) yview moveto $pos
969	}
970	set expgui(noreenterDisplayAllAtoms) 0
971	}
972
973	# Procedure to select all atoms in response to a right-click
974	proc SelectAllAtoms {} {
975	global expgui
976	$expgui(atomlistbox) selection set 0 end
977	# call editRecord in case trace was called before the selection was made
978	editRecord
979	}
980
981	# Procedure to respond to left mouse release in the atoms Pane
982	proc editRecord { args } {
983	global entrycmd expgui
984	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
985	# disable traces on entryvar for right now
986	set entrycmd(trace) 0
987
988	if {[llength $expgui(selectedatomlist)] == 0} {
989	if $expgui(debug) {error "Attempt display non-existent atoms"}
990	} elseif {[llength $expgui(selectedatomlist)] == 1} {
991	editOneRecord $expgui(selectedatomlist)
992	} else {
993	editMultipleRecords $expgui(selectedatomlist)
994	}
995	# reenable traces on entryvar
996	set entrycmd(trace) 1
997	# repaint the atoms box in case anything was changed
998	# DisplayAllAtoms noreset
999	}
1000
1001	proc editOneRecord { AtomIndex } {
1002	global expmap expgui
1003	# get atom number & phase
1004	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1005	set atomnum [lindex $tuple 0]
1006	set p [lindex $tuple 2]
1007	DisplayU $atomnum $p
1008	DisplayAtom $atomnum $p
1009	DisplayRefFlags $atomnum $p
1010	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
1011	$expgui(atomxform) config -text "Xform Atom" -state normal
1012	}
1013
1014	# this will not work for a multi-phase list of atoms (yet)
1015	proc editMultipleRecords { AtomIndexList } {
1016	global expmap expgui
1017	set numberList {}
1018	# current phase
1019	set p $expgui(curPhase)
1020	foreach AtomIndex $AtomIndexList {
1021	# get atom number & phase
1022	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1023	lappend numberList [lindex $tuple 0]
1024	# set p [lindex $tuple 2]
1025	}
1026	# this needs to track by phase
1027	$expgui(EditingAtoms) config -text \
1028	"Set refinement options: atoms [CompressList $numberList]"
1029	DisplayU 0 0
1030	DisplayAtom 0 0
1031	# this needs to track by phase
1032	DisplayRefFlags $numberList $p
1033	$expgui(atomxform) config -text "Xform Atoms" -state normal
1034	}
1035
1036	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
1037	# becomes "1-4,6,7,13-15,19"
1038	proc CompressList {numberList} {
1039	# format the number list to save space
1040	set lastnum -99
1041	set flist {}
1042	set count 0
1043	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
1044	foreach num $sortlist {
1045	set next [expr $lastnum+1]
1046	if {$num != $next} {
1047	if {$count == 0 && $flist != ""} {
1048	append flist ",$num"
1049	} elseif {$count == 1 && $flist != ""} {
1050	append flist ",$lastnum,$num"
1051	} elseif {$flist != ""} {
1052	append flist "-$lastnum,$num"
1053	} else {
1054	append flist "$num"
1055	}
1056	set lastnum $num
1057	set count 0
1058	} else {
1059	incr count
1060	incr lastnum
1061	}
1062	}
1063	if {$count == 1 && $flist != ""} {
1064	append flist ",$lastnum"
1065	} elseif {$flist != "" && $count > 1} {
1066	append flist "-$lastnum"
1067	}
1068	return $flist
1069	}
1070
1071	# Procedure to display Isotropic or Anisotropic temperature factors
1072	# Changes the display to one entry widget for Isotropic motion OR
1073	# 6 entry widgets for Anisotropic motion in Frame3.
1074	# or disables the widet entirly if atom = 0
1075	proc DisplayU { atomnum p} {
1076	global expgui entryvar entrycmd
1077	if {$atomnum == 0} {
1078	set iOrA disable
1079	} else {
1080	set iOrA [atominfo $p $atomnum temptype]
1081	}
1082
1083	set firstbox [lindex $expgui(anisolabels) 0]
1084	if { $iOrA == "A" } {
1085	$firstbox config -text "U11 "
1086	foreach item $expgui(anisolabels) {
1087	$item config -fg black
1088	}
1089	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1090	set entrycmd($var) "atominfo $p $atomnum $var"
1091	set entryvar($var) [eval $entrycmd($var)]
1092	$item config -fg black -state normal -bg white
1093	}
1094	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1095	foreach item $expgui(anisolabels) {
1096	$item config -fg $expgui(bkgcolor1)
1097	}
1098	foreach item [lrange $expgui(anisoentry) 1 end] \
1099	var {U22 U33 U12 U13 U23} {
1100	set entrycmd($var) ""
1101	set entryvar($var) ""
1102	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1103	-state disabled
1104	}
1105	if { $iOrA == "disable"} {
1106	set entrycmd($var) ""
1107	set entryvar($var) ""
1108	[lindex $expgui(anisoentry) 0] config \
1109	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1110	-state disabled
1111	} else {
1112	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1113	set entryvar(U11) [eval $entrycmd(U11)]
1114	$firstbox config -text Uiso -fg black
1115	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1116	}
1117	}
1118	}
1119
1120	# need to think about multiple phases
1121
1122	# Procedure to display refinement flags
1123	proc DisplayRefFlags { atomnum p} {
1124	global expgui entryvar entrycmd
1125	if {$atomnum == 0} {
1126	foreach label $expgui(atomreflbl) {
1127	$label config -fg $expgui(bkgcolor1)
1128	}
1129	foreach entry $expgui(atomref) {
1130	$entry config -state disabled \
1131	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1132	# turn off checkbuttons
1133	catch {$entry deselect}
1134
1135	}
1136	return
1137	}
1138	foreach label $expgui(atomreflbl) {
1139	$label config -fg black
1140	}
1141	foreach entry $expgui(atomref) {
1142	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1143	}
1144	foreach var {xref uref fref xdamp udamp fdamp} {
1145	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1146	set entryvar($var) [eval $entrycmd($var)]
1147	}
1148	}
1149
1150	# Procedure to display an atom in the atom edit boxes
1151	proc DisplayAtom { atomnum p} {
1152	global expgui entryvar entrycmd
1153	if {$atomnum == 0} {
1154	foreach label $expgui(atomlabels) {
1155	$label config -fg $expgui(bkgcolor1)
1156	}
1157	foreach entry $expgui(atomentry) {
1158	$entry config -state disabled \
1159	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1160	}
1161	return
1162	}
1163	foreach label $expgui(atomlabels) {
1164	$label config -fg black
1165	}
1166	foreach entry $expgui(atomentry) {
1167	$entry config -state normal -fg black -bg white
1168	}
1169	foreach var {x y z label frac } {
1170	set entrycmd($var) "atominfo $p $atomnum $var"
1171	set entryvar($var) [eval $entrycmd($var)]
1172	}
1173	}
1174
1175	# make a histogram box; used in MakeHistPane,
1176	proc MakeHistBox {frm} {
1177	global expgui
1178	grid [label $frm.mode -text "Select a Histogram" \
1179	-bg beige -anchor center] \
1180	-row 0 -column 0 -columnspan 2 -sticky ew
1181	bind $frm.mode <Button-1> {
1182	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1183	set expgui(globalmode) [lindex \
1184	"$expgui(AllowedHistSelectModes) \
1185	$expgui(AllowedHistSelectModes)" [incr i]]
1186	sethistlist
1187	}
1188	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1189	grid [listbox $frm.title -height 1 -relief flat \
1190	-exportselection 0 ] -row 1 -column 0 -sticky ew
1191	grid [listbox $frm.lbox -height 10 -width 25 \
1192	-exportselection 0 \
1193	-xscrollcommand "$frm.x set" \
1194	-yscrollcommand "$frm.y set" \
1195	] -row 2 -column 0 -sticky news
1196	lappend expgui(HistSelectList) $frm
1197	grid [scrollbar $frm.x -orient horizontal \
1198	-command "move2boxesX \" $frm.title $frm.lbox \" "
1199	] -row 3 -column 0 -sticky ew
1200	grid [scrollbar $frm.y \
1201	-command "$frm.lbox yview"] \
1202	-row 2 -column 1 -sticky ns
1203	grid columnconfigure $frm 0 -weight 1
1204	grid rowconfigure $frm 2 -weight 1
1205	}
1206
1207	# update the histogram list
1208	# to do: show histogram ref flags?
1209	proc sethistlist {} {
1210	global expgui expmap
1211	array set lbl {
1212	1 "Select 1 or more\nTOF Histograms"
1213	2 "Select 1 or more\nCW Neutron Histograms"
1214	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1215	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1216	5 "Select 1 or more Energy\nDispersive X-ray Histograms"
1217	6 "Select 1 or more of\n any type Histograms"
1218	}
1219	foreach lbox $expgui(HistSelectList) {
1220	$lbox.title delete 0 end
1221	$lbox.lbox delete 0 end
1222	if {$expgui(globalmode) != 0} {
1223	$lbox.lbox config -selectmode extended
1224	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1225	} else {
1226	$lbox.lbox config -selectmode browse
1227	$lbox.mode config -text "Select a histogram" -bg beige
1228	}
1229	}
1230	# disable the unallowed pages in all mode
1231	if {$expgui(globalmode) == 6} {
1232	foreach pair $expgui(GlobalModeAllDisable) {
1233	if {$expgui(pagenow) == [lindex $pair 0]} {
1234	RaisePage lsFrame
1235	}
1236	eval [lindex $pair 1] -state disabled
1237	}
1238	} else {
1239	foreach pair $expgui(GlobalModeAllDisable) {
1240	eval [lindex $pair 1] -state normal
1241	}
1242	}
1243	set histlist {}
1244	if {$expgui(hsorttype) == "type"} {
1245	# sort on histogram type
1246	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1247	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1248	}
1249	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1250	} elseif {$expgui(hsorttype) == "number"} {
1251	# sort on histogram number
1252	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1253	lappend histlist "$h $h"
1254	}
1255	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1256	} elseif {$expgui(hsorttype) == "bank"} {
1257	# sort on original bank number
1258	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1259	lappend histlist "$h [histinfo $h bank]"
1260	}
1261	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1262	} elseif {$expgui(hsorttype) == "angle"} {
1263	# sort on wavelength (CW) or angle (E disp.)
