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source: trunk/expgui @ 385

Last change on this file since 385 was 385, checked in by toby, 13 years ago
# on 2001/04/17 22:51:20, toby did: Use CR/LF format files on all platforms
Property rcs:author set to `toby` Property rcs:date set to `2001/04/17 22:51:20` Property rcs:lines set to `+5 -7` Property rcs:rev set to `1.41` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 121.4 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 385 2009-12-04 23:05:17Z toby $
3	set expgui(Revision) {$Revision: 385 $ $Date: 2009-12-04 23:05:17 +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	# default for archive mode = on
67	set expgui(archive) 1
68	# default for autoexec load = off
69	set expgui(autoexpload) 0
70	# by default expgui is iconified while GENLES, etc runs
71	set expgui(autoiconify) 1
72	# default for show EXPTOOL output = off
73	set expgui(showexptool) 0
74	# save the name of the wish executable
75	set wishshell [info nameofexecutable]
76	# misc constants
77	set txtvw(font) "Courier"
78	set expgui(coordfont) "--courier-bold-r-normal--12-"
79	set expgui(histfont) "--courier-bold-r-normal--12-"
80	set liveplot(hst) 1
81	set liveplot(legend) 1
82	set expgui(filesort) 1
83	set expgui(initstring) {}
84	# use a separate window for DISAGL (default)
85	set expgui(disaglSeparateBox) 1
86	set expgui(DefaultPeakType) 0
87	# default: keep current atoms when replacing a phase
88	set expgui(DeleteAllAtoms) 0
89	#=============================================================================
90	#----------------------------------------------------------------
91	# where are we?
92	set expgui(script) [info script]
93	# translate links -- go six levels deep
94	foreach i {1 2 3 4 5 6} {
95	if {[file type $expgui(script)] == "link"} {
96	set link [file readlink $expgui(script)]
97	if { [file pathtype $link] == "absolute" } {
98	set expgui(script) $link
99	} {
100	set expgui(script) [file dirname $expgui(script)]/$link
101	}
102	} else {
103	break
104	}
105	}
106	# fixup relative paths
107	if {[file pathtype $expgui(script)] == "relative"} {
108	set expgui(script) [file join [pwd] $expgui(script)]
109	}
110	set expgui(scriptdir) [file dirname $expgui(script) ]
111	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
112	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
113	set expgui(docdir) [file join $expgui(scriptdir) doc]
114	#----------------------------------------------------------------
115	lappend auto_path $expgui(scriptdir)
116	set expgui(havetix) 0
117	set expgui(haveBW) 1
118	# for debugging non-BWidget version set environment variable NOBWIDGET
119	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
120	if $expgui(haveBW) {
121	if [catch {package require BWidget}] {set expgui(haveBW) 0}
122	}
123	# get the notebook widget if not using BWidgets
124	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
125	#----------------------------------------------------------------
126	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
127	source [file join $expgui(scriptdir) opts.tcl]
128	}
129	# fetch EXP file processing routines
130	source [file join $expgui(scriptdir) readexp.tcl]
131	# commands for running GSAS programs
132	source [file join $expgui(scriptdir) gsascmds.tcl]
133	# contents of GSAS menus
134	source [file join $expgui(scriptdir) gsasmenu.tcl]
135	# commands for adding phases, histograms & atoms
136	source [file join $expgui(scriptdir) addcmds.tcl]
137	# commands for preferred orientation
138	source [file join $expgui(scriptdir) orient.tcl]
139	#---------------------------------------------------------------------------
140	# override options with locally defined values
141	if [file exists [file join $expgui(scriptdir) localconfig]] {
142	source [file join $expgui(scriptdir) localconfig]
143	}
144	if [file exists [file join ~ .gsas_config]] {
145	source [file join ~ .gsas_config]
146	}
147	#---------------------------------------------------------------------------
148	# platform-specific code
149	if {$tcl_platform(platform) == "windows" \
150	&& $tcl_platform(os) == "Windows 95"} {
151	if [catch {package require winexec}] {
152	MyMessageBox -parent . -title "WINEXEC Error" \
153	-message "Error -- Unable to load the WINEXEC package. This is needed in Win95 machines" \
154	-icon error -type Quit -default quit \
155	-helplink "expgui_Win_readme.html Winexec"
156	destroy .
157	}
158	}
159	if {$tcl_platform(platform) == "windows"} {
160	# check the path -- can DOS use it?
161	if {[string first {\\} $expgui(script) ] != -1} {
162	MyMessageBox -parent . -title "Invalid Path" \
163	-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} \
164	-icon error -type {"Limp Ahead"} -default "limp ahead" \
165	-helplink "expgui_Win_readme.html NetPath"
166	}
167	#
168	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
169	if ![file exists [file join $expgui(gsasdir) fonts grfont.dat]] {
170	MyMessageBox -parent . -title "PGPLOT Error" \
171	-message "Warning -- Unable to find file GRFONT.DAT. GSAS graphics will not work. Is GSAS correctly installed?" \
172	-icon warning -type {"Limp Ahead"} -default "Limp Ahead" \
173	-helplink "expguierr.html NoPGPLOT"
174	}
175	} else {
176	set expgui(exptool) [file join $expgui(gsasexe) exptool]
177	if ![file exists [file join $expgui(gsasdir) pgl grfont.dat]] {
178	MyMessageBox -parent . -title "PGPLOT Error" \
179	-message "Warning -- Unable to find file grfont.dat. GSAS graphics will not work. Is GSAS correctly installed?" \
180	-icon warning -type {"Limp Ahead"} -default "Limp Ahead" \
181	-helplink "expguierr.html NoPGPLOT"
182	}
183	if [catch {set env(GSASBACKSPACE)}] {set env(GSASBACKSPACE) 1}
184	}
185	#---------------------------------------------------------------------------
186	if {$expgui(expfile) != ""} {
187	if ![file exists $expgui(expfile)] {
188	update
189	set ans [
190	MyMessageBox -parent . -title "File Open Error" \
191	-message "File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]. OK to create?" \
192	-icon question -type {"Select other" "Create"} -default "select other" \
193	-helplink "expguierr.html OpenErr"
194	]
195	if {[string tolower $ans] != "create"} {set expgui(expfile) {}}
196	}
197	}
198	if {$expgui(expfile) == ""} {
199	# center the parent window because the getExpFileName window
200	# will be centered above it.
201	wm withdraw .
202	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
203	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
204	wm geom . +$x+$y
205	wm deiconify .
206	# windows needed this update before when using tk_getOpenFile.
207	# I am not sure it is still needed.
208	update
209	#
210	set expgui(expfile) [getExpFileName old]
211	}
212	if {$expgui(expfile) == ""} exit
213	# you've been warned this .EXP does not exist!
214	if ![file exists $expgui(expfile)] {
215	# create an "empty" exp file
216	createexp $expgui(expfile) \
217	[getstring "title for experiment $expgui(expfile)" 60 0]
218	}
219	catch {cd [string trim [file dirname $expgui(expfile)]]}
220
221	#
222	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
223	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
224	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
225	# load exp file and set up dialogs
226	proc loadexp {expfile} {
227	global expgui expmap entryvar entrycmd tcl_platform
228	set exploadtime [time {set fmt [expload $expfile]}]
229	if $expgui(debug) {puts "expload $exploadtime"}
230	# if the file was not in the correct format, force a rewrite before use
231	if {$fmt < 0} {
232	# read error
233	return
234	} elseif {$fmt == 1} {
235	set expgui(changed) 0
236	} else {
237	set expgui(changed) 1
238	}
239
240	# force exp files to be upper case, force save if name changes
241	set filetail [file tail $expfile]
242	set filetailcaps [string toupper $filetail]
243	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
244	set expgui(changed) 1
245	}
246	if {[file dirname $expfile] == "."} {
247	set expgui(expfile) $filetailcaps
248	} else {
249	set expgui(expfile) [file join \
250	[file dirname $expfile] $filetailcaps]
251	}
252
253	mapexp
254	set expgui(expModifiedLast) 0
255	catch {
256	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
257	}
258	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
259	# set the window/icon title
260	wm title . "EXPGUI $expfile"
261	set expgui(titleunchanged) 1
262	wm iconname . [file tail $expfile]
263
264	# set the number of phases on the phase page
265	setphases
266
267	# disable the "global options" that don't make sense based on
268	# which histograms present
269	foreach num {1 2 3 4 5} {
270	set flag($num) 0
271	}
272	# save a list of the allowed modes, too
273	set expgui(AllowedHistSelectModes) {0 6}
274	foreach h $expmap(powderlist) {
275	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
276	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
277	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
278	[histinfo $h lam2] != 0.0} {set flag(3) 1}
279	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
280	[histinfo $h lam2] == 0.0} {set flag(4) 1}
281	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
282	}
283	foreach num {1 2 3 4 5} \
284	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
285	"Energy Disp Xray"} {
286	if $flag($num) {
287	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
288	lappend expgui(AllowedHistSelectModes) $num
289	} else {
290	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
291	}
292	}
293	# disable traces on entryvar until we are ready
294	set entrycmd(trace) 0
295	trace vdelete entryvar w entvartrace
296
297	# propogate changes on the least squares page
298	set entryvar(cycles) [expinfo cycles]
299	set entrycmd(cycles) "expinfo cycles"
300	# set expgui(globalmode) 0
301	set expgui(printopt) "Print Options ([expinfo print])"
302	set entryvar(title) [expinfo title]
303	global printopts
304	foreach num [array names printopts] {
305	set entrycmd(printopt$num) "printsetting $num"
306	set entryvar(printopt$num) [printsetting $num]
307	}
308	# enable traces on entryvar
309	set entrycmd(trace) 1
310	trace variable entryvar w entvartrace
311
312	# set fo extraction on LS page
313	SetupExtractHist
314
315	# update the histogram list & update the page
316	sethistlist
317
318	# start checking for external changes
319	afterawhile
320	}
321
322	# called to reread the .EXP file
323	proc rereadexp {expfile} {
324	global expgui
325	if $expgui(changed) {
326	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
327	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
328	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
329	switch $decision {
330	0 { savearchiveexp }
331	1 { }
332	2 { return }
333	}
334	}
335	loadexp $expgui(expfile)
336	}
337
338	proc SaveAsFile {} {
339	global expgui
340	set newexpfile [getExpFileName new]
341	if {$newexpfile == ""} return
342	expwrite $newexpfile
343	set expgui(expfile) $newexpfile
344	catch {cd [string trim [file dirname $expgui(expfile)]]}
345	set expgui(changed) 0
346	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
347	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
348	# set the window/icon title
349	wm title . $expgui(expfile)
350	set expgui(titleunchanged) 1
351	wm iconname . [file tail $expgui(expfile)]
352	}
353
354	# called to read a different .EXP file
355	proc readnewexp {} {
356	global expgui expmap
357	if $expgui(changed) {
358	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
359	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
360	{} 0 "Save and read" "Read without Save" "Cancel read command"]
361	switch $decision {
362	0 { savearchiveexp }
363	1 { }
364	2 { return }
365	}
366	}
367	set newexpfile [getExpFileName old]
368	if {$newexpfile == ""} return
369
370	# switch to the 1st page
371	RaisePage lsFrame
372
373	if ![file exists $newexpfile] {
374	# you've been warned this .EXP does not exist!