1264	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1265	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1266	set det [format %8.2f [histinfo $h tofangle]]
1267	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1268	set det [format %8.5f [histinfo $h lam1]]
1269	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1270	set det [format %8.2f [histinfo $h lam1]]
1271	} else {
1272	set det {}
1273	}
1274	lappend histlist "$h $det"
1275	}
1276	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1277	}
1278
1279	# title field needs to match longest title
1280	foreach lbox $expgui(HistSelectList) {
1281	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1282	"h#" \
1283	type \
1284	bank \
1285	"ang/wave" \
1286	" title" \
1287	]
1288	}
1289	foreach tuple $expmap(histlistboxcontents) {
1290	set h [lindex $tuple 0]
1291
1292	if {$expgui(globalmode) == 1} {
1293	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1294	} elseif {$expgui(globalmode) == 2} {
1295	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1296	} elseif {$expgui(globalmode) == 3} {
1297	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1298	[histinfo $h lam2] == 0.0} continue
1299	} elseif {$expgui(globalmode) == 4} {
1300	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1301	[histinfo $h lam2] != 0.0} continue
1302	} elseif {$expgui(globalmode) == 5} {
1303	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1304	}
1305
1306	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1307	set det [format %8.2f [histinfo $h tofangle]]
1308	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1309	set det [format %8.5f [histinfo $h lam1]]
1310	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1311	set det [format %8.2f [histinfo $h lam1]]
1312	} else {
1313	set det {}
1314	}
1315	foreach lbox $expgui(HistSelectList) {
1316	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1317	$h \
1318	[string range $expmap(htype_$h) 1 3] \
1319	[histinfo $h bank] \
1320	$det \
1321	[string range [histinfo $h title] 0 66] \
1322	]
1323	}
1324	}
1325	UpdateCurrentPage
1326	}
1327
1328	proc UpdateCurrentPage {} {
1329	global expgui
1330	foreach set $expgui(frameactionlist) {
1331	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1332	}
1333	}
1334
1335	#-----------------------------------------------------------------------
1336	# ----------- draw Histogram page
1337	#-----------------------------------------------------------------------
1338	proc DisplayHistogram {} {
1339	global expgui entrycmd entryvar entrybox expmap
1340
1341	# trap if more than one histogram is selected unless global mode
1342	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1343	set expgui(curhist) [lindex $expgui(curhist) 0]
1344	}
1345
1346	# disable the add histogram button if no phases are present
1347	catch {
1348	foreach c [winfo children $expgui(histFrame).bb] {
1349	if {[llength $expmap(phaselist)] == 0} {
1350	$c configure -state disabled
1351	} else {
1352	$c configure -state normal
1353	}
1354	}
1355	}
1356
1357	# display the selected histograms
1358	$expgui(histFrame).hs.lbox selection clear 0 end
1359	foreach h $expgui(curhist) {
1360	$expgui(histFrame).hs.lbox selection set $h
1361	}
1362
1363	# disable traces on entryvar for right now
1364	set entrycmd(trace) 0
1365
1366	# get histogram list
1367	set histlist {}
1368	foreach item $expgui(curhist) {
1369	lappend histlist [lindex $expmap(powderlist) $item]
1370	}
1371	# must have at least one histogram selected here
1372	if {[llength $histlist] == 0} {
1373	set expgui(backtermlbl) ""
1374	set expgui(backtypelbl) ""
1375	foreach var {bref bdamp} {
1376	set entrycmd($var) ""
1377	set entryvar($var) ""
1378	}
1379	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1380	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1381	set expgui(bkglbl) ""
1382	eval destroy [winfo children $expgui(diffBox)]
1383	set entrycmd(trace) 1
1384	return
1385	}
1386
1387	if {$expgui(globalmode) != 0} {
1388	set expgui(backtermlbl) ""
1389	set expgui(backtypelbl) ""
1390	foreach var {bref bdamp} {
1391	set entrycmd($var) "histinfo [list $histlist] $var"
1392	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1393	}
1394	} else {
1395	set hist $histlist
1396	set terms [histinfo $hist backterms]
1397	set expgui(backtermlbl) "($terms terms)"
1398	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1399	foreach var {bref bdamp} {
1400	set entrycmd($var) "histinfo $hist $var"
1401	set entryvar($var) [eval $entrycmd($var)]
1402	}
1403	}
1404	# Top box
1405	if $expgui(haveBW) {
1406	catch {destroy $expgui(histFrame).pflag}
1407	}
1408	if {$expgui(globalmode) != 0} {
1409	$expgui(histFrame).top.txt config \
1410	-text "Selected Histograms: [CompressList $histlist]"
1411	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1412	set expgui(bkglbl) "Globally Edit Background"
1413	} else {
1414	grid forget $expgui(histFrame).top
1415	set expgui(bkglbl) "Edit Background"
1416	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1417	TitleFrame $expgui(histFrame).pflag \
1418	-borderwidth 4 -side left -relief groove \
1419	-text "Phase Flags"
1420	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1421	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1422	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1423	foreach p $expmap(phaselist) {
1424	pack [checkbutton $expgui(pflag).$p \
1425	-command "GetPhaseFlags $hist" \
1426	-variable expgui(pflag$p) -text $p] -side left
1427	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1428	set expgui(pflag$p) 0
1429	} else {
1430	set expgui(pflag$p) 1
1431	}
1432	}
1433	}
1434	}
1435
1436	# diffractometer constants
1437	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1438	wref pref dcref daref ratref ttref zref } {
1439	set entrycmd($var) "histinfo [list $histlist] $var"
1440	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1441	}
1442
1443	eval destroy [winfo children $expgui(diffBox)]
1444	if {$expgui(globalmode) == 0} {
1445	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1446	#------
1447	# TOF \|
1448	#------
1449	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1450	-column 1 -row 1
1451	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1452	-column 2 -row 1
1453	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1454	-column 3 -row 1 -sticky w
1455	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1456	-width 15 ] -column 4 -row 1
1457	set entrybox(lam1) $expgui(diffBox).eDCdifc
1458	#
1459	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1460	-column 1 -row 2
1461	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1462	-column 2 -row 2
1463	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1464	-column 3 -row 2
1465	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1466	-width 15 ] -column 4 -row 2
1467	set entrybox(lam2) $expgui(diffBox).eDCdifa
1468	#
1469	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1470	-column 3 -row 3
1471	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1472	-width 15 ] -column 4 -row 3
1473	set entrybox(zero) $expgui(diffBox).eDCzero
1474	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1475	-column 1 -row 3 -sticky w
1476	grid [ checkbutton $expgui(diffBox).rfDCzref \
1477	-variable entryvar(zref) ] -column 2 -row 3
1478	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1479	#---------------
1480	# CW - neutron \|
1481	#---------------
1482	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1483	-column 1 -row 1
1484	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1485	-column 2 -row 1
1486	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1487	-column 3 -row 1 -sticky w
1488	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1489	-width 15 ] -column 4 -row 1
1490	set entrybox(lam1) $expgui(diffBox).eDCdifc
1491	#
1492	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1493	-column 1 -row 3 -sticky w
1494	grid [ checkbutton $expgui(diffBox).rfDCzref \
1495	-variable entryvar(zref) ] -column 2 -row 3
1496	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1497	-column 3 -row 3
1498	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1499	-width 15 ] -column 4 -row 3
1500	set entrybox(zero) $expgui(diffBox).eDCzero
1501	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1502	[histinfo $hist lam2] == 0.0} {
1503	#--------------------------
1504	# CW - x-ray 1 wavelength \|
1505	#--------------------------
1506	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1507	-column 1 -row 1
1508	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1509	-column 2 -row 1
1510	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1511	-column 3 -row 1 -sticky w
1512	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1513	-width 15 ] -column 4 -row 1
1514	set entrybox(lam1) $expgui(diffBox).eDCdifc
1515	#
1516	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1517	-column 1 -row 3 -sticky w
1518	grid [ checkbutton $expgui(diffBox).rfDCzref \
1519	-variable entryvar(zref) ] -column 2 -row 3
1520	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1521	-column 3 -row 3
1522	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1523	-width 15 ] -column 4 -row 3
1524	set entrybox(zero) $expgui(diffBox).eDCzero
1525	#
1526	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1527	-column 1 -row 4 -sticky w
1528	grid [ checkbutton $expgui(diffBox).rfDCpref \
1529	-variable entryvar(pref) ] -column 2 -row 4
1530	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1531	-column 3 -row 4
1532	grid [ entry $expgui(diffBox).eDCpola \
1533	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1534	set entrybox(pola) $expgui(diffBox).eDCpola
1535	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1536	-column 5 -row 4
1537	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1538	-textvariable entryvar(ipola)] -column 6 -row 4
1539	set entrybox(ipola) $expgui(diffBox).eDCipola
1540	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1541	#---------------------------
1542	# CW - x-ray 2 wavelengths \|
1543	#---------------------------
1544	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1545	-column 3 -row 1 -sticky w
1546	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1547	-width 15 ] -column 4 -row 1
1548	set entrybox(lam1) $expgui(diffBox).eDCdifc
1549	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1550	-width 15 ] -column 5 -row 1
1551	set entrybox(lam2) $expgui(diffBox).eDCdifa
1552	#
1553	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1554	-column 1 -row 2 -sticky w
1555	grid [ checkbutton $expgui(diffBox).rfDCrref \
1556	-variable entryvar(ratref) ] -column 2 -row 2
1557	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1558	-column 3 -row 2
1559	grid [ entry $expgui(diffBox).eDCkratio \
1560	-textvariable entryvar(kratio) \
1561	-width 15 ] -column 4 -row 2
1562	set entrybox(kratio) $expgui(diffBox).eDCkratio
1563	#
1564	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1565	-column 3 -row 3
1566	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1567	-width 15 ] -column 4 -row 3
1568	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1569	-column 1 -row 3 -sticky w
1570	set entrybox(zero) $expgui(diffBox).eDCzero
1571	grid [ checkbutton $expgui(diffBox).rfDCzref \
1572	-variable entryvar(zref) ] -column 2 -row 3
1573	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1574	-column 1 -row 4 -sticky w
1575	grid [ checkbutton $expgui(diffBox).rfDCpref \
1576	-variable entryvar(pref) ] -column 2 -row 4
1577	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1578	-column 3 -row 4
1579	grid [ entry $expgui(diffBox).eDCpola \
1580	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1581	set entrybox(pola) $expgui(diffBox).eDCpola
1582	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1583	-column 5 -row 4
1584	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1585	-textvariable entryvar(ipola)] -column 6 -row 4
1586	set entrybox(ipola) $expgui(diffBox).eDCipola
1587	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1588	#-------------
1589	# ED - x-ray \|
1590	#-------------
1591	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1592	-column 1 -row 1
1593	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1594	-column 2 -row 1
1595	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1596	-column 3 -row 1 -sticky w
1597	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1598	-width 15 ] -column 4 -row 1
1599	set entrybox(lam1) $expgui(diffBox).eDCdifc
1600	#
1601	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1602	-column 1 -row 4 -sticky w
1603	grid [ checkbutton $expgui(diffBox).rfDCpref \
1604	-variable entryvar(pref) ] -column 2 -row 4
1605	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1606	-column 3 -row 4
1607	grid [ entry $expgui(diffBox).eDCpola \
1608	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1609	set entrybox(pola) $expgui(diffBox).eDCpola
1610	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1611	-column 5 -row 4
1612	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1613	-textvariable entryvar(ipola)] -column 6 -row 4
1614	set entrybox(ipola) $expgui(diffBox).eDCipola
1615	}
1616	} elseif {$expgui(globalmode) == 1} {
1617	#-------------
1618	# Global TOF \|
1619	#-------------
1620	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1621	-column 1 -row 1
1622	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1623	-column 2 -row 1
1624	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1625	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1626	#
1627	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1628	-column 1 -row 2
1629	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1630	-column 2 -row 2
1631	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1632	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1633	#
1634	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1635	-column 1 -row 3 -sticky w
1636	grid [ checkbutton $expgui(diffBox).rfDCzref \
1637	-variable entryvar(zref) ] -column 2 -row 3
1638	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1639	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1640	} elseif {$expgui(globalmode) == 2} {
1641	#--------------------
1642	# Global CW neutron \|
1643	#--------------------
1644	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1645	-column 1 -row 1
1646	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1647	-column 2 -row 1
1648	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1649	-command "editglobalparm histinfo lam1 Wavelength"] \
1650	-column 3 -row 1
1651	#
1652	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1653	-column 1 -row 3 -sticky w
1654	grid [ checkbutton $expgui(diffBox).rfDCzref \
1655	-variable entryvar(zref) ] -column 2 -row 3
1656	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1657	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1658	} elseif {$expgui(globalmode) == 4} {
1659	#----------------------
1660	# Global CW mono xray \|
1661	#----------------------
1662	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1663	-column 1 -row 1
1664	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1665	-column 2 -row 1
1666	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1667	-command "editglobalparm histinfo lam1 Wavelength"] \
1668	-column 3 -row 1
1669	#
1670	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1671	-column 1 -row 3 -sticky w
1672	grid [ checkbutton $expgui(diffBox).rfDCzref \
1673	-variable entryvar(zref) ] -column 2 -row 3
1674	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1675	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1676	#
1677	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1678	-column 1 -row 4 -sticky w
1679	grid [ checkbutton $expgui(diffBox).rfDCpref \
1680	-variable entryvar(pref) ] -column 2 -row 4
1681	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1682	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1683	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1684	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1685	} elseif {$expgui(globalmode) == 3} {
1686	#------------------------
1687	# Global alpha 1,2 xray \|
1688	#------------------------
1689	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1690	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1691	-column 3 -row 1
1692	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1693	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1694	-column 4 -row 1
1695	#
1696	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1697	-column 1 -row 3 -sticky w
1698	grid [ checkbutton $expgui(diffBox).rfDCratref \
1699	-variable entryvar(ratref) ] -column 2 -row 3
1700	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1701	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1702	-column 3 -row 3
1703	#
1704	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1705	-column 1 -row 3 -sticky w
1706	grid [ checkbutton $expgui(diffBox).rfDCzref \
1707	-variable entryvar(zref) ] -column 2 -row 3
1708	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1709	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1710	#
1711	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1712	-column 1 -row 4 -sticky w
1713	grid [ checkbutton $expgui(diffBox).rfDCpref \
1714	-variable entryvar(pref) ] -column 2 -row 4
1715	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1716	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1717	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1718	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1719	} elseif {$expgui(globalmode) == 5} {
1720	#-----------------
1721	# Global ED xray \|
1722	#-----------------
1723	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1724	-column 1 -row 1
1725	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1726	-column 2 -row 1
1727	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1728	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1729	-column 3 -row 1
1730	#
1731	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1732	-column 1 -row 4 -sticky w
1733	grid [ checkbutton $expgui(diffBox).rfDCpref \
1734	-variable entryvar(pref) ] -column 2 -row 4
1735	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1736	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1737	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1738	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1739	}
1740	if {$expgui(globalmode) == 0} {
1741	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1742	-columnspan 2 -sticky e
1743	} else {
1744	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1745	-columnspan 2 -sticky e
1746	}
1747	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1748	-column 1 -row 1
1749	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1750	grid $expgui(diffBox).d.om -column 2 -row 1
1751	grid columnconfigure $expgui(diffBox) 9 -weight 1
1752	grid columnconfigure $expgui(diffBox) 0 -weight 1
1753	update idletasks
1754	# enable traces on entryvar now
1755	set entrycmd(trace) 1
1756	}
1757
1758	# this gets the phase flags as set in the expgui(pflag*) elements
1759	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1760	# accordingly using SetPhaseFlag
1761	proc GetPhaseFlags {hist} {
1762	global expmap expgui
1763	set plist {}
1764	foreach p $expmap(phaselist) {
1765	if {$expgui(pflag$p)} {lappend plist $p}
1766	}
1767	SetPhaseFlag $hist $plist
1768	incr expgui(changed)
1769	mapexp
1770	}
1771
1772	#-----------------------------------------------------------------------
1773	# populate the Scaling page
1774	#-----------------------------------------------------------------------
1775	proc DisplayFrac {} {
1776	global expgui entrycmd entryvar entrybox expmap
1777
1778	# trap if more than one histogram is selected unless global mode
1779	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1780	set expgui(curhist) [lindex $expgui(curhist) 0]
1781	}
1782
1783	# display the selected histograms
1784	$expgui(fracFrame).hs.lbox selection clear 0 end
1785	foreach h $expgui(curhist) {
1786	$expgui(fracFrame).hs.lbox selection set $h
1787	}
1788
1789	# disable traces on entryvar
1790	set entrycmd(trace) 0
1791
1792	# get histogram list
1793	set histlist {}
1794	foreach item $expgui(curhist) {
1795	lappend histlist [lindex $expmap(powderlist) $item]
1796	}
1797
1798	# must have at least one histogram selected here
1799	if {[llength $histlist] == 0} {
1800	foreach var {scale sref sdamp} {
1801	set entrycmd($var) ""
1802	set entryvar($var) ""
1803	}
1804	set parm [grid info $expgui(scaleBox).but1]
1805	if {$parm != ""} {
1806	grid forget $expgui(scaleBox).but1
1807	eval grid $expgui(scaleBox).ent1 $parm
1808	}
1809	# destroy the contents of the frame
1810	set phaseFractf1 $expgui(FracBox).f
1811	eval destroy [winfo children $phaseFractf1]
1812	# reenable traces on entryvar
1813	set entrycmd(trace) 1
1814	return
1815	}
1816
1817	#--------------
1818	# Scale factor
1819	#--------------
1820	if {$expgui(globalmode) != 0} {
1821	foreach var {scale sref sdamp} {
1822	set entrycmd($var) "histinfo [list $histlist] $var"
1823	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1824	}
1825	# reset scale to black
1826	catch {$entrybox(scale) config -fg black}
1827	set parm [grid info $expgui(scaleBox).ent1]
1828	if {$parm != ""} {
1829	grid forget $expgui(scaleBox).ent1
1830	eval grid $expgui(scaleBox).but1 $parm
1831	}
1832	} else {
1833	set hist $histlist
1834	foreach var {scale sref sdamp} {
1835	set entrycmd($var) "histinfo $hist $var"
1836	set entryvar($var) [eval $entrycmd($var)]
1837	}
1838	# reset scale to black
1839	catch {$entrybox(scale) config -fg black}
1840	set parm [grid info $expgui(scaleBox).but1]
1841	if {$parm != ""} {
1842	grid forget $expgui(scaleBox).but1
1843	eval grid $expgui(scaleBox).ent1 $parm
1844	}
1845	}
1846
1847	#----------------
1848	# Phase Fractions
1849	#----------------
1850	set phaseFractf1 $expgui(FracBox).f
1851	# destroy the contents of the frame
1852	eval destroy [winfo children $phaseFractf1]
1853	if {$expgui(globalmode) != 0} {
1854	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1855	} else {
1856	set txt "Phase Fractions"
1857	}
1858	if $expgui(haveBW) {
1859	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1860	} else {
1861	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1862	-column 0 -row 0 -sticky news
1863	}
1864	# Create the frame inside the canvas, One frame for each Phase.
1865	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1866	foreach hist $histlist {
1867	foreach i $expmap(phaselist_$hist) {
1868	lappend phasehistlist($i) $hist
1869	}
1870	}
1871	foreach i {1 2 3 4 5 6 7 8 9} {
1872	if {[llength $phasehistlist($i)] == 0} continue
1873	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1874	grid $framePF -column 0 -row $i -sticky ew
1875	# Label Heading for each phase.
1876	if {$expgui(globalmode) != 0} {
1877	grid [label $framePF.l1 \
1878	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1879	-column 0 -row 0 -sticky nws
1880	grid [button $framePF.but1 -text "Set Globally" \
1881	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1882	[list $phasehistlist($i)] $i" \
1883	] -column 1 -row 0
1884	} else {
1885	grid [label $framePF.l1 -text "Phase $i"] \
1886	-column 0 -row 0 -sticky nws
1887	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1888	-column 1 -row 0
1889	set entrybox(frac$i) $framePF.ent
1890	}
1891	set entrycmd(frac$i) "hapinfo $hist $i frac"
1892	set entryvar(frac$i) [hapinfo $hist $i frac]
1893	grid [label $framePF.l2 -text " Refine"] \
1894	-column 2 -row 0 -sticky nws
1895	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1896	-column 3 -row 0 -sticky nws
1897	set entrycmd(frref$i) "hapinfo $hist $i frref"
1898	set entryvar(frref$i) [hapinfo $hist $i frref]
1899	grid [label $framePF.l3 -text " Damping"] \
1900	-column 4 -row 0 -sticky nws
1901	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1902	0 1 2 3 4 5 6 7 8 9
1903	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1904	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1905	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1906	}
1907	# resize the scroll window to match the actual
1908	update idletasks
1909	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1910	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1911	update idletasks
1912	# enable traces on entryvar now
1913	set entrycmd(trace) 1
1914	}
1915
1916	#-----------------------------------------------------------------------
1917	# display the profile page
1918	#-----------------------------------------------------------------------
1919	proc DisplayProfile {} {
1920	global expgui entrycmd entryvar entrybox expmap
1921
1922	# trap if more than one histogram is selected unless global mode
1923	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1924	set expgui(curhist) [lindex $expgui(curhist) 0]
1925	}
1926	# display the selected histograms
1927	$expgui(profFrame).hs.lbox selection clear 0 end
1928	foreach h $expgui(curhist) {
1929	$expgui(profFrame).hs.lbox selection set $h
1930	}
1931
1932	# destroy the contents of the frame
1933	eval destroy [winfo children $expgui(ProfileBox).f]
1934	# since the next steps can take a while, do a screen update
1935	update idletasks
1936
1937	if {$expgui(globalmode) == 0} {
1938	# must have at least one histogram selected here
1939	if {[llength $expgui(curhist)] == 0} return
1940	# disable traces on entryvar for right now
1941	set entrycmd(trace) 0
1942	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1943	# no defined histograms?
1944	if {$hist == ""} return
1945	# Create one frame for each Phase.
1946	set ind -1
1947	set htype [string range $expmap(htype_$hist) 2 2]
1948	foreach i $expmap(phaselist_$hist) {
1949	incr ind
1950	# Label Heading for each phase.