375	# create an "empty" exp file
376	createexp $newexpfile \
377	[getstring "title for experiment $newexpfile" 60 0]
378	}
379	set expgui(expfile) $newexpfile
380	catch {cd [string trim [file dirname $expgui(expfile)]]}
381	set expgui(globalmode) 0
382	loadexp $expgui(expfile)
383
384	# select the 1st phase
385	SelectOnePhase [lindex $expmap(phaselist) 0]
386	# select the first histogram in the list by default (if there are any)
387	if {[llength $expmap(histlistboxcontents)] > 0} {
388	set expgui(curhist) 0
389	} else {
390	set expgui(curhist) {}
391	}
392	if {[CountHistory] > 100} {
393	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
394	}
395	}
396
397	#------------- set up data read/write layer ----------------------
398	# trace routine on entryvar
399	proc entvartrace {array elem action} {
400	global expgui entrycmd entryvar entrybox
401	if !$entrycmd(trace) return
402
403	catch {
404	if {$entrycmd($elem) == ""} return
405	incr expgui(changed)
406	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
407	if {$entrycmd($elem) == ""} return
408	if [catch {
409	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
410	if {!$result} {
411	if $expgui(debug) {puts "error with $entrycmd($elem)"}
412	catch {$entrybox($elem) config -fg red}
413	} else {
414	catch {$entrybox($elem) config -fg black}
415	}
416	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
417	after idle {DisplayAllAtoms noreset}
418	}
419	} errmsg] {error $errmsg}
420	}
421	}
422
423	# disable traces on entryvar until we are ready
424	set entrycmd(trace) 0
425	trace variable entryvar w entvartrace
426
427	#
428	#
429	#
430	##############################################################################
431	##### #####################################################
432	##### PROCEDURES SECTION #####################################################
433	##### #####################################################
434	##############################################################################
435
436	# save some of the global options in ~/.gsas_config
437	proc SaveOptions {} {
438	global expgui env tcl_platform
439	set fp [open [file join ~ .gsas_config] a]
440	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
441	puts $fp "set expgui($item) $expgui($item)"
442	}
443	if {$tcl_platform(platform) != "windows"} {
444	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
445	}
446	puts $fp "set expgui(archive) $expgui(archive)"
447	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
448	puts $fp "set expgui(autoiconify) $expgui(autoiconify)"
449	close $fp
450	}
451
452	proc About { } {
453	global expgui expmap
454	tk_dialog .about {About...} \
455	"EXPGUI\n\
456	Jonathan Wasserman and Brian Toby\n\
457	NIST Center for Neutron Research\n\n\
458	2000, Not subject to copyright\n\n\
459	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
460	Generalized Structure Analysis System (GSAS)\n\
461	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
462	" \
463	info 0 OK
464	}
465
466	# wait until idle
467	proc afterawhile {} {
468	# cancel any other instances of this loop
469	after cancel afterawhile
470	after cancel whenidle
471	after cancel whenidle
472	after idle whenidle
473	}
474
475	# This is called every 2 seconds to check for changes to the .EXP file
476	proc whenidle {} {
477	global expgui tcl_platform
478	if $expgui(titleunchanged) {
479	if {$expgui(changed) != 0} {
480	wm title . "$expgui(expfile) (modified)"
481	set expgui(titleunchanged) 0
482	}
483	}
484	if {$expgui(expModifiedLast) == 0} {
485	after 2000 afterawhile
486	return
487	}
488	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
489	# we are "locked". Note that whenidle loop will be restarted later
490	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
491	return
492	}
493	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
494
495	if {$ans == 0} {
496	loadexp $expgui(expfile)
497	} elseif {$ans == 1} {
498	# reset the time to the next version
499	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
500	} elseif {$ans == 2} {
501	SaveAsFile
502	}
503	}
504	after 2000 afterawhile
505	}
506
507	# place a message about changes over the main window
508	proc ReloadExpMsg {file changes} {
509	global expgui tcl_platform
510	set msg "File $file has been modified by another program"
511	if {$changes == 1} {
512	append msg " and you have made a change to this version.\n"
513	} elseif {$changes > 0} {
514	append msg " and you have made $changes changes to this version.\n"
515	} else {
516	append msg ".\n"
517	}
518	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
519
520	set w .ask
521	catch {destroy $w}
522	toplevel $w -class Dialog
523	wm title $w "Reload?"
524	wm iconname $w "Reload?"
525	wm protocol $w WM_DELETE_WINDOW { }
526	wm transient $w .
527	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
528	pack [button $w.help -text Help -bg yellow \
529	-command "MakeWWWHelp expguierr.html Overwrite"] \
530	-side top -anchor e
531	frame $w.bot
532	pack $w.bot -side bottom
533	frame $w.top
534	pack $w.top -side top -fill both -expand 1
535	label $w.top.msg -justify left \
536	-wraplength 5i -font {Times 18} \
537	-text $msg
538	if {$tcl_platform(platform) == "windows"} {
539	$w.top.msg config -font {Times 14}
540	}
541	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
542	pack [button $w.bot.1 -text "Load new" \
543	-default active -command "set expgui(dialogbutton) 0" \
544	] -side left -expand 1 -padx 3m -pady 2m
545	pack [button $w.bot.2 -text "Continue with old" \
546	-command "set expgui(dialogbutton) 1"] \
547	-side left -expand 1 -padx 3m -pady 2m
548	if {$changes > 0} {
549	pack [button $w.bot.3 -text "Save edited version" \
550	-command "set expgui(dialogbutton) 2"] \
551	-side left -expand 1 -padx 3m -pady 2m
552	}
553	# Create a binding for <Return> on the dialog
554	bind $w <Return> "tkButtonInvoke $w.bot.1"
555	wm withdraw $w
556	update idletasks
557
558	# for windows put the box in the upper left, for
559	# unix center it over the parent (in unix it appears later)
560	#if {$tcl_platform(platform) == "windows"} {
561	#wm geom $w +0+0
562	#} else {
563
564	# for now, always center the message over the main window
565	# center the new window in the middle of the parent
566	set x [expr [winfo x .] + [winfo width .]/2 - \
567	[winfo reqwidth $w]/2 - [winfo vrootx .]]
568	set y [expr [winfo y .] + [winfo height .]/2 - \
569	[winfo reqheight $w]/2 - [winfo vrooty .]]
570	wm geom $w +$x+$y
571	#}
572	wm deiconify $w
573
574	# Grab the focus
575	set oldFocus [focus]
576	set oldGrab [grab current $w]
577	if {[string compare $oldGrab ""]} {
578	set grabStatus [grab status $oldGrab]
579	}
580	grab $w
581	focus $w.bot.1
582	# for windows rearrange window stacking
583	# -- Removed since this will normally happen after the GSAS program
584	# has finished
585	#if {$tcl_platform(platform) == "windows"} {
586	#lower .
587	#raise $w .
588	#}
589	update idletasks
590
591	tkwait variable expgui(dialogbutton)
592	catch {focus $oldFocus}
593	destroy $w
594	if {[string compare $oldGrab ""]} {
595	if {![string compare $grabStatus "global"]} {
596	grab -global $oldGrab
597	} else {
598	grab $oldGrab
599	}
600	}
601	# for windows rearrange window stacking
602	#if {$tcl_platform(platform) == "windows"} {
603	#raise .
604	#}
605	return $expgui(dialogbutton)
606	}
607
608	# -------- called to confirm before exiting
609	proc catchQuit {} {
610	if {[confirmBeforeSave] == "Continue"} {
611	destroy .
612	}
613	}
614	# save the .EXP file before exiting?
615	proc confirmBeforeSave {} {
616	global expgui
617	if !$expgui(changed) {
618	return "Continue"
619	}
620	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
621	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
622	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
623	switch $decision {
624	0 { savearchiveexp; return "Continue" }
625	1 { return "Continue" }
626	2 { return "Cancel" }
627	}
628	}
629
630	proc archiveexp {} {
631	global expgui tcl_platform
632	# is there a file to archive
633	if {![file exists $expgui(expfile)]} return
634	catch {
635	set expnam [file rootname $expgui(expfile)]
636	if {$tcl_platform(platform) == "windows"} {
637	set version -1
638	catch {source $expnam.version}
639	incr version
640	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
641	# archive w/o pkzip
642	set file $expnam![format "%3.3d" $version].EXP
643	file copy -force $expnam.EXP $file
644	set fp [open $expnam.lst a]
645	puts $fp "\n--------------------------------------------------------------"
646	puts $fp "Archiving $expnam.EXP as $file"
647	puts $fp "--------------------------------------------------------------\n"
648	close $fp
649	} else {
650	# archive with PKZIP
651	# need to limit expnam to 8 characters
652	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
653	# PKZIP can't handle long dir names either
654	cd [set dir [file dirname $expnam]]
655	set file $sexp.[format "%3.3d" $version]
656	file copy -force $expnam.EXP $file
657	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
658	set fp [open $expnam.lst a]
659	puts $fp "\n--------------------------------------------------------------"
660	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
661	puts $fp "--------------------------------------------------------------\n"
662	close $fp
663	}
664	set fp [open $expnam.version w]
665	puts $fp "set version $version"
666	close $fp
667	} else {
668	set files [glob -nocomplain $expnam.EXP.*]
669	if {$files == ""} {
670	set file $expnam.EXP.000
671	} else {
672	set file [lindex [lsort -decreasing $files] 0]
673	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
674	incr number
675	set file $expnam.EXP.[format "%3.3d" $number]
676	}
677	file copy $expgui(expfile) $file
678	if [catch {exec gzip $file}] {
679	exec echo "\n----------------------------------------------" >> $expnam.LST
680	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
681	exec echo "----------------------------------------------\n" >> $expnam.LST
682	} else {
683	exec echo "\n----------------------------------------------" >> $expnam.LST
684	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
685	exec echo "----------------------------------------------\n" >> $expnam.LST
686	}
687	}
688	} errmsg
689	if {$errmsg != ""} {
690	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
691	}
692	}
693
694	# save and optionally archive the expfile
695	proc savearchiveexp {} {
696	global expgui expmap
697	if !$expgui(changed) return
698	if $expgui(archive) archiveexp
699	# add a history record
700	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
701	# now save the file
702	expwrite $expgui(expfile)
703	set expgui(changed) 0
704	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
705	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
706	wm title . $expgui(expfile)
707	set expgui(titleunchanged) 1
708	}
709
710	# setup buttons for each phase on the phase page
711	proc setphases {} {
712	global expgui expmap
713	eval destroy [winfo children $expgui(phaseFrame).top.ps]
714	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
715	foreach num $expmap(phaselist) type $expmap(phasetype) {
716	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
717	-command "SelectOnePhase $num" -padx 1.5m] -side left
718	if {$type > 3} {
719	$expgui(phaseFrame).top.ps.$num config -state disabled
720	}
721	}
722	if {[file executable $expgui(exptool)] && \
723	[llength $expmap(phaselist)]} {
724	pack [button $expgui(phaseFrame).top.ps.10 \
725	-text "Replace" -command MakeReplacePhaseBox \
726	] -side left
727	}
728	}
729
730	# Procedure to respond to changes the phase.
731	# This loads the "phases" widgets with data corresponding to the selected phase.
732	proc SelectOnePhase {num} {
733	global entryvar entrycmd entrybox expmap expgui
734	set crsPhase {}
735	$expgui(atomxform) config -text "Xform Atoms" -state disabled
736	foreach n $expmap(phaselist) type $expmap(phasetype) {
737	if {$n == $num && $type <= 3} {
738	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
739	set crsPhase $num
740	if {$type == 3} {
741	set expgui(phasetype) "Magnetic\nOnly"
742	} elseif {$type == 2} {
743	set expgui(phasetype) "Magnetic\n& Nuclear"
744	} elseif {$type == 4} {
745	# this is not used at present
746	set expgui(phasetype) "Macromolecular"
747	} else {
748	set expgui(phasetype) ""
749	}
750	} else {
751	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
752	}
753	}
754	# no phase is selected
755	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
756	# disable traces on entryvar
757	set entrycmd(trace) 0
758	set entrycmd(phasename) ""
759	set entryvar(phasename) ""
760	foreach ent {a b c alpha beta gamma cellref celldamp} {
761	set entrycmd($ent) ""
762	set entryvar($ent) ""
763	}
764	set expgui(curPhase) {}
765	# enable traces on entryvar
766	set entrycmd(trace) 1
767	$expgui(EditingAtoms) config -text ""
768	DisplayAtom 0 0
769	DisplayU 0 0
770	DisplayRefFlags 0 0
771	$expgui(atomlistbox) delete 0 end
772	return
773	}
774
775	set expgui(curPhase) $crsPhase
776	# we have a phase
777
778	# disable traces on entryvar for right now
779	set entrycmd(trace) 0
780
781	##########################################################
782	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
783	##########################################################
784	# phase title
785	set entrycmd(phasename) "phaseinfo $crsPhase name"
786	set entryvar(phasename) [phaseinfo $crsPhase name]
787	# cell parameters & flags
788	foreach ent {a b c alpha beta gamma cellref celldamp} {
789	set entrycmd($ent) "phaseinfo $crsPhase $ent"
790	set entryvar($ent) [phaseinfo $crsPhase $ent]
791	# reset item to black
792	catch {$entrybox($ent) config -fg black}
793	}
794
795	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
796	# initialize to diasbled
797	DisplayAtom 0 0
798	DisplayU 0 0
799	DisplayRefFlags 0 0
800	$expgui(EditingAtoms) config -text ""
801
802	DisplayAllAtoms
803
804	# enable traces on entryvar now
805	set entrycmd(trace) 1
806	}
807
808	set expgui(noreenterDisplayAllAtoms) 0
809	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
810	proc DisplayAllAtoms {"mode reset"} {
811	global entryvar entrycmd expmap expgui
812	# if it does not show, dont bother
813	if {$expgui(pagenow) != "phaseFrame"} return
814	if {$expgui(curPhase) == ""} return
815	if $expgui(noreenterDisplayAllAtoms) return
816
817	set expgui(noreenterDisplayAllAtoms) 1
818	if {$mode != "reset"} {
819	# save the scrolled position
820	set pos [lindex [$expgui(atomlistbox) yview] 0]
821	} else {
822	# this is a reset -- clear the selected atoms list
823	set expgui(selectedatomlist) {}
824	}
825	$expgui(atomlistbox) delete 0 end
826	# loop over atoms
827	set maxline I
828	set phase $expgui(curPhase)
829	set atomlist {}
830	set typehead "type "
831	set namehead " name "
832	set multhead "Mult"
833	set coordhead " "
834	set frachead "Occupancy"
835	if {$expgui(asorttype) == "type"} {
836	# sort on atom type
837	set typehead "type* "
838	foreach atom $expmap(atomlist_$phase) {
839	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
840	}
841	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
842	} elseif {$expgui(asorttype) == "number"} {
843	# sort on atom number
844	set namehead "* name "
845	foreach atom $expmap(atomlist_$phase) {
846	lappend atomlist "$atom $atom $phase"
847	}
848	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
849	} elseif {$expgui(asorttype) == "mult"} {
850	# sort on atom number
851	set multhead "Mlt*"
852	foreach atom $expmap(atomlist_$phase) {
853	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
854	}
855	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
856	} elseif {$expgui(asorttype) == "occupancy"} {
857	# sort on atom number
858	set frachead " Occup* "
859	foreach atom $expmap(atomlist_$phase) {
860	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
861	}
862	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
863	} elseif {$expgui(asorttype) == "x"} {
864	# sort on x
865	set coordhead "(x*)"
866	foreach atom $expmap(atomlist_$phase) {
867	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
868	}
869	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
870	} elseif {$expgui(asorttype) == "y"} {
871	# sort on y
872	set coordhead "(y*)"
873	foreach atom $expmap(atomlist_$phase) {
874	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
875	}
876	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
877	} elseif {$expgui(asorttype) == "z"} {
878	# sort on z
879	set coordhead "(z*)"
880	foreach atom $expmap(atomlist_$phase) {
881	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
882	}
883	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
884	} else {
885	error "Bad expgui(asorttype) = $expgui(asorttype)"
886	}
887
888	foreach tuple $expmap(atomlistboxcontents) {