1951	set ptype [string trim [hapinfo $hist $i proftype]]
1952	if {$expgui(haveBW)} {
1953	grid [TitleFrame $expgui(ProfileBox).f.$i \
1954	-text "Hist $hist -- Phase $i (type $ptype)" \
1955	-relief groove -bd 2] \
1956	-column 0 -row $ind -sticky ew
1957	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1958	grid [frame $ProfileFrame.1] \
1959	-column 0 -row 0 -columnspan 10
1960	pack [label $ProfileFrame.1.l \
1961	-text Damping]\
1962	-side left
1963	} else {
1964	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1965	-column 0 -row $ind -sticky ew
1966	set ProfileFrame $expgui(ProfileBox).f.$i
1967	grid [frame $ProfileFrame.1] \
1968	-column 0 -row 0 -columnspan 10 -sticky ew
1969	pack [label $ProfileFrame.1.l \
1970	-text "Phase $i (type $ptype) Damping"]\
1971	-side left
1972	}
1973	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1974	0 1 2 3 4 5 6 7 8 9
1975	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1976	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1977	pack $ProfileFrame.1.tkOptDamp -side left
1978	pack [label $ProfileFrame.1.l1 \
1979	-text " Peak cutoff"]\
1980	-side left
1981	pack [entry $ProfileFrame.1.e1 \
1982	-width 10 -textvariable entryvar(pcut_$i)]\
1983	-side left
1984	set entrybox(pcut_$i) $ProfileFrame.1.e1
1985	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1986	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1987
1988	pack [button $ProfileFrame.1.b1 \
1989	-text "Change Type" \
1990	-command "ChangeProfileType $hist $i"]\
1991	-side left
1992
1993	set col -1
1994	set row 1
1995	set nterms [hapinfo $hist $i profterms]
1996	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1997	for { set num 1 } { $num <= $nterms } { incr num } {
1998	set term {}
1999	catch {set term [lindex $lbls $num]}
2000	if {$term == ""} {set term $num}
2001	incr col
2002	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
2003	-row $row -column $col
2004	incr col
2005	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2006	-variable entryvar(pref${num}_$i)] -row $row -column $col
2007	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
2008	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
2009	incr col
2010	grid [entry $ProfileFrame.ent${num}_${i} \
2011	-textvariable entryvar(pterm${num}_$i)\
2012	-width 12] -row $row -column $col
2013	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
2014	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
2015	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
2016	if {$col > 6} {set col -1; incr row}
2017	}
2018	}
2019	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2020	} else {
2021	# get histogram list
2022	set histlist {}
2023	foreach item $expgui(curhist) {
2024	lappend histlist [lindex $expmap(powderlist) $item]
2025	}
2026	# must have at least one histogram selected here
2027	if {[llength $histlist] == 0} return
2028	# disable traces on entryvar for right now
2029	set entrycmd(trace) 0
2030	# loop through histograms & phases, set up an array by phase & profile type
2031	catch {unset prtyparray histarray phasearray}
2032	foreach hist $histlist {
2033	foreach phase $expmap(phaselist_$hist) {
2034	set prtyp [string trim [hapinfo $hist $phase proftype]]
2035	set key ${prtyp}_$phase
2036	lappend prtyparray($key) $hist
2037	lappend histarray($key) $hist
2038	lappend phasearray($key) $phase
2039	}
2040	}
2041
2042	set ptype ""
2043	set i -1
2044	# loop over all combined phases and profile types, sorted 1st by profile number
2045	foreach key [lsort [array names prtyparray]] {
2046	# split key
2047	scan $key %d_%d prftyp p
2048
2049	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
2050	set ptype $prftyp
2051	set curhistlist $histarray($key)
2052	set curphaslist $phasearray($key)
2053
2054	set hist1 [lindex $curhistlist 0]
2055	set phase1 [lindex $curphaslist 0]
2056	set nterms [hapinfo $hist1 $phase1 profterms]
2057	set htype [string range $expmap(htype_$hist1) 2 2]
2058	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
2059	# Create a frame for this type
2060	incr i
2061	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
2062	if {$expgui(haveBW)} {
2063	grid [TitleFrame $expgui(ProfileBox).f.$i \
2064	-text "(type $ptype)" \
2065	-relief groove -bd 2] \
2066	-column 0 -row $i -sticky ew
2067	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2068	grid [frame $ProfileFrame.0] \
2069	-column 0 -row 0 -columnspan 20 -sticky ew
2070	} else {
2071	grid [frame $expgui(ProfileBox).f.$i \
2072	-relief groove -bd 4] \
2073	-column 0 -row $i -sticky ew
2074	set ProfileFrame $expgui(ProfileBox).f.$i
2075	grid [frame $ProfileFrame.0] \
2076	-column 0 -row 0 -columnspan 20 -sticky ew
2077	grid [label $ProfileFrame.0.0 \
2078	-text "Profile Type $ptype "] -row 0 -column 0
2079	}
2080	grid [label $ProfileFrame.0.1 \
2081	-anchor w] -row 0 -column 1
2082	grid [frame $ProfileFrame.1] \
2083	-column 0 -row 1 -columnspan 20 -sticky ew
2084	grid [label $ProfileFrame.1.2 \
2085	-text "Damping"] -row 0 -column 2
2086	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2087	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2088	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2089	grid [button $ProfileFrame.1.edit \
2090	-text "Global Edit"] -row 0 -column 4 -sticky w
2091	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2092	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2093	-row 0 -column 5 -sticky w
2094	set col -1
2095	set row 2
2096	for { set num 1 } { $num <= $nterms } { incr num } {
2097	set term {}
2098	catch {set term [lindex $lbls $num]}
2099	if {$term == ""} {set term $num}
2100	incr col
2101	grid [label $ProfileFrame.l${num}_${i} \
2102	-text "$term"] -row $row -column $col
2103	incr col
2104	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2105	-variable entryvar(pref${num}_$i)] \
2106	-row $row -column $col
2107	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2108	if {$col > 10} {set col -1; incr row}
2109	}
2110	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2111	} else {
2112	# add to the current entry
2113	eval lappend curhistlist $histarray($key)
2114	eval lappend curphaslist $phasearray($key)
2115	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2116	}
2117	$ProfileFrame.0.1 config -text $boxtitle
2118	$ProfileFrame.1.edit config -command "\
2119	EditProfile \"\n$boxtitle\" \
2120	[list $curhistlist] \
2121	[list $curphaslist]"
2122	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2123	[list $curhistlist] [list $curphaslist]"
2124	set entrycmd(pdamp_$i) "hapinfo \
2125	[list $curhistlist] \
2126	[list $curphaslist] pdamp"
2127	for { set num 1 } { $num <= $nterms } { incr num } {
2128	set entrycmd(pref${num}_$i) "hapinfo \
2129	[list $curhistlist] \
2130	[list $curphaslist] pref$num"
2131	}
2132	}
2133	}
2134
2135	# resize the scroll window to match the actual
2136	update idletasks
2137	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2138	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2139	update idletasks
2140	ResizeNotebook
2141	# enable traces on entryvar now
2142	set entrycmd(trace) 1
2143	}
2144
2145	# process the bit settings in the print options
2146	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2147	proc printsetting {bitnum "action get" "value {}"} {
2148	global entryvar expgui
2149	if {$action == "get"} {
2150	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2151	} elseif $value {
2152	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2153	} else {
2154	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2155	}
2156	expinfo print set $newval
2157	set expgui(printopt) "Print Options ([expinfo print])"
2158	}
2159
2160	# need to respond to mouse presses -- control variable associated with extract Fobs
2161	# and set the LeBail extraction flags
2162	proc SetupExtractHist {} {
2163	global expgui entrycmd entryvar expmap
2164
2165	# display the selected histograms
2166	$expgui(lsFrame).hs.lbox selection clear 0 end
2167	foreach h $expgui(curhist) {
2168	$expgui(lsFrame).hs.lbox selection set $h
2169	}
2170
2171	# get histogram list
2172	set histlist {}
2173	foreach item $expgui(curhist) {
2174	set hist [lindex $expmap(powderlist) $item]
2175	if {$hist != ""} {lappend histlist $hist}
2176	}
2177	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2178	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2179	set entrycmd(LBdamp) ""
2180	foreach phase {1 2 3 4 5 6 7 8 9} {
2181	$expgui(FobsExtractFrame).l$phase config -fg grey
2182	set expgui(Fextract$phase) {}
2183	foreach item $expgui(ExtractSettingsRadiobuttons) {
2184	${item}$phase config -state disabled -bd 1
2185	}
2186	}
2187	} elseif {[llength $histlist] == 1} {
2188	# disable traces on entryvar
2189	set entrycmd(trace) 0
2190	set entryvar(fobsextract) [histinfo $histlist foextract]
2191	set entrycmd(LBdamp) "histinfo $histlist LBdamp"
2192	set entryvar(LBdamp) [histinfo $histlist LBdamp]
2193	foreach phase {1 2 3 4 5 6 7 8 9} {
2194	# is the phase present?