889	set atom [lindex $tuple 0]
890	set phase [lindex $tuple 2]
891	set refflag {}
892	foreach type {x u f} {
893	if {[atominfo $phase $atom ${type}ref]} {
894	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
895	} else {
896	append refflag " [atominfo $phase $atom ${type}damp] "
897	}
898	}
899	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
900	$atom \
901	[atominfo $phase $atom label] \
902	[atominfo $phase $atom type] \
903	$refflag \
904	[atominfo $phase $atom x] \
905	[atominfo $phase $atom y] \
906	[atominfo $phase $atom z] \
907	[atominfo $phase $atom mult] \
908	[atominfo $phase $atom frac]
909	]
910
911	# add temperature factors (iso/anoiso)
912	if {[atominfo $phase $atom temptype] == "A"} {
913	set maxline A
914	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
915	[atominfo $phase $atom U11] \
916	[atominfo $phase $atom U22] \
917	[atominfo $phase $atom U33] \
918	[atominfo $phase $atom U12] \
919	[atominfo $phase $atom U23] \
920	[atominfo $phase $atom U13]
921	]
922	} else {
923	append line [format " %9.5f" \
924	[atominfo $phase $atom Uiso]
925	]
926	}
927	$expgui(atomlistbox) insert end $line
928	}
929	$expgui(atomtitle) delete 0 end
930	if {$maxline == "A"} {
931	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
932	$namehead $typehead "ref/damp " \
933	"fractional coordinates$coordhead" \
934	"$multhead $frachead" \
935	" Uiso/Uij "]
936	} else {
937	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
938	$namehead $typehead "ref/damp " \
939	"fractional coordinates$coordhead" \
940	"$multhead $frachead" \
941	" Uiso"]
942	}
943	if {$mode != "reset"} {
944	# restore the selected items
945	foreach i $expgui(selectedatomlist) {
946	$expgui(atomlistbox) selection set $i
947	}
948	# restore the last scrolled position
949	$expgui(atomlistbox) yview moveto $pos
950	}
951	set expgui(noreenterDisplayAllAtoms) 0
952	}
953
954	# Procedure to select all atoms in response to a right-click
955	proc SelectAllAtoms {} {
956	global expgui
957	$expgui(atomlistbox) selection set 0 end
958	# call editRecord in case trace was called before the selection was made
959	editRecord
960	}
961
962	# Procedure to respond to left mouse release in the atoms Pane
963	proc editRecord { args } {
964	global entrycmd expgui
965	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
966	# disable traces on entryvar for right now
967	set entrycmd(trace) 0
968
969	if {[llength $expgui(selectedatomlist)] == 0} {
970	if $expgui(debug) {error "Attempt display non-existent atoms"}
971	} elseif {[llength $expgui(selectedatomlist)] == 1} {
972	editOneRecord $expgui(selectedatomlist)
973	} else {
974	editMultipleRecords $expgui(selectedatomlist)
975	}
976	# reenable traces on entryvar
977	set entrycmd(trace) 1
978	# repaint the atoms box in case anything was changed
979	# DisplayAllAtoms noreset
980	}
981
982	proc editOneRecord { AtomIndex } {
983	global expmap expgui
984	# get atom number & phase
985	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
986	set atomnum [lindex $tuple 0]
987	set p [lindex $tuple 2]
988	DisplayU $atomnum $p
989	DisplayAtom $atomnum $p
990	DisplayRefFlags $atomnum $p
991	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
992	$expgui(atomxform) config -text "Xform Atom" -state normal
993	}
994
995	# this will not work for a multi-phase list of atoms (yet)
996	proc editMultipleRecords { AtomIndexList } {
997	global expmap expgui
998	set numberList {}
999	# current phase
1000	set p $expgui(curPhase)
1001	foreach AtomIndex $AtomIndexList {
1002	# get atom number & phase
1003	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1004	lappend numberList [lindex $tuple 0]
1005	# set p [lindex $tuple 2]
1006	}
1007	# this needs to track by phase
1008	$expgui(EditingAtoms) config -text \
1009	"Set refinement options: atoms [CompressList $numberList]"
1010	DisplayU 0 0
1011	DisplayAtom 0 0
1012	# this needs to track by phase
1013	DisplayRefFlags $numberList $p
1014	$expgui(atomxform) config -text "Xform Atoms" -state normal
1015	}
1016
1017	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
1018	# becomes "1-4,6,7,13-15,19"
1019	proc CompressList {numberList} {
1020	# format the number list to save space
1021	set lastnum -99
1022	set flist {}
1023	set count 0
1024	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
1025	foreach num $sortlist {
1026	set next [expr $lastnum+1]
1027	if {$num != $next} {
1028	if {$count == 0 && $flist != ""} {
1029	append flist ",$num"
1030	} elseif {$count == 1 && $flist != ""} {
1031	append flist ",$lastnum,$num"
1032	} elseif {$flist != ""} {
1033	append flist "-$lastnum,$num"
1034	} else {
1035	append flist "$num"
1036	}
1037	set lastnum $num
1038	set count 0
1039	} else {
1040	incr count
1041	incr lastnum
1042	}
1043	}
1044	if {$count == 1 && $flist != ""} {
1045	append flist ",$lastnum"
1046	} elseif {$flist != "" && $count > 1} {
1047	append flist "-$lastnum"
1048	}
1049	return $flist
1050	}
1051
1052	# Procedure to display Isotropic or Anisotropic temperature factors
1053	# Changes the display to one entry widget for Isotropic motion OR
1054	# 6 entry widgets for Anisotropic motion in Frame3.
1055	# or disables the widet entirly if atom = 0
1056	proc DisplayU { atomnum p} {
1057	global expgui entryvar entrycmd
1058	if {$atomnum == 0} {
1059	set iOrA disable
1060	} else {
1061	set iOrA [atominfo $p $atomnum temptype]
1062	}
1063
1064	set firstbox [lindex $expgui(anisolabels) 0]
1065	if { $iOrA == "A" } {
1066	$firstbox config -text "U11 "
1067	foreach item $expgui(anisolabels) {
1068	$item config -fg black
1069	}
1070	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1071	set entrycmd($var) "atominfo $p $atomnum $var"
1072	set entryvar($var) [eval $entrycmd($var)]
1073	$item config -fg black -state normal -bg white
1074	}
1075	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1076	foreach item $expgui(anisolabels) {
1077	$item config -fg $expgui(bkgcolor1)
1078	}
1079	foreach item [lrange $expgui(anisoentry) 1 end] \
1080	var {U22 U33 U12 U13 U23} {
1081	set entrycmd($var) ""
1082	set entryvar($var) ""
1083	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1084	-state disabled
1085	}
1086	if { $iOrA == "disable"} {
1087	set entrycmd($var) ""
1088	set entryvar($var) ""
1089	[lindex $expgui(anisoentry) 0] config \
1090	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1091	-state disabled
1092	} else {
1093	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1094	set entryvar(U11) [eval $entrycmd(U11)]
1095	$firstbox config -text Uiso -fg black
1096	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1097	}
1098	}
1099	}
1100
1101	# need to think about multiple phases
1102
1103	# Procedure to display refinement flags
1104	proc DisplayRefFlags { atomnum p} {
1105	global expgui entryvar entrycmd
1106	if {$atomnum == 0} {
1107	foreach label $expgui(atomreflbl) {
1108	$label config -fg $expgui(bkgcolor1)
1109	}
1110	foreach entry $expgui(atomref) {
1111	$entry config -state disabled \
1112	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1113	# turn off checkbuttons
1114	catch {$entry deselect}
1115
1116	}
1117	return
1118	}
1119	foreach label $expgui(atomreflbl) {
1120	$label config -fg black
1121	}
1122	foreach entry $expgui(atomref) {
1123	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1124	}
1125	foreach var {xref uref fref xdamp udamp fdamp} {
1126	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1127	set entryvar($var) [eval $entrycmd($var)]
1128	}
1129	}
1130
1131	# Procedure to display an atom in the atom edit boxes
1132	proc DisplayAtom { atomnum p} {
1133	global expgui entryvar entrycmd
1134	if {$atomnum == 0} {
1135	foreach label $expgui(atomlabels) {
1136	$label config -fg $expgui(bkgcolor1)
1137	}
1138	foreach entry $expgui(atomentry) {
1139	$entry config -state disabled \
1140	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1141	}
1142	return
1143	}
1144	foreach label $expgui(atomlabels) {
1145	$label config -fg black
1146	}
1147	foreach entry $expgui(atomentry) {
1148	$entry config -state normal -fg black -bg white
1149	}
1150	foreach var {x y z label frac } {
1151	set entrycmd($var) "atominfo $p $atomnum $var"
1152	set entryvar($var) [eval $entrycmd($var)]
1153	}
1154	}
1155
1156	# make a histogram box; used in MakeHistPane,
1157	proc MakeHistBox {frm} {
1158	global expgui
1159	grid [label $frm.mode -text "Select a Histogram" \
1160	-bg beige -anchor center] \
1161	-row 0 -column 0 -columnspan 2 -sticky ew
1162	bind $frm.mode <Button-1> {
1163	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1164	set expgui(globalmode) [lindex \
1165	"$expgui(AllowedHistSelectModes) \
1166	$expgui(AllowedHistSelectModes)" [incr i]]
1167	sethistlist
1168	}
1169	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1170	grid [listbox $frm.title -height 1 -relief flat \
1171	-exportselection 0 \
1172	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1173	grid [listbox $frm.lbox -height 10 -width 25 \
1174	-exportselection 0 \
1175	-font $expgui(histfont) \
1176	-xscrollcommand "$frm.x set" \
1177	-yscrollcommand "$frm.y set" \
1178	] -row 2 -column 0 -sticky news
1179	lappend expgui(HistSelectList) $frm
1180	grid [scrollbar $frm.x -orient horizontal \
1181	-command "move2boxes \" $frm.title $frm.lbox \" "
1182	] -row 3 -column 0 -sticky ew
1183	grid [scrollbar $frm.y \
1184	-command "$frm.lbox yview"] \
1185	-row 2 -column 1 -sticky ns
1186	grid columnconfigure $frm 0 -weight 1
1187	grid rowconfigure $frm 2 -weight 1
1188	}
1189
1190	# update the histogram list
1191	# to do: show histogram ref flags?
1192	proc sethistlist {} {
1193	global expgui expmap
1194	array set lbl {
1195	1 "Select 1 or more\nTOF Histograms"
1196	2 "Select 1 or more\nCW Neutron Histograms"
1197	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1198	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1199	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1200	6 "Select 1 or more of\n any type Histograms"
1201	}
1202	foreach lbox $expgui(HistSelectList) {
1203	$lbox.title delete 0 end
1204	$lbox.lbox delete 0 end
1205	if {$expgui(globalmode) != 0} {
1206	$lbox.lbox config -selectmode extended
1207	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1208	} else {
1209	$lbox.lbox config -selectmode browse
1210	$lbox.mode config -text "Select a histogram" -bg beige
1211	}
1212	}
1213	# disable the unallowed pages in all mode
1214	if {$expgui(globalmode) == 6} {
1215	foreach pair $expgui(GlobalModeAllDisable) {
1216	if {$expgui(pagenow) == [lindex $pair 0]} {
1217	RaisePage lsFrame
1218	}
1219	eval [lindex $pair 1] -state disabled
1220	}
1221	} else {
1222	foreach pair $expgui(GlobalModeAllDisable) {
1223	eval [lindex $pair 1] -state normal
1224	}
1225	}
1226	set histlist {}
1227	if {$expgui(hsorttype) == "type"} {
1228	# sort on histogram type
1229	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1230	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1231	}
1232	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1233	} elseif {$expgui(hsorttype) == "number"} {
1234	# sort on histogram number
1235	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1236	lappend histlist "$h $h"
1237	}
1238	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1239	} elseif {$expgui(hsorttype) == "bank"} {
1240	# sort on original bank number
1241	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1242	lappend histlist "$h [histinfo $h bank]"
1243	}
1244	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1245	} elseif {$expgui(hsorttype) == "angle"} {
1246	# sort on wavelength (CW) or angle (E disp.)
1247	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1248	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1249	set det [format %8.2f [histinfo $h tofangle]]
1250	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1251	set det [format %8.5f [histinfo $h lam1]]
1252	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1253	set det [format %8.2f [histinfo $h lam1]]
1254	} else {
1255	set det {}
1256	}
1257	lappend histlist "$h $det"
1258	}
1259	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1260	}
1261
1262	# title field needs to match longest title
1263	foreach lbox $expgui(HistSelectList) {
1264	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1265	"h#" \
1266	type \
1267	bank \
1268	"ang/wave" \
1269	" title" \
1270	]
1271	}
1272	foreach tuple $expmap(histlistboxcontents) {
1273	set h [lindex $tuple 0]
1274
1275	if {$expgui(globalmode) == 1} {
1276	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1277	} elseif {$expgui(globalmode) == 2} {
1278	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1279	} elseif {$expgui(globalmode) == 3} {
1280	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1281	[histinfo $h lam2] == 0.0} continue
1282	} elseif {$expgui(globalmode) == 4} {
1283	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1284	[histinfo $h lam2] != 0.0} continue
1285	} elseif {$expgui(globalmode) == 5} {
1286	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1287	}
1288
1289	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1290	set det [format %8.2f [histinfo $h tofangle]]
1291	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1292	set det [format %8.5f [histinfo $h lam1]]
1293	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1294	set det [format %8.2f [histinfo $h lam1]]
1295	} else {
1296	set det {}
1297	}
1298	foreach lbox $expgui(HistSelectList) {
1299	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1300	$h \
1301	[string range $expmap(htype_$h) 1 2] \
1302	[histinfo $h bank] \
1303	$det \
1304	[string range [histinfo $h title] 0 66] \
1305	]
1306	}
1307	}
1308	UpdateCurrentPage
1309	}
1310
1311	proc UpdateCurrentPage {} {
1312	global expgui
1313	foreach set $expgui(frameactionlist) {
1314	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1315	}
1316	}
1317
1318	#-----------------------------------------------------------------------
1319	# ----------- draw Histogram page
1320	#-----------------------------------------------------------------------
1321	proc DisplayHistogram {} {
1322	global expgui entrycmd entryvar entrybox expmap
1323
1324	# trap if more than one histogram is selected unless global mode
1325	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1326	set expgui(curhist) [lindex $expgui(curhist) 0]
1327	}
1328
1329	# disable the add histogram button if no phases are present
1330	if {[llength $expmap(phaselist)] == 0} {
1331	$expgui(histFrame).newh configure -state disabled
1332	} else {
1333	$expgui(histFrame).newh configure -state normal
1334	}
1335
1336	# display the selected histograms
1337	$expgui(histFrame).hs.lbox selection clear 0 end
1338	foreach h $expgui(curhist) {
1339	$expgui(histFrame).hs.lbox selection set $h
1340	}
1341
1342	# disable traces on entryvar for right now
1343	set entrycmd(trace) 0
1344
1345	# get histogram list
1346	set histlist {}
1347	foreach item $expgui(curhist) {
1348	lappend histlist [lindex $expmap(powderlist) $item]
1349	}
1350	# must have at least one histogram selected here
1351	if {[llength $histlist] == 0} {
1352	set expgui(backtermlbl) ""
1353	set expgui(backtypelbl) ""
1354	foreach var {bref bdamp} {
1355	set entrycmd($var) ""
1356	set entryvar($var) ""
1357	}
1358	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1359	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1360	set expgui(bkglbl) ""
1361	eval destroy [winfo children $expgui(diffBox)]
1362	set entrycmd(trace) 1
1363	return
1364	}
1365
1366	if {$expgui(globalmode) != 0} {
1367	set expgui(backtermlbl) ""
1368	set expgui(backtypelbl) ""
1369	foreach var {bref bdamp} {
1370	set entrycmd($var) "histinfo [list $histlist] $var"
1371	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1372	}
1373	} else {
1374	set hist $histlist
1375	set terms [histinfo $hist backterms]
1376	set expgui(backtermlbl) "($terms terms)"
1377	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1378	foreach var {bref bdamp} {
1379	set entrycmd($var) "histinfo $hist $var"
1380	set entryvar($var) [eval $entrycmd($var)]
1381	}
1382	}
1383	# Top box
1384	if $expgui(haveBW) {
1385	catch {destroy $expgui(histFrame).pflag}
1386	}
1387	if {$expgui(globalmode) != 0} {
1388	$expgui(histFrame).top.txt config \
1389	-text "Selected Histograms: [CompressList $histlist]"
1390	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1391	set expgui(bkglbl) "Globally Edit Background"
1392	} else {
1393	grid forget $expgui(histFrame).top
1394	set expgui(bkglbl) "Edit Background"
1395	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1396	TitleFrame $expgui(histFrame).pflag \
1397	-borderwidth 4 -side left -relief groove \
1398	-text "Phase Flags"
1399	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1400	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1401	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1402	foreach p $expmap(phaselist) {
1403	pack [checkbutton $expgui(pflag).$p \
1404	-command "GetPhaseFlags $hist" \
1405	-variable expgui(pflag$p) -text $p] -side left
1406	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1407	set expgui(pflag$p) 0
1408	} else {
1409	set expgui(pflag$p) 1
1410	}
1411	}
1412	}
1413	}
1414
1415	# diffractometer constants
1416	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1417	wref pref dcref daref ratref ttref zref } {
1418	set entrycmd($var) "histinfo [list $histlist] $var"
1419	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1420	}
1421
1422	eval destroy [winfo children $expgui(diffBox)]
1423	if {$expgui(globalmode) == 0} {
1424	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1425	#------
1426	# TOF \|
1427	#------
1428	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1429	-column 1 -row 1
1430	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1431	-column 2 -row 1
1432	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1433	-column 3 -row 1 -sticky w
1434	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1435	-width 15 ] -column 4 -row 1
1436	set entrybox(lam1) $expgui(diffBox).eDCdifc
1437	#
1438	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1439	-column 1 -row 2
1440	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1441	-column 2 -row 2
1442	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1443	-column 3 -row 2
1444	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1445	-width 15 ] -column 4 -row 2
1446	set entrybox(lam2) $expgui(diffBox).eDCdifa
1447	#
1448	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1449	-column 3 -row 3
1450	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1451	-width 15 ] -column 4 -row 3
1452	set entrybox(zero) $expgui(diffBox).eDCzero
1453	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1454	-column 1 -row 3 -sticky w
1455	grid [ checkbutton $expgui(diffBox).rfDCzref \
1456	-variable entryvar(zref) ] -column 2 -row 3