2195	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2196	$expgui(FobsExtractFrame).l$phase config -fg grey
2197	set expgui(Fextract$phase) {}
2198	foreach item $expgui(ExtractSettingsRadiobuttons) {
2199	${item}$phase config -state disabled -bd 1
2200	}
2201	} else {
2202	$expgui(FobsExtractFrame).l$phase config -fg black
2203	foreach item $expgui(ExtractSettingsRadiobuttons) {
2204	${item}$phase config -state normal -bd 2
2205	}
2206	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2207	}
2208	}
2209	} elseif {[llength $histlist] > 1} {
2210	# disable traces on entryvar
2211	set entrycmd(LBdamp) "histinfo [list $histlist] LBdamp"
2212	set entryvar(LBdamp) [histinfo [lindex $histlist 0] LBdamp]
2213	set entrycmd(trace) 0
2214	# multiple histograms need phases in any histogram
2215	foreach phase {1 2 3 4 5 6 7 8 9} {
2216	set gotphase($phase) 0
2217	}
2218	foreach hist $histlist {
2219	foreach phase $expmap(phaselist_$hist) {
2220	set gotphase($phase) 1
2221	}
2222	}
2223	foreach phase {1 2 3 4 5 6 7 8 9} {
2224	set expgui(Fextract$phase) {}
2225	if $gotphase($phase) {
2226	$expgui(FobsExtractFrame).l$phase config -fg black
2227	foreach item $expgui(ExtractSettingsRadiobuttons) {
2228	${item}$phase config -state normal -bd 2
2229	}
2230	} else {
2231	$expgui(FobsExtractFrame).l$phase config -fg grey
2232	foreach item $expgui(ExtractSettingsRadiobuttons) {
2233	${item}$phase config -state disabled -bd 1
2234	}
2235	}
2236	}
2237	}
2238	# reenable traces
2239	set entrycmd(trace) 1
2240	}
2241	# respond to a change in the fobs extraction method for a phase
2242	# force the main extraction flag on, if fobs extraction is selected for any phase
2243	proc HistExtractSet {phase} {
2244	global expgui entryvar expmap
2245	foreach item $expgui(curhist) {
2246	lappend histlist [lindex $expmap(powderlist) $item]
2247	}
2248	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2249	incr expgui(changed)
2250	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2251	}
2252	#---------------------------- Global Edit Functions ------------------------
2253	proc editbackground {} {
2254	global expgui expmap entrycmd
2255	set histlist {}
2256	foreach n $expgui(curhist) {
2257	lappend histlist [lindex $expmap(powderlist) $n]
2258	}
2259	if {[llength $histlist] == 0} return
2260
2261	set w .back
2262	catch {destroy $w}
2263	toplevel $w -bg beige
2264	if {$expgui(globalmode) != 0} {
2265	wm title $w "Global Edit Background"
2266	} else {
2267	wm title $w "Edit Background"
2268	}
2269
2270	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2271	] -side top -expand yes -fill both
2272	if {[llength $histlist] > 1} {
2273	grid [label $w.0.a \
2274	-text "Setting background terms for histograms [CompressList $histlist]" \
2275	-bg beige] -row 0 -column 0 -columnspan 10
2276	} else {
2277	grid [label $w.0.a \
2278	-text "Setting background terms for histogram $histlist" \
2279	-bg beige] -row 0 -column 0 -columnspan 4
2280	grid [button $w.0.bkg -text "Fit Background\nGraphically" \
2281	-command "QuitEditBackground $w; bkgedit $histlist"] \
2282	-row 0 -column 4 -rowspan 2
2283	grid columnconfig $w.0 0 -weight 1
2284	grid columnconfig $w.0 4 -weight 1
2285	}
2286	set hist [lindex $histlist 0]
2287	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0 -sticky e
2288
2289	# disable traces on expgui(backtype) & expgui(backterms) now
2290	set entrycmd(trace) 0
2291
2292	# number of terms
2293	set expgui(backtype) [histinfo $hist backtype]
2294	set expgui(orig_backtype) $expgui(backtype)
2295	set expgui(prev_backtype) $expgui(backtype)
2296	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2297	$typemenu delete 0 end
2298	foreach item {
2299	"1 - Shifted Chebyschev"
2300	"2 - Cosine Fourier series"
2301	"3 - Radial distribution peaks"
2302	"4 - Power series in Q**2n/n!"
2303	"5 - Power series in n!/Q**2n"
2304	"6 - Power series in Q2n/n! and n!/Q2n"
2305	"7 - Linear interpolation function"
2306	"8 - Reciprocal interpolation function"
2307	} {
2308	set val [lindex $item 0]
2309	$typemenu insert end radiobutton -variable expgui(backtype) \
2310	-label $item -value $val
2311	}
2312
2313	grid $w.0.type -row 1 -column 1
2314	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2315
2316	# function type
2317	set expgui(backterms) [histinfo $hist backterms]
2318	set expgui(orig_backterms) $expgui(backterms)
2319	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2320	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2321	grid $w.0.terms -row 1 -column 3
2322	# enable traces on expgui(backtype) & expgui(backterms) now
2323	set entrycmd(trace) 1
2324
2325	#set background terms
2326	for {set num 1 } { $num <= 36 } { incr num } {
2327	set var "bterm$num"
2328	set expgui($var) {}
2329	set expgui(orig_$var) {}
2330	}
2331	if {[llength $histlist] == 1} {
2332	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2333	set var "bterm$num"
2334	set expgui($var) [histinfo $histlist $var]
2335	set expgui(orig_$var) $expgui($var)
2336	}
2337	}
2338
2339	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2340	-expand yes -fill both
2341	ShowBackTerms $w.1
2342
2343	set expgui(temp) {}
2344	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2345	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2346	grid [button $w.b.3 -text Quit \
2347	-command "QuitEditBackground $w"] -row 0 -column 2
2348	grid [button $w.b.help -text Help -bg yellow \
2349	-command "MakeWWWHelp expgui3.html EditBackground"] \
2350	-row 0 -column 4
2351	grid columnconfig $w.b 0 -weight 1
2352	grid columnconfig $w.b 3 -weight 1
2353	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2354	bind $w <Return> "destroy $w"
2355
2356	# force the window to stay on top
2357	putontop $w
2358
2359	focus $w.b.2
2360	tkwait window $w
2361	afterputontop
2362
2363	if {$expgui(temp) != ""} return
2364
2365	if {$expgui(orig_backtype) != $expgui(backtype)} {
2366	histinfo $histlist backtype set $expgui(backtype)
2367	incr expgui(changed)
2368	}
2369	if {$expgui(orig_backterms) != $expgui(backterms)} {
2370	histinfo $histlist backterms set $expgui(backterms)
2371	incr expgui(changed)
2372	}
2373	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2374	set var "bterm$num"
2375	if {$expgui(orig_$var) != $expgui($var)} {
2376	histinfo $histlist $var set $expgui($var)
2377	incr expgui(changed)
2378	}
2379	}
2380
2381	if {$expgui(globalmode) == 0} {
2382	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2383	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2384	}
2385	}
2386
2387	trace variable expgui(backterms) w ChangeBackTerms
2388	proc ChangeBackTerms {a b c} {
2389	global entrycmd expgui
2390	if !$entrycmd(trace) return
2391	ShowBackTerms .back.1
2392	}
2393
2394	trace variable expgui(backtype) w ChangeBackType
2395	# reset the terms to 1, 0, 0... when the number of terms increase
2396	proc ChangeBackType {a b c} {
2397	global entrycmd expgui
2398	if !$entrycmd(trace) return
2399	if {$expgui(prev_backtype) == $expgui(backtype)} return
2400	set expgui(prev_backtype) $expgui(backtype)
2401	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2402	set var "bterm$num"
2403	if {$num == 1} {
2404	set expgui($var) 1.0
2405	} else {
2406	set expgui($var) 0.0
2407	}
2408	}
2409	}
2410
2411	proc ShowBackTerms {w } {
2412	global expgui expmap
2413	# destroy the contents of the frame
2414	eval destroy [winfo children $w]
2415	set histlist {}
2416	foreach n $expgui(curhist) {
2417	lappend histlist [lindex $expmap(powderlist) $n]
2418	}
2419	set widgetsPerRow 4
2420	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2421	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2422	set var "bterm$num"
2423	grid [label $w.l$num -text $num -bg beige] \
2424	-row $rows -column $cols -sticky nes
2425	incr cols
2426	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2427	] -row $rows -column $cols -sticky news
2428	incr cols
2429	}
2430	}
2431	}
2432
2433	proc QuitEditBackground {w} {
2434	global expgui
2435	# lets find out if anything changed
2436	set changed 0
2437	if {$expgui(orig_backtype) != $expgui(backtype)} {
2438	set changed 1
2439	}
2440	if {$expgui(orig_backterms) != $expgui(backterms)} {
2441	set changed 1
2442	}
2443	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2444	set var "bterm$num"
2445	if {$expgui(orig_$var) != $expgui($var)} {
2446	set changed 1
2447	break
2448	}
2449	}
2450	if $changed {
2451	set decision [tk_dialog .changes "Abandon Changes" \
2452	"You have made changes to the background. Ok to abandon changes?" \
2453	warning 0 Abandon Keep]
2454	if !$decision {
2455	set expgui(temp) "Quit"
2456	destroy $w
2457	}
2458	} else {
2459	set expgui(temp) "Quit"
2460	destroy $w
2461	}
2462	}
2463
2464	# this probably needs work
2465	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2466	global expgui expmap
2467	set w .global
2468	catch {destroy $w}
2469	toplevel $w -bg beige
2470	wm title $w "Edit Global Parameter"
2471	set expgui(temp) {}
2472	if {[llength $histlist] == 0} {
2473	set hist {}
2474	foreach n $expgui(curhist) {
2475	lappend hist [lindex $expmap(powderlist) $n]
2476	}
2477	} else {
2478	set hist $histlist
2479	}
2480	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2481	-side top -expand yes -fill both
2482	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2483	-bg beige] \
2484	-row 0 -column 0 -columnspan 10
2485	grid [entry $w.0.b -textvariable expgui(temp)] \
2486	-row 1 -column 0
2487
2488
2489	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2490	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2491	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2492	pack [button $w.b.help -text Help -bg yellow \
2493	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2494	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2495	bind $w <Return> "destroy $w"
2496
2497	# force the window to stay on top
2498	putontop $w
2499	focus $w.b.2
2500	tkwait window $w
2501	afterputontop
2502
2503	if {$expgui(temp) != ""} {
2504	foreach h $hist {
2505	if {$cmd == "histinfo"} {
2506	histinfo $h $variable set $expgui(temp)
2507	incr expgui(changed)
2508	if $expgui(debug) {
2509	puts "histinfo $h $variable set $expgui(temp)"
2510	}
2511	} elseif {$cmd == "hapinfo"} {
2512	hapinfo $h $phase $variable set $expgui(temp)
2513	incr expgui(changed)
2514	if $expgui(debug) {
2515	puts "hapinfo $phase $h $variable set $expgui(temp)"
2516	}
2517	} else {
2518	error "$cmd unimplemented"
2519	}
2520	}
2521	}
2522	}
2523
2524	proc EditProfile {title histlist phaselist} {
2525	global expgui expmap entrycmd
2526	set w .back
2527	catch {destroy $w}
2528	toplevel $w -bg beige
2529	wm title $w "Global Edit Profile"
2530	set hist [lindex $histlist 0]
2531	set phase [lindex $phaselist 0]
2532	set ptype [string trim [hapinfo $hist $phase proftype]]
2533	set htype [string range $expmap(htype_$hist) 2 2]
2534	set nterms [hapinfo $hist $phase profterms]
2535
2536	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2537	] -side top -expand yes -fill both
2538	grid [label $w.0.a \
2539	-text "Setting profile terms: $title" \
2540	-bg beige] -row 0 -column 0 -columnspan 10
2541	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2542	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2543	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2544	set entrylist {}
2545	lappend entrylist "pcut $w.0.d"
2546
2547	set col -1
2548	set row 1
2549	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2550	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2551	] -side top -expand yes -fill both
2552	for { set num 1 } { $num <= $nterms } { incr num } {
2553	set term {}
2554	catch {set term [lindex $lbls $num]}
2555	if {$term == ""} {set term $num}
2556	incr col
2557	grid [label $w.1.l${num} -text "$term" -bg beige] \
2558	-row $row -column $col
2559	incr col
2560	grid [entry $w.1.ent${num} \
2561	-width 14] -row $row -column $col
2562	lappend entrylist "pterm$num $w.1.ent${num}"
2563	if {$col > 6} {set col -1; incr row}
2564	}
2565	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2566	grid [button $w.b.2 -text Set \
2567	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2568	[list $histlist] $w"] -row 0 -column 1
2569	grid [button $w.b.3 -text Quit \
2570	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2571	grid [button $w.b.help -text Help -bg yellow \
2572	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2573	-row 0 -column 4
2574	grid columnconfig $w.b 0 -weight 1
2575	grid columnconfig $w.b 3 -weight 1
2576	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2577	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2578
2579	# force the window to stay on top
2580	putontop $w
2581	focus $w.b.2
2582	tkwait window $w
2583	afterputontop
2584	}
2585
2586	proc SetEditProfile {entrylist phaselist histlist w} {
2587	global expgui
2588	foreach item $entrylist {
2589	set value [ [lindex $item 1] get ]
2590	if {$value != ""} {
2591	hapinfo $histlist $phaselist [lindex $item 0] set $value
2592	incr expgui(changed)
2593	if $expgui(debug) {
2594	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2595	}
2596	}
2597	}
2598	destroy $w
2599	}
2600
2601	proc QuitEditProfile {w entrylist} {
2602	global expgui
2603	# lets find out if anything changed
2604	set changed 0
2605	foreach item $entrylist {
2606	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2607	}
2608	if $changed {
2609	set decision [tk_dialog .changes "Abandon Changes" \
2610	"You have made changes to the Profile. Ok to abandon changes?" \
2611	warning 0 Abandon Keep]
2612	if !$decision {destroy $w}
2613	} else {
2614	destroy $w
2615	}
2616	}
2617
2618	##############################################################################
2619	## #############################################
2620	## END OF THE PROCEDURES SECTION #############################################
2621	## #############################################
2622	##############################################################################
2623
2624	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2625	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2626	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2627	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2628	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2629	# A frame for menu items at top of display
2630	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2631	# Pack the menu frame.