1457	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1458	#---------------
1459	# CW - neutron \|
1460	#---------------
1461	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1462	-column 1 -row 1
1463	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1464	-column 2 -row 1
1465	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1466	-column 3 -row 1 -sticky w
1467	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1468	-width 15 ] -column 4 -row 1
1469	set entrybox(lam1) $expgui(diffBox).eDCdifc
1470	#
1471	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1472	-column 1 -row 3 -sticky w
1473	grid [ checkbutton $expgui(diffBox).rfDCzref \
1474	-variable entryvar(zref) ] -column 2 -row 3
1475	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1476	-column 3 -row 3
1477	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1478	-width 15 ] -column 4 -row 3
1479	set entrybox(zero) $expgui(diffBox).eDCzero
1480	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1481	[histinfo $hist lam2] == 0.0} {
1482	#--------------------------
1483	# CW - x-ray 1 wavelength \|
1484	#--------------------------
1485	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1486	-column 1 -row 1
1487	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1488	-column 2 -row 1
1489	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1490	-column 3 -row 1 -sticky w
1491	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1492	-width 15 ] -column 4 -row 1
1493	set entrybox(lam1) $expgui(diffBox).eDCdifc
1494	#
1495	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1496	-column 1 -row 3 -sticky w
1497	grid [ checkbutton $expgui(diffBox).rfDCzref \
1498	-variable entryvar(zref) ] -column 2 -row 3
1499	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1500	-column 3 -row 3
1501	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1502	-width 15 ] -column 4 -row 3
1503	set entrybox(zero) $expgui(diffBox).eDCzero
1504	#
1505	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1506	-column 1 -row 4 -sticky w
1507	grid [ checkbutton $expgui(diffBox).rfDCpref \
1508	-variable entryvar(pref) ] -column 2 -row 4
1509	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1510	-column 3 -row 4
1511	grid [ entry $expgui(diffBox).eDCpola \
1512	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1513	set entrybox(pola) $expgui(diffBox).eDCpola
1514	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1515	-column 5 -row 4
1516	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1517	-textvariable entryvar(ipola)] -column 6 -row 4
1518	set entrybox(ipola) $expgui(diffBox).eDCipola
1519	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1520	#---------------------------
1521	# CW - x-ray 2 wavelengths \|
1522	#---------------------------
1523	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1524	-column 3 -row 1 -sticky w
1525	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1526	-width 15 ] -column 4 -row 1
1527	set entrybox(lam1) $expgui(diffBox).eDCdifc
1528	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1529	-width 15 ] -column 5 -row 1
1530	set entrybox(lam2) $expgui(diffBox).eDCdifa
1531	#
1532	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1533	-column 1 -row 2 -sticky w
1534	grid [ checkbutton $expgui(diffBox).rfDCrref \
1535	-variable entryvar(ratref) ] -column 2 -row 2
1536	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1537	-column 3 -row 2
1538	grid [ entry $expgui(diffBox).eDCkratio \
1539	-textvariable entryvar(kratio) \
1540	-width 15 ] -column 4 -row 2
1541	set entrybox(kratio) $expgui(diffBox).eDCkratio
1542	#
1543	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1544	-column 3 -row 3
1545	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1546	-width 15 ] -column 4 -row 3
1547	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1548	-column 1 -row 3 -sticky w
1549	set entrybox(zero) $expgui(diffBox).eDCzero
1550	grid [ checkbutton $expgui(diffBox).rfDCzref \
1551	-variable entryvar(zref) ] -column 2 -row 3
1552	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1553	-column 1 -row 4 -sticky w
1554	grid [ checkbutton $expgui(diffBox).rfDCpref \
1555	-variable entryvar(pref) ] -column 2 -row 4
1556	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1557	-column 3 -row 4
1558	grid [ entry $expgui(diffBox).eDCpola \
1559	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1560	set entrybox(pola) $expgui(diffBox).eDCpola
1561	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1562	-column 5 -row 4
1563	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1564	-textvariable entryvar(ipola)] -column 6 -row 4
1565	set entrybox(ipola) $expgui(diffBox).eDCipola
1566	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1567	#-------------
1568	# ED - x-ray \|
1569	#-------------
1570	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1571	-column 1 -row 1
1572	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1573	-column 2 -row 1
1574	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1575	-column 3 -row 1 -sticky w
1576	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1577	-width 15 ] -column 4 -row 1
1578	set entrybox(lam1) $expgui(diffBox).eDCdifc
1579	#
1580	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1581	-column 1 -row 4 -sticky w
1582	grid [ checkbutton $expgui(diffBox).rfDCpref \
1583	-variable entryvar(pref) ] -column 2 -row 4
1584	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1585	-column 3 -row 4
1586	grid [ entry $expgui(diffBox).eDCpola \
1587	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1588	set entrybox(pola) $expgui(diffBox).eDCpola
1589	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1590	-column 5 -row 4
1591	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1592	-textvariable entryvar(ipola)] -column 6 -row 4
1593	set entrybox(ipola) $expgui(diffBox).eDCipola
1594	}
1595	} elseif {$expgui(globalmode) == 1} {
1596	#-------------
1597	# Global TOF \|
1598	#-------------
1599	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1600	-column 1 -row 1
1601	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1602	-column 2 -row 1
1603	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1604	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1605	#
1606	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1607	-column 1 -row 2
1608	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1609	-column 2 -row 2
1610	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1611	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1612	#
1613	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1614	-column 1 -row 3 -sticky w
1615	grid [ checkbutton $expgui(diffBox).rfDCzref \
1616	-variable entryvar(zref) ] -column 2 -row 3
1617	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1618	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1619	} elseif {$expgui(globalmode) == 2} {
1620	#--------------------
1621	# Global CW neutron \|
1622	#--------------------
1623	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1624	-column 1 -row 1
1625	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1626	-column 2 -row 1
1627	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1628	-command "editglobalparm histinfo lam1 Wavelength"] \
1629	-column 3 -row 1
1630	#
1631	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1632	-column 1 -row 3 -sticky w
1633	grid [ checkbutton $expgui(diffBox).rfDCzref \
1634	-variable entryvar(zref) ] -column 2 -row 3
1635	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1636	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1637	} elseif {$expgui(globalmode) == 4} {
1638	#----------------------
1639	# Global CW mono xray \|
1640	#----------------------
1641	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1642	-column 1 -row 1
1643	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1644	-column 2 -row 1
1645	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1646	-command "editglobalparm histinfo lam1 Wavelength"] \
1647	-column 3 -row 1
1648	#
1649	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1650	-column 1 -row 3 -sticky w
1651	grid [ checkbutton $expgui(diffBox).rfDCzref \
1652	-variable entryvar(zref) ] -column 2 -row 3
1653	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1654	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1655	#
1656	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1657	-column 1 -row 4 -sticky w
1658	grid [ checkbutton $expgui(diffBox).rfDCpref \
1659	-variable entryvar(pref) ] -column 2 -row 4
1660	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1661	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1662	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1663	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1664	} elseif {$expgui(globalmode) == 3} {
1665	#------------------------
1666	# Global alpha 1,2 xray \|
1667	#------------------------
1668	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1669	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1670	-column 3 -row 1
1671	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1672	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1673	-column 4 -row 1
1674	#
1675	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1676	-column 1 -row 3 -sticky w