2632	pack $expgui(fm) -fill x -side top -anchor n
2633
2634	# create a button bar
2635	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2636
2637	# Creating the notebook and panes
2638
2639	# create an array element describing each notebook page (used with BW only)
2640	# element 0 -- pane name
2641	# 1 -- Label on frame
2642	# 2 -- initialization command
2643	# 3 -- update command
2644	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2645	# are selected in global mode, 0 otherwise
2646	# 5 -- Web page for pane
2647	# 6 -- name anchor on Web page for pane
2648	set expgui(notebookpagelist) {
2649	{lsFrame "LS Controls" \
2650	"" \
2651	SetupExtractHist \
2652	0 expgui1.html ""}
2653	{phaseFrame Phase \
2654	"" \
2655	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2656	0 expgui2.html ""}
2657	{histFrame Histogram \
2658	MakeHistPane \
2659	DisplayHistogram \
2660	1 expgui3.html ""}
2661	{fracFrame Scaling \
2662	MakeScalingPane \
2663	DisplayFrac \
2664	0 expgui4.html ""}
2665	{profFrame Profile \
2666	MakeProfilePane \
2667	DisplayProfile \
2668	1 expgui5.html ""}
2669	{consFrame Constraints \
2670	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2671	DisplayConstraintsPane \
2672	0 expgui6.html ""}
2673	{orientFrame "MD Pref Orient" \
2674	MakeOrientPane \
2675	DisplayOrient \
2676	0 expgui7.html MD}
2677	{odfFrame "SH Pref Orient" \
2678	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2679	DisplayODFPane \
2680	0 expgui7.html ODF}
2681	}
2682
2683	if $expgui(haveBW) {
2684	pack [NoteBook .n -bd 2] -expand yes -fill both
2685	# this should not be needed, but for some reason NoteBook is not
2686	# using the optionDB
2687	catch {.n configure -font [option get .n font Canvas]}
2688	foreach item $expgui(notebookpagelist) {
2689	set frm [lindex $item 0]
2690	set expgui($frm) [\
2691	.n insert end $frm -text [lindex $item 1] \
2692	-createcmd [lindex $item 2] \
2693	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2694
2695	# at this time expgui(frameactionlist) is generated
2696	# from expgui(notebookpagelist), but in the future it might
2697	# make sense to use expgui(notebookpagelist) directly
2698	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2699
2700	# panes to disable in global "all" mode
2701	if {[lindex $item 4]} {
2702	lappend expgui(GlobalModeAllDisable) \
2703	"$frm \{.n itemconfigure $frm\}"
2704	}
2705	}
2706	} else {
2707	Notebook:create .n \
2708	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2709	pack .n -anchor w -fill both -expand yes
2710	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2711	orientFrame} \
2712	page {"LS Controls" Phase Histogram Scaling Profile \
2713	"MD Pref Orient"} {
2714	set expgui($item) [Notebook:frame .n $item]
2715	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2716	}
2717	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2718	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2719	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2720	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2721	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2722	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2723	set expgui(GlobalModeAllDisable) {}
2724	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2725	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2726	}
2727
2728	# this is used to bring up the selected frame
2729	proc RaisePage {nextpage} {
2730	global expgui
2731	if $expgui(haveBW) {
2732	.n see $nextpage
2733	.n raise $nextpage
2734	set expgui(pagenow) $nextpage
2735	} else {
2736	Notebook:raise .n $nextpage
2737	InitPage $nextpage
2738	}
2739	}
2740	# this is only called when BWidget is not in use
2741	proc InitPage {nextpage} {
2742	global expgui
2743	set expgui(pagenow) $nextpage
2744	UpdateCurrentPage
2745	}
2746	# resize the notebook to fit all the tabs and the largest page
2747	proc ResizeNotebook {} {
2748	global expgui
2749	if {$expgui(haveBW)} {
2750	.n compute_size
2751	} else {
2752	Notebook:resize .n
2753	}
2754	}
2755
2756	#----------------------------------------------------------------------------
2757	proc MakePhasePane {} {
2758	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2759	global expgui entryvar entrybox entrycmd
2760	frame $expgui(phaseFrame).top
2761	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2762	# This is a big frame in the Phase notebook pane to hold atomic data.
2763	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2764	-relief raised -borderwidth 4 -class Coord]
2765	# This is a frame just below the big frame: for edits
2766	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2767	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2768
2769	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2770	grid $frameLatt -sticky news -row 2 -column 0
2771	grid $fbig -sticky news -row 3 -column 0
2772	# give extra space to the atoms box
2773	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2774	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2775	grid $frame3 -sticky news -row 4 -column 0
2776	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2777	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2778	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2779	# this is where the buttons will go
2780	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2781
2782	grid [label $expgui(phaseFrame).top.lA -text title: \
2783	-fg blue ] -column 1 -row 0 -sticky e
2784	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2785	-fg blue -width 45] -column 2 -row 0 -sticky e
2786	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2787	# ------------- Lattice Parameter Box ------------------
2788	set row 0
2789	foreach col {2 4 6} var {a b c} lbl {a b c} {
2790	grid [label $frameLatt.l$var -text $lbl] \
2791	-column $col -row $row -padx 5 -sticky e
2792	incr col
2793	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2794	-column $col -row $row -padx 5
2795	set entrybox($var) $frameLatt.e$var
2796	}
2797	incr row
2798	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2799	grid [label $frameLatt.l$var -text $lbl] \
2800	-column $col -row $row -padx 5 -sticky e
2801	set font [$frameLatt.l$var cget -font]
2802	$frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
2803
2804	incr col
2805	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2806	-column $col -row $row -padx 5
2807	set entrybox($var) $frameLatt.e$var
2808	}
2809
2810	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2811	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2812	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2813	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2814	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2815	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2816	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2817	-column 1 -row 0 -rowspan 2
2818	if [file executable $expgui(exptool)] {
2819	grid [button $expgui(phaseFrame).frameLatt.newp \
2820	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
2821	] -column 0 -row 0 -rowspan 2 -sticky w
2822	}
2823	grid columnconfig $frameLatt 1 -weight 1
2824	grid columnconfig $frameLatt 0 -weight 1
2825	#-------------- Begin Atom Coordinates Box ------------------------------
2826	grid [listbox $fbig.title -height 1 -relief flat \
2827	-exportselection 0 -bg lightgrey -fg black \
2828	-selectforeground black -selectbackground lightgrey] \
2829	-row 0 -column 0 -sticky ew
2830	set expgui(atomtitle) $fbig.title
2831	bind $expgui(atomtitle) <Button-1> {
2832	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2833	incr i
2834	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2835	DisplayAllAtoms
2836	}
2837	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2838
2839	$expgui(atomtitle) configure -selectmode extended
2840	grid [listbox $fbig.lbox -height 10 \
2841	-exportselection 0 \
2842	-xscrollcommand " $fbig.bscr set"\
2843	-yscrollcommand " $fbig.rscr set"\
2844	] -row 1 -column 0 -sticky news
2845	set expgui(atomlistbox) $fbig.lbox
2846	$expgui(atomlistbox) configure -selectmode extended
2847	grid [scrollbar $fbig.bscr -orient horizontal \
2848	-command "move2boxesX \" $fbig.title $fbig.lbox \" " \
2849	] -row 2 -column 0 -sticky ew
2850	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2851	] -row 1 -column 1 -sticky ns
2852	# give extra space to the atoms box
2853	grid columnconfigure $fbig 0 -weight 1
2854	grid rowconfigure $fbig 1 -weight 1
2855
2856	# BIND mouse in editbox
2857	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2858	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2859
2860	#-------------- End Atoms Section ---------------------------------
2861
2862	# --------------------------- Begin Edit Box ------------------------
2863	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2864	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2865	if [file executable $expgui(exptool)] {
2866	button $frame3.newa -text "Add New Atoms" \
2867	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2868	-command {MakeAddAtomsBox $expgui(curPhase)}
2869	grid $frame3.newa -column 11 -row 0
2870	}
2871	button [set expgui(atomxform) $frame3.xa] \
2872	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2873	-command {MakeXformAtomsBox $expgui(curPhase)}
2874	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2875
2876	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2877	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2878	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2879	grid [checkbutton $frame3.cf$col \
2880	-text $lbl -variable entryvar($var) \
2881	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2882	-activebackground $expgui(bkgcolor1)] \
2883	-column $col -row 1 -padx 4 -pady 3 -sticky w
2884	}
2885	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
2886	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2887
2888	set col 4
2889	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2890	grid [label $frame3.lom$num -text $lbl \
2891	-bg $expgui(bkgcolor1)] \
2892	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2893	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2894	$frame3.om$num config -highlightthickness 0
2895	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2896	}
2897	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2898	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2899
2900	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2901	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2902
2903	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2904	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2905	set expgui(atomlabels) $f3l1
2906
2907	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2908	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2909	set expgui(atomentry) $f3e1
2910
2911	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2912	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2913	lappend expgui(atomlabels) $f3l8
2914	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2915	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2916	lappend expgui(atomlabels) $f3l11
2917
2918	foreach var {x y z frac} col {3 4 5 7} {
2919	set entrybox($var) [entry $frame3.coords.e$var \
2920	-textvariable entryvar($var) -width 10]
2921	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2922	lappend expgui(atomentry) $entrybox($var)
2923	}
2924
2925
2926	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2927	grid $f3f31 -column 0 -row 7 -columnspan 12
2928	set expgui(anisolabels) {}
2929	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2930	lappend expgui(anisolabels) [\
2931	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2932	]
2933	}
2934	set expgui(anisoentry) {}
2935	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2936	lappend expgui(anisoentry) [\
2937	entry $f3f31.$i -textvariable entryvar($var) \
2938	-width 10]
2939	set entrybox($var) $f3f31.$i
2940	}
2941
2942	set col 0
2943	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2944	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2945	incr col
2946	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2947	incr col
2948	}
2949	# --------------------------- End Edit Box -------------------------
2950
2951	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2952	# resize in case the pane needs more space
2953	ResizeNotebook
2954	}
2955
2956	#-----------------------------------------------------------------------------
2957	proc MakeHistPane {} {
2958	#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
2959	global expgui
2960
2961	grid columnconfigure $expgui(histFrame) 0 -weight 1
2962	grid rowconfigure $expgui(histFrame) 1 -weight 1
2963	grid rowconfigure $expgui(histFrame) 2 -weight 1
2964	grid rowconfigure $expgui(histFrame) 3 -weight 1
2965
2966	grid [frame $expgui(histFrame).hs -class HistList] \
2967	-column 0 -row 0 -rowspan 10 -sticky nsew
2968	MakeHistBox $expgui(histFrame).hs
2969	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2970	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2971	DisplayHistogram
2972	}
2973	bind $expgui(histFrame).hs.lbox <Button-3> {
2974	if $expgui(globalmode) {
2975	$expgui(histFrame).hs.lbox selection set 0 end
2976	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2977	DisplayHistogram
2978	}
2979	}
2980
2981	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2982	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2983	if $expgui(haveBW) {
2984	foreach item {backBox diffBox} num {2 3} \
2985	title {Background "Diffractometer Constants"} {
2986	TitleFrame $expgui(histFrame).$item \
2987	-borderwidth 4 -side left -relief groove -text $title
2988	set expgui($item) [$expgui(histFrame).$item getframe]
2989	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2990	grid rowconfigure $expgui(histFrame) $num -minsize 100
2991	}
2992	} else {
2993	foreach item {backBox diffBox} num {1 2} \
2994	title {Background "Diffractometer Constants"} {
2995	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2996	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2997	set expgui($item) $expgui(histFrame).$item
2998	grid [label $expgui(histFrame).$item.title -text $title] \
2999	-row 0 -column 0 -columnspan 10 -sticky nw
3000	}
3001	}
3002	grid [frame $expgui(histFrame).bb] -column 1 -row 6
3003	if [file executable $expgui(exptool)] {
3004	button $expgui(histFrame).bb.newh -text "Add New\nHistogram" \
3005	-command MakeAddHistBox
3006	grid $expgui(histFrame).bb.newh -column 0 -row 1
3007	}
3008	if [file exists [file join $expgui(scriptdir) excledt]] {
3009	button $expgui(histFrame).bb.excl \
3010	-text "Set Data Limits &\nExcluded Regions" -command excledit
3011	grid $expgui(histFrame).bb.excl -column 1 -row 1
3012	}
3013	button $expgui(histFrame).bb.use -text "Set Histogram\nUse Flags" \
3014	-command SetHistUseFlags
3015	grid $expgui(histFrame).bb.use -column 2 -row 1
3016
3017	# BACKGROUND information.
3018	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
3019	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
3020	grid [label $expgui(backBox).frm1.lBGType \
3021	-textvariable expgui(backtypelbl)] \
3022	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3023	grid [label $expgui(backBox).frm1.lBGTerms \
3024	-textvariable expgui(backtermlbl)] \
3025	-row 1 -column 1 -sticky nws -padx 2 -pady 3
3026	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
3027	-command editbackground] \
3028	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
3029	grid [frame $expgui(backBox).frm2 ] \
3030	-row 1 -column 0 -columnspan 11 -sticky e
3031	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
3032	-row 2 -column 1 -sticky news -padx 4 -pady 3
3033	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
3034	-variable entryvar(bref) ] \
3035	-row 2 -column 2 -sticky news -padx 4 -pady 3
3036	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
3037	-row 2 -column 3 -sticky w -padx 2 -pady 3
3038	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
3039	grid $expgui(backBox).frm2.om \
3040	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
3041	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3042	# insert the histograms & resize in case the pane needs more space
3043	sethistlist
3044	ResizeNotebook
3045	}
3046	###############################################################################
3047	proc MakeScalingPane {} {
3048	#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
3049	global expgui entryvar entrybox
3050
3051	pack [frame $expgui(fracFrame).hs -class HistList] \
3052	-side left -expand y -fill both
3053	MakeHistBox $expgui(fracFrame).hs
3054	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
3055	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3056	DisplayFrac
3057	}
3058	bind $expgui(fracFrame).hs.lbox <Button-3> {
3059	if $expgui(globalmode) {
3060	$expgui(fracFrame).hs.lbox selection set 0 end
3061	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3062	DisplayFrac
3063	}
3064	}
3065
3066	pack [frame $expgui(fracFrame).f1] -fill both -expand true
3067	# Create a large canvas area containing a frame for each phase in the data set.
3068	# The canvas and vertical scrollbar are inside a frame called f1
3069	if $expgui(haveBW) {
3070	TitleFrame $expgui(fracFrame).f1.scaleBox \
3071	-borderwidth 4 -text "Scale Factor"
3072	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
3073	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3074	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
3075	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
3076	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3077	} else {
3078	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
3079	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3080	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
3081	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
3082	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3083	}
3084	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
3085	-row 1 -column 1 -sticky ew -padx 4 -pady 3
3086	set entrybox(scale) $expgui(scaleBox).ent1
3087
3088	button $expgui(scaleBox).but1 -text "Set Globally" \
3089	-command "editglobalparm histinfo scale {Scale Factor}"
3090
3091	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
3092	-row 1 -column 2 -sticky nws -padx 2 -pady 3
3093	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
3094	-row 1 -column 3 -sticky news -padx 4 -pady 3
3095	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3096	-row 1 -column 4 -sticky w -padx 2 -pady 3
3097	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3098	grid $expgui(scaleBox).om \
3099	-row 1 -column 5 -sticky news -padx 4 -pady 3
3100	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3101
3102	if $expgui(haveBW) {
3103	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3104	-text "Phase Fractions" -relief groove] \
3105	-sticky news -row 1 -column 0 -columnspan 2
3106	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3107	} else {
3108	set PhaseFractBox $expgui(fracFrame).f1
3109	}
3110	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3111	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3112
3113	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3114	-scrollregion {0 0 5000 500} \
3115	-yscrollcommand "$PhaseFractBox.yscroll set" \
3116	-width 500 -height 350 -bg lightgrey]] \
3117	-sticky news -row 1 -column 0
3118	grid [scrollbar $PhaseFractBox.yscroll \
3119	-command "$expgui(FracBox) yview" \
3120	-orient vertical] \
3121	-sticky ns -row 1 -column 1
3122	frame $expgui(FracBox).f -bd 0
3123	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3124
3125	# the rest of the page is created in DisplayFrac
3126
3127	# insert the histograms & resize in case the pane needs more space
3128	sethistlist
3129	ResizeNotebook
3130	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3131	}
3132	###############################################################################
3133	proc MakeProfilePane {} {
3134	global expgui
3135	# 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
3136	pack [frame $expgui(profFrame).hs -class HistList] \
3137	-side left -expand y -fill both
3138	MakeHistBox $expgui(profFrame).hs
3139	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3140	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3141	DisplayProfile
3142	}
3143	bind $expgui(profFrame).hs.lbox <Button-3> {
3144	if $expgui(globalmode) {
3145	$expgui(profFrame).hs.lbox selection set 0 end
3146	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3147	DisplayProfile
3148	}
3149	}
3150
3151	# Create a large canvas area containing a frame for each phase in the data set.
3152	# The canvas and vertical scrollbar are inside a frame called f1
3153	pack [frame $expgui(profFrame).f1] -fill both -expand true
3154	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3155	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3156	-sticky news -row 0 -column 0
3157	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3158	-sticky ns -row 0 -column 1
3159
3160	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3161	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3162
3163	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3164	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3165	frame $expgui(ProfileBox).f -bd 0
3166	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3167
3168	# insert the histograms & resize in case the pane needs more space
3169	sethistlist
3170	ResizeNotebook
3171	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3172	}
3173
3174	##############################################################################
3175	# 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
3176	array set printopts {
3177	0 "Print the reciprocal metric tensor changes"
3178	1 "Print the correlation matrix"
3179	2 "Print the Least-Squares matrices and vectors"
3180	4 "Print the linear constraint matrices"
3181	5 "Print the applied shifts and shift factors"
3182	6 "Print the reciprocal metric tensor Var-Covar terms"
3183	7 "Print all parameters for each cycle"
3184	8 "Print summary shift/esd data after last cycle"
3185	9 "Print zero/unit pole figure constraint terms"
3186	}
3187	pack [frame $expgui(lsFrame).hs -class HistList] \
3188	-side left -expand y -fill both
3189	MakeHistBox $expgui(lsFrame).hs
3190	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3191	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3192	SetupExtractHist
3193	}
3194	bind $expgui(lsFrame).hs.lbox <Button-3> {
3195	if $expgui(globalmode) {
3196	$expgui(lsFrame).hs.lbox selection set 0 end
3197	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3198	SetupExtractHist
3199	}
3200	}
3201
3202	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3203	set row 0
3204	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3205	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3206	-textvariable expgui(last_History)] \
3207	-row $row -column 1 -columnspan 5 -sticky w
3208	incr row
3209	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3210	grid [entry $expgui(lsFrame).f1.tit2 \
3211	-textvariable entryvar(title) -width 48] \
3212	-row $row -column 1 -columnspan 5 -sticky w
3213	set entrycmd(title) "expinfo title"
3214
3215	incr row
3216	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3217	incr row
3218	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3219	-row $row -column 0 -columnspan 2 -pady 3 -sticky s
3220	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3221	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3222	-textvariable entryvar(cycles)] -row 0 -column 1
3223	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3224
3225	grid [frame $expgui(lsFrame).f1.cv -bd 4 -relief groove] \
3226	-row $row -column 2 -sticky ew
3227	grid [label $expgui(lsFrame).f1.cv.l -text "Convgerence Criterion"] \
3228	-row 0 -column 0 -columnspan 2
3229	grid [label $expgui(lsFrame).f1.cv.v -textvariable expgui(convlbl)] -row 1 -column 0
3230	grid [scale $expgui(lsFrame).f1.cv.s -orient horizontal \
3231	-from -200 -to 200 -showvalue 0 -command SetConv -resolution 10 \
3232	-variable expgui(convg)] -row 1 -column 1
3233
3234	incr row
3235	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3236	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3237	] -row $row -column 0 -columnspan 2
3238	menu $expgui(lsFrame).f1.lprint.menu
3239	foreach num [lsort [array names printopts]] {
3240	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3241	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3242	-variable entryvar(printopt$num)
3243	}
3244
3245	grid [frame $expgui(lsFrame).f1.marq -bd 4 -relief groove] \
3246	-row $row -column 2 -sticky ew
3247	grid [label $expgui(lsFrame).f1.marq.l -text "Marquardt Damping"] \
3248	-row 0 -column 0 -columnspan 2
3249	grid [label $expgui(lsFrame).f1.marq.v -textvariable expgui(marq)] \
3250	-row 1 -column 0
3251	grid [scale $expgui(lsFrame).f1.marq.s -orient horizontal \
3252	-from 1.0 -to 9.99 -showvalue 0 -command SetMarq -resolution 0.01 \
3253	-variable expgui(marq)] -row 1 -column 1
3254
3255	incr row
3256	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3257
3258	incr row
3259	if {$expgui(haveBW)} {
3260	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3261	-text "Reflection Intensity Extraction" \
3262	] -row $row -column 0 -columnspan 6
3263	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3264	} else {
3265	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3266	] -row $row -column 0 -columnspan 6
3267	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3268	}
3269
3270	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3271	-row 0 -column 8 -columnspan 3 -sticky ens
3272	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3273	-row 0 -column 2
3274	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3275	-variable entryvar(fobsextract)] -row 0 -column 3
3276
3277	grid [frame $expgui(FobsExtractFrame).d -bd 4 -relief groove] \
3278	-row 0 -column 3 -columnspan 5 -sticky ens
3279	grid [label $expgui(FobsExtractFrame).d.fol -text "LeBail damping"] \
3280	-row 0 -column 2
3281	tk_optionMenu $expgui(FobsExtractFrame).d.d entryvar(LBdamp) \
3282	0 1 2 3 4 5 6 7 8 9
3283	grid $expgui(FobsExtractFrame).d.d -row 0 -column 3
3284	incr row
3285	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3286
3287
3288
3289	foreach num {1 2 3 4 5 6 7 8 9} {
3290	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3291	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3292	-command "HistExtractSet $num" \
3293	-variable expgui(Fextract$num) -value 0] \
3294	-row 2 -column $num
3295	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3296	-command "HistExtractSet $num" \
3297	-variable expgui(Fextract$num) -value 1] \
3298	-row 3 -column $num
3299	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3300	-command "HistExtractSet $num" \
3301	-variable expgui(Fextract$num) -value 2] \
3302	-row 4 -column $num
3303	}
3304	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3305	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3306	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3307
3308	grid [label $expgui(FobsExtractFrame).t \
3309	-text "Extraction\nMethod" -anchor c] \
3310	-column 0 -row 0 -sticky n
3311	grid [label $expgui(FobsExtractFrame).t0 -text "(Phase #)" -anchor c] \
3312	-column 10 -row 1 -sticky w
3313	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3314	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3315	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3316	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3317	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3318
3319	proc InitLSvars {} {
3320	global expgui
3321	set expgui(convg) [set expgui(convinit) [expinfo convg]]
3322	set expgui(convlbl) [format %5.2f [expr pow(10,$expgui(convg)/100.)]]