1677	grid [ checkbutton $expgui(diffBox).rfDCratref \
1678	-variable entryvar(ratref) ] -column 2 -row 3
1679	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1680	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1681	-column 3 -row 3
1682	#
1683	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1684	-column 1 -row 3 -sticky w
1685	grid [ checkbutton $expgui(diffBox).rfDCzref \
1686	-variable entryvar(zref) ] -column 2 -row 3
1687	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1688	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1689	#
1690	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1691	-column 1 -row 4 -sticky w
1692	grid [ checkbutton $expgui(diffBox).rfDCpref \
1693	-variable entryvar(pref) ] -column 2 -row 4
1694	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1695	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1696	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1697	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1698	} elseif {$expgui(globalmode) == 5} {
1699	#-----------------
1700	# Global ED xray \|
1701	#-----------------
1702	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1703	-column 1 -row 1
1704	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1705	-column 2 -row 1
1706	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1707	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1708	-column 3 -row 1
1709	#
1710	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1711	-column 1 -row 4 -sticky w
1712	grid [ checkbutton $expgui(diffBox).rfDCpref \
1713	-variable entryvar(pref) ] -column 2 -row 4
1714	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1715	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1716	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1717	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1718	}
1719	if {$expgui(globalmode) == 0} {
1720	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1721	-columnspan 2 -sticky e
1722	} else {
1723	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1724	-columnspan 2 -sticky e
1725	}
1726	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1727	-column 1 -row 1
1728	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1729	grid $expgui(diffBox).d.om -column 2 -row 1
1730	grid columnconfigure $expgui(diffBox) 9 -weight 1
1731	grid columnconfigure $expgui(diffBox) 0 -weight 1
1732	update idletasks
1733	# enable traces on entryvar now
1734	set entrycmd(trace) 1
1735	}
1736
1737	# this gets the phase flags as set in the expgui(pflag*) elements
1738	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1739	# accordingly using SetPhaseFlag
1740	proc GetPhaseFlags {hist} {
1741	global expmap expgui
1742	set plist {}
1743	foreach p $expmap(phaselist) {
1744	if {$expgui(pflag$p)} {lappend plist $p}
1745	}
1746	SetPhaseFlag $hist $plist
1747	incr expgui(changed)
1748	mapexp
1749	}
1750
1751	#-----------------------------------------------------------------------
1752	# populate the Scaling page
1753	#-----------------------------------------------------------------------
1754	proc DisplayFrac {} {
1755	global expgui entrycmd entryvar entrybox expmap
1756
1757	# trap if more than one histogram is selected unless global mode
1758	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1759	set expgui(curhist) [lindex $expgui(curhist) 0]
1760	}
1761
1762	# display the selected histograms
1763	$expgui(fracFrame).hs.lbox selection clear 0 end
1764	foreach h $expgui(curhist) {
1765	$expgui(fracFrame).hs.lbox selection set $h
1766	}
1767
1768	# disable traces on entryvar
1769	set entrycmd(trace) 0
1770
1771	# get histogram list
1772	set histlist {}
1773	foreach item $expgui(curhist) {
1774	lappend histlist [lindex $expmap(powderlist) $item]
1775	}
1776
1777	# must have at least one histogram selected here
1778	if {[llength $histlist] == 0} {
1779	foreach var {scale sref sdamp} {
1780	set entrycmd($var) ""
1781	set entryvar($var) ""
1782	}
1783	set parm [grid info $expgui(scaleBox).but1]
1784	if {$parm != ""} {
1785	grid forget $expgui(scaleBox).but1
1786	eval grid $expgui(scaleBox).ent1 $parm
1787	}
1788	# destroy the contents of the frame
1789	set phaseFractf1 $expgui(FracBox).f
1790	eval destroy [winfo children $phaseFractf1]
1791	# reenable traces on entryvar
1792	set entrycmd(trace) 1
1793	return
1794	}
1795
1796	#--------------
1797	# Scale factor
1798	#--------------
1799	if {$expgui(globalmode) != 0} {
1800	foreach var {scale sref sdamp} {
1801	set entrycmd($var) "histinfo [list $histlist] $var"
1802	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1803	}
1804	# reset scale to black
1805	catch {$entrybox(scale) config -fg black}
1806	set parm [grid info $expgui(scaleBox).ent1]
1807	if {$parm != ""} {
1808	grid forget $expgui(scaleBox).ent1
1809	eval grid $expgui(scaleBox).but1 $parm
1810	}
1811	} else {
1812	set hist $histlist
1813	foreach var {scale sref sdamp} {
1814	set entrycmd($var) "histinfo $hist $var"
1815	set entryvar($var) [eval $entrycmd($var)]
1816	}
1817	# reset scale to black
1818	catch {$entrybox(scale) config -fg black}
1819	set parm [grid info $expgui(scaleBox).but1]
1820	if {$parm != ""} {
1821	grid forget $expgui(scaleBox).but1
1822	eval grid $expgui(scaleBox).ent1 $parm
1823	}
1824	}
1825
1826	#----------------
1827	# Phase Fractions
1828	#----------------
1829	set phaseFractf1 $expgui(FracBox).f
1830	# destroy the contents of the frame
1831	eval destroy [winfo children $phaseFractf1]
1832	if {$expgui(globalmode) != 0} {
1833	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1834	} else {
1835	set txt "Phase Fractions"
1836	}
1837	if $expgui(haveBW) {
1838	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1839	} else {
1840	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1841	-column 0 -row 0 -sticky news
1842	}
1843	# Create the frame inside the canvas, One frame for each Phase.
1844	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1845	foreach hist $histlist {
1846	foreach i $expmap(phaselist_$hist) {
1847	lappend phasehistlist($i) $hist
1848	}
1849	}
1850	foreach i {1 2 3 4 5 6 7 8 9} {
1851	if {[llength $phasehistlist($i)] == 0} continue
1852	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1853	grid $framePF -column 0 -row $i -sticky ew
1854	# Label Heading for each phase.
1855	if {$expgui(globalmode) != 0} {
1856	grid [label $framePF.l1 \
1857	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1858	-column 0 -row 0 -sticky nws
1859	grid [button $framePF.but1 -text "Set Globally" \
1860	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1861	[list $phasehistlist($i)] $i" \
1862	] -column 1 -row 0
1863	} else {
1864	grid [label $framePF.l1 -text "Phase $i"] \
1865	-column 0 -row 0 -sticky nws
1866	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1867	-column 1 -row 0
1868	set entrybox(frac$i) $framePF.ent
1869	}
1870	set entrycmd(frac$i) "hapinfo $hist $i frac"
1871	set entryvar(frac$i) [hapinfo $hist $i frac]
1872	grid [label $framePF.l2 -text " Refine"] \
1873	-column 2 -row 0 -sticky nws
1874	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1875	-column 3 -row 0 -sticky nws
1876	set entrycmd(frref$i) "hapinfo $hist $i frref"
1877	set entryvar(frref$i) [hapinfo $hist $i frref]
1878	grid [label $framePF.l3 -text " Damping"] \
1879	-column 4 -row 0 -sticky nws
1880	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1881	0 1 2 3 4 5 6 7 8 9
1882	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1883	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1884	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1885	}
1886	# resize the scroll window to match the actual
1887	update idletasks
1888	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1889	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1890	update idletasks
1891	# enable traces on entryvar now
1892	set entrycmd(trace) 1
1893	}
1894
1895	#-----------------------------------------------------------------------
1896	# display the profile page
1897	#-----------------------------------------------------------------------
1898	proc DisplayProfile {} {
1899	global expgui entrycmd entryvar entrybox expmap
1900
1901	# trap if more than one histogram is selected unless global mode
1902	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1903	set expgui(curhist) [lindex $expgui(curhist) 0]
1904	}
1905	# display the selected histograms
1906	$expgui(profFrame).hs.lbox selection clear 0 end
1907	foreach h $expgui(curhist) {
1908	$expgui(profFrame).hs.lbox selection set $h
1909	}
1910
1911	# destroy the contents of the frame
1912	eval destroy [winfo children $expgui(ProfileBox).f]
1913	# since the next steps can take a while, do a screen update
1914	update idletasks
1915
1916	if {$expgui(globalmode) == 0} {
1917	# must have at least one histogram selected here
1918	if {[llength $expgui(curhist)] == 0} return
1919	# disable traces on entryvar for right now
1920	set entrycmd(trace) 0
1921	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1922	# no defined histograms?
1923	if {$hist == ""} return
1924	# Create one frame for each Phase.
1925	set ind -1
1926	set htype [string range $expmap(htype_$hist) 2 2]
1927	foreach i $expmap(phaselist_$hist) {
1928	incr ind
1929	# Label Heading for each phase.