3323	set expgui(marq) [set expgui(marqinit) [expinfo marq]]
3324	}
3325	proc SetConv {x} {
3326	global expgui
3327	if {$x != $expgui(convinit) && $expgui(changed) <= 0} {
3328	incr expgui(changed)
3329	}
3330	if {$expgui(changed)} {expinfo convg set $x}
3331	set expgui(convlbl) [format %5.2f [expr {pow(10,$x/100.)}]]
3332	}
3333	proc SetMarq {x} {
3334	global expgui
3335	if {$x != $expgui(marqinit) && $expgui(changed) <= 0} {
3336	incr expgui(changed)
3337	}
3338	if {$expgui(changed)} {expinfo marq set $x}
3339	}
3340	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3341	#-------------------------------------------------------------------------
3342	#-------------------------------------------------------------------------
3343	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3344
3345	#---- file menu button
3346	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3347	menu $expgui(fm).file.menu
3348	if $expgui(debug) {
3349	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3350	}
3351	if {$expgui(shell)} {
3352	$expgui(fm).file.menu add command -label "Open" -command readnewexp
3353	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3354	}
3355	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3356	-command savearchiveexp
3357	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3358	$expgui(fm).file.menu add command -label "Save As" \
3359	-command "SaveAsFile"
3360	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3361	-command {rereadexp $expgui(expfile)}
3362
3363	#---- help menu button
3364	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3365	menu $expgui(fm).help.menu
3366	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3367	-label "Help Summary"
3368	$expgui(fm).help.menu add command -command MakeWWWHelp \
3369	-label "Help on current pane"
3370	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
3371	-label "Help on menu"
3372	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3373	# define help actions
3374	bind . <Key-F1> MakeWWWHelp
3375	$expgui(fm).help.menu add command -label "About..." -command About
3376	$expgui(fm).help.menu add command -label "Cite..." -command Cite
3377
3378	#---- options menu button
3379	menubutton $expgui(fm).option -text Options \
3380	-menu $expgui(fm).option.menu
3381	menu $expgui(fm).option.menu
3382
3383	if {$expgui(shell)} {
3384	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3385	-variable expgui(archive)
3386	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3387	-variable expgui(disaglSeparateBox)
3388	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3389	-variable expgui(autoexpload)
3390	$expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \
3391	-variable expgui(autoiconify)
3392	}
3393	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3394	-label "Sort atoms by"
3395
3396	set expgui(asorttype) number
3397	menu $expgui(fm).option.menu.asort
3398	foreach opt {number type mult x y z occupancy} {
3399	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3400	-label $opt -value $opt -variable expgui(asorttype)
3401	}
3402
3403	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3404	-label "Sort histograms by"
3405
3406	set expgui(hsorttype) number
3407	menu $expgui(fm).option.menu.hsort
3408	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3409	-label number -value number -variable expgui(hsorttype)
3410	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3411	-label "Histogram type" -value type -variable expgui(hsorttype)
3412	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3413	-label "Bank #" -value bank -variable expgui(hsorttype)
3414	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3415	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3416
3417	#---- Global mode menu button
3418	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3419	-label "Multiple hist. selection"
3420	menu $expgui(fm).option.menu.editmode
3421	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3422	-variable expgui(globalmode) -value 0 \
3423	-command sethistlist
3424	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3425	-variable expgui(globalmode) -value 6 \
3426	-command sethistlist
3427	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3428	-variable expgui(globalmode) -value 1 \
3429	-command sethistlist
3430	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3431	-variable expgui(globalmode) -value 2 \
3432	-command sethistlist
3433	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3434	-variable expgui(globalmode) -value 3 \
3435	-command sethistlist
3436	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3437	-variable expgui(globalmode) -value 4 \
3438	-command sethistlist
3439	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3440	-variable expgui(globalmode) -value 5 \
3441	-command sethistlist
3442	$expgui(fm).option.menu.editmode add separator
3443	$expgui(fm).option.menu.editmode add checkbutton \
3444	-label "Group phases together" \
3445	-variable expgui(globalphasemode) \
3446	-command sethistlist
3447
3448	set expgui(globalmode) 0
3449	set expgui(globalphasemode) 1
3450
3451	if {$tcl_platform(platform) == "unix"} {
3452	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3453	-variable env(GSASBACKSPACE)
3454	}
3455
3456	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.font \
3457	-label "Screen font"
3458	menu $expgui(fm).option.menu.font
3459	foreach f {10 11 12 13 14 16 18 20 22} {
3460	$expgui(fm).option.menu.font add radiobutton \
3461	-command {SetTkDefaultOptions $expgui(font); ResizeFont .; ResizeNotebook} \
3462	-label $f -value $f -variable expgui(font) -font "Helvetica -$f"
3463	}
3464
3465	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
3466	-variable expgui(showexptool)
3467	$expgui(fm).option.menu add command -label "Save Options" \
3468	-command "SaveOptions"
3469
3470	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3471
3472	if {$expgui(shell)} {
3473	foreach menu $expgui(menunames) {
3474	set m [string tolower $menu]
3475	pack [menubutton $expgui(fm).$m -text $menu \
3476	-menu $expgui(fm).$m.menu] -side left
3477	menu $expgui(fm).$m.menu
3478	}
3479	}
3480	pack $expgui(fm).help -side right -in $expgui(fm)
3481
3482	if {$expgui(shell)} {
3483	# add the commands in expgui_menulist
3484	foreach menu [array names expgui_menulist ] {
3485	foreach cmd $expgui_menulist($menu) {
3486	set action {}
3487	set opt {}
3488	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3489	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3490	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3491	if {$action != "" && $action != "-"} {
3492	eval $expgui(fm).$menu.menu add command \
3493	-label $cmd $opt -command [list [subst $action]]
3494	if {[lindex $opt 0] == "-underline"} {
3495	catch {
3496	set num [lindex $opt 1]
3497	set key [string range $cmd $num $num]
3498	bind . <Alt-[string tolower $key]> [subst $action]
3499	bind . <Alt-[string toupper $key]> [subst $action]
3500	}
3501	}
3502	}
3503	}
3504	}
3505	}
3506	# setup command help
3507	foreach cmd [array names expgui_cmdlist] {
3508	set help {}
3509	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3510	if {$help == ""} {
3511	if {$expgui(debug)} {puts "no help for $cmd"}
3512	} else {
3513	# remove
3514	regsub -all \x09 $help " " help
3515	# preserve blank lines
3516	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3517	regsub -all \x0A $help " " help
3518	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3519	regsub -all " +" $help " " help
3520	set expgui_helplist($cmd) [string trim $help]
3521	}
3522	}
3523	if {$expgui(shell)} {
3524	# set up button bar
3525	foreach cmd $expgui(buttonlist) {
3526	set action {}
3527	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3528	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3529	if {$action != ""} {
3530	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3531	-text $cmd -command [list [subst $action]]] -side left
3532	}
3533	}
3534	}
3535
3536	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3537	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3538	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3539
3540	# make the phase pane
3541	MakePhasePane
3542	# and the rest of the windows w/o BWidget
3543	if !$expgui(haveBW) {
3544	MakeHistPane
3545	MakeScalingPane
3546	MakeProfilePane
3547	}
3548
3549	# handle indirect exits
3550	wm protocol . WM_DELETE_WINDOW catchQuit
3551	bind . <Control-c> catchQuit
3552
3553	set expgui(curPhase) ""
3554	set expgui(pagenow) ""
3555	set expgui(curhist) {}
3556	set expgui(selectedatomlist) {}
3557
3558	loadexp $expgui(expfile)
3559
3560	# select the 1st phase
3561	SelectOnePhase [lindex $expmap(phaselist) 0]
3562	# select the first histogram in the list by default (if there are any)
3563	if {[llength $expmap(histlistboxcontents)] > 0} {
3564	set expgui(curhist) 0
3565	} else {
3566	set expgui(curhist) {}
3567	}
3568
3569	# execute any local commands for final initialization
3570	eval $expgui(initstring)
3571
3572	# resize the notebook to fit all the tabs and the largest page
3573	ResizeNotebook
3574
3575	RaisePage lsFrame
3576	if {[CountHistory] > 100} {
3577	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3578	}

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