1930	set ptype [string trim [hapinfo $hist $i proftype]]
1931	if {$expgui(haveBW)} {
1932	grid [TitleFrame $expgui(ProfileBox).f.$i \
1933	-text "Hist $hist -- Phase $i (type $ptype)" \
1934	-relief groove -bd 2] \
1935	-column 0 -row $ind -sticky ew
1936	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1937	grid [frame $ProfileFrame.1] \
1938	-column 0 -row 0 -columnspan 10
1939	pack [label $ProfileFrame.1.l \
1940	-text Damping]\
1941	-side left
1942	} else {
1943	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1944	-column 0 -row $ind -sticky ew
1945	set ProfileFrame $expgui(ProfileBox).f.$i
1946	grid [frame $ProfileFrame.1] \
1947	-column 0 -row 0 -columnspan 10 -sticky ew
1948	pack [label $ProfileFrame.1.l \
1949	-text "Phase $i (type $ptype) Damping"]\
1950	-side left
1951	}
1952	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1953	0 1 2 3 4 5 6 7 8 9
1954	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1955	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1956	pack $ProfileFrame.1.tkOptDamp -side left
1957	pack [label $ProfileFrame.1.l1 \
1958	-text " Peak cutoff"]\
1959	-side left
1960	pack [entry $ProfileFrame.1.e1 \
1961	-width 10 -textvariable entryvar(pcut_$i)]\
1962	-side left
1963	set entrybox(pcut_$i) $ProfileFrame.1.e1
1964	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1965	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1966
1967	pack [button $ProfileFrame.1.b1 \
1968	-text "Change Type" \
1969	-command "ChangeProfileType $hist $i"]\
1970	-side left
1971
1972	set col -1
1973	set row 1
1974	set nterms [hapinfo $hist $i profterms]
1975	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1976	for { set num 1 } { $num <= $nterms } { incr num } {
1977	set term {}
1978	catch {set term [lindex $lbls $num]}
1979	if {$term == ""} {set term $num}
1980	incr col
1981	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1982	-row $row -column $col
1983	incr col
1984	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1985	-variable entryvar(pref${num}_$i)] -row $row -column $col
1986	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1987	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1988	incr col
1989	grid [entry $ProfileFrame.ent${num}_${i} \
1990	-textvariable entryvar(pterm${num}_$i)\
1991	-width 12] -row $row -column $col
1992	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
1993	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1994	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1995	if {$col > 6} {set col -1; incr row}
1996	}
1997	}
1998	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1999	} else {
2000	# get histogram list
2001	set histlist {}
2002	foreach item $expgui(curhist) {
2003	lappend histlist [lindex $expmap(powderlist) $item]
2004	}
2005	# must have at least one histogram selected here
2006	if {[llength $histlist] == 0} return
2007	# disable traces on entryvar for right now
2008	set entrycmd(trace) 0
2009	# loop through histograms & phases, set up an array by phase & profile type
2010	catch {unset prtyparray histarray phasearray}
2011	foreach hist $histlist {
2012	foreach phase $expmap(phaselist_$hist) {
2013	set prtyp [string trim [hapinfo $hist $phase proftype]]
2014	set key ${prtyp}_$phase
2015	lappend prtyparray($key) $hist
2016	lappend histarray($key) $hist
2017	lappend phasearray($key) $phase
2018	}
2019	}
2020
2021	set ptype ""
2022	set i -1
2023	# loop over all combined phases and profile types, sorted 1st by profile number
2024	foreach key [lsort [array names prtyparray]] {
2025	# split key
2026	scan $key %d_%d prftyp p
2027
2028	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
2029	set ptype $prftyp
2030	set curhistlist $histarray($key)
2031	set curphaslist $phasearray($key)
2032
2033	set hist1 [lindex $curhistlist 0]
2034	set phase1 [lindex $curphaslist 0]
2035	set nterms [hapinfo $hist1 $phase1 profterms]
2036	set htype [string range $expmap(htype_$hist1) 2 2]
2037	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
2038	# Create a frame for this type
2039	incr i
2040	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
2041	if {$expgui(haveBW)} {
2042	grid [TitleFrame $expgui(ProfileBox).f.$i \
2043	-text "(type $ptype)" \
2044	-relief groove -bd 2] \
2045	-column 0 -row $i -sticky ew
2046	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2047	grid [frame $ProfileFrame.0] \
2048	-column 0 -row 0 -columnspan 20 -sticky ew
2049	} else {
2050	grid [frame $expgui(ProfileBox).f.$i \
2051	-relief groove -bd 4] \
2052	-column 0 -row $i -sticky ew
2053	set ProfileFrame $expgui(ProfileBox).f.$i
2054	grid [frame $ProfileFrame.0] \
2055	-column 0 -row 0 -columnspan 20 -sticky ew
2056	grid [label $ProfileFrame.0.0 \
2057	-text "Profile Type $ptype "] -row 0 -column 0
2058	}
2059	grid [label $ProfileFrame.0.1 \
2060	-anchor w] -row 0 -column 1
2061	grid [frame $ProfileFrame.1] \
2062	-column 0 -row 1 -columnspan 20 -sticky ew
2063	grid [label $ProfileFrame.1.2 \
2064	-text "Damping"] -row 0 -column 2
2065	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2066	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2067	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2068	grid [button $ProfileFrame.1.edit \
2069	-text "Global Edit"] -row 0 -column 4 -sticky w
2070	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2071	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2072	-row 0 -column 5 -sticky w
2073	set col -1
2074	set row 2
2075	for { set num 1 } { $num <= $nterms } { incr num } {
2076	set term {}
2077	catch {set term [lindex $lbls $num]}
2078	if {$term == ""} {set term $num}
2079	incr col
2080	grid [label $ProfileFrame.l${num}_${i} \
2081	-text "$term"] -row $row -column $col
2082	incr col
2083	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2084	-variable entryvar(pref${num}_$i)] \
2085	-row $row -column $col
2086	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2087	if {$col > 10} {set col -1; incr row}
2088	}
2089	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2090	} else {
2091	# add to the current entry
2092	eval lappend curhistlist $histarray($key)
2093	eval lappend curphaslist $phasearray($key)
2094	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2095	}
2096	$ProfileFrame.0.1 config -text $boxtitle
2097	$ProfileFrame.1.edit config -command "\
2098	EditProfile \"\n$boxtitle\" \
2099	[list $curhistlist] \
2100	[list $curphaslist]"
2101	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2102	[list $curhistlist] [list $curphaslist]"
2103	set entrycmd(pdamp_$i) "hapinfo \
2104	[list $curhistlist] \
2105	[list $curphaslist] pdamp"
2106	for { set num 1 } { $num <= $nterms } { incr num } {
2107	set entrycmd(pref${num}_$i) "hapinfo \
2108	[list $curhistlist] \
2109	[list $curphaslist] pref$num"
2110	}
2111	}
2112	}
2113
2114	# resize the scroll window to match the actual
2115	update idletasks
2116	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2117	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2118	update idletasks
2119	ResizeNotebook
2120	# enable traces on entryvar now
2121	set entrycmd(trace) 1
2122	}
2123
2124	# process the bit settings in the print options
2125	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2126	proc printsetting {bitnum "action get" "value {}"} {
2127	global entryvar expgui
2128	if {$action == "get"} {
2129	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2130	} elseif $value {
2131	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2132	} else {
2133	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2134	}
2135	expinfo print set $newval
2136	set expgui(printopt) "Print Options ([expinfo print])"
2137	}
2138
2139	# need to respond to mouse presses -- control variable associated with extract Fobs
2140	# and set the LeBail extraction flags
2141	proc SetupExtractHist {} {
2142	global expgui entrycmd entryvar expmap
2143
2144	# display the selected histograms
2145	$expgui(lsFrame).hs.lbox selection clear 0 end
2146	foreach h $expgui(curhist) {
2147	$expgui(lsFrame).hs.lbox selection set $h
2148	}
2149
2150	# get histogram list
2151	set histlist {}
2152	foreach item $expgui(curhist) {
2153	set hist [lindex $expmap(powderlist) $item]
2154	if {$hist != ""} {lappend histlist $hist}
2155	}
2156	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2157	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2158	foreach phase {1 2 3 4 5 6 7 8 9} {
2159	$expgui(FobsExtractFrame).l$phase config -fg grey
2160	set expgui(Fextract$phase) {}
2161	foreach item $expgui(ExtractSettingsRadiobuttons) {
2162	${item}$phase config -state disabled -bd 1
2163	}
2164	}
2165	} elseif {[llength $histlist] == 1} {
2166	# disable traces on entryvar
2167	set entrycmd(trace) 0
2168	set entryvar(fobsextract) [histinfo $histlist foextract]
2169	foreach phase {1 2 3 4 5 6 7 8 9} {
2170	# is the phase present?
2171	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2172	$expgui(FobsExtractFrame).l$phase config -fg grey
2173	set expgui(Fextract$phase) {}
2174	foreach item $expgui(ExtractSettingsRadiobuttons) {
2175	${item}$phase config -state disabled -bd 1
2176	}
2177	} else {
2178	$expgui(FobsExtractFrame).l$phase config -fg black
2179	foreach item $expgui(ExtractSettingsRadiobuttons) {
2180	${item}$phase config -state normal -bd 2
2181	}
2182	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2183	}
2184	}
2185	} elseif {[llength $histlist] > 1} {
2186	# disable traces on entryvar
2187	set entrycmd(trace) 0
2188	# multiple histograms need phases in any histogram
2189	foreach phase {1 2 3 4 5 6 7 8 9} {
2190	set gotphase($phase) 0
2191	}
2192	foreach hist $histlist {
2193	foreach phase $expmap(phaselist_$hist) {
2194	set gotphase($phase) 1
2195	}
2196	}
2197	foreach phase {1 2 3 4 5 6 7 8 9} {
2198	set expgui(Fextract$phase) {}
2199	if $gotphase($phase) {
2200	$expgui(FobsExtractFrame).l$phase config -fg black
2201	foreach item $expgui(ExtractSettingsRadiobuttons) {
2202	${item}$phase config -state normal -bd 2
2203	}
2204	} else {
2205	$expgui(FobsExtractFrame).l$phase config -fg grey
2206	foreach item $expgui(ExtractSettingsRadiobuttons) {
2207	${item}$phase config -state disabled -bd 1
2208	}
2209	}
2210	}
2211	}
2212	# reenable traces
2213	set entrycmd(trace) 1
2214	}
2215	# respond to a change in the fobs extraction method for a phase
2216	# force the main extraction flag on, if fobs extraction is selected for any phase
2217	proc HistExtractSet {phase} {
2218	global expgui entryvar expmap
2219	foreach item $expgui(curhist) {
2220	lappend histlist [lindex $expmap(powderlist) $item]
2221	}
2222	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2223	incr expgui(changed)
2224	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2225	}
2226	#---------------------------- Global Edit Functions ------------------------
2227	proc editbackground {} {
2228	global expgui expmap entrycmd
2229	set histlist {}
2230	foreach n $expgui(curhist) {
2231	lappend histlist [lindex $expmap(powderlist) $n]
2232	}
2233	if {[llength $histlist] == 0} return
2234
2235	set w .back
2236	catch {destroy $w}
2237	toplevel $w -bg beige
2238	if {$expgui(globalmode) != 0} {
2239	wm title $w "Global Edit Background"
2240	} else {
2241	wm title $w "Edit Background"
2242	}
2243
2244	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2245	] -side top -expand yes -fill both
2246	if {[llength $histlist] > 1} {
2247	grid [label $w.0.a \
2248	-text "Setting background terms for histograms [CompressList $histlist]" \
2249	-bg beige] -row 0 -column 0 -columnspan 10
2250	} else {
2251	grid [label $w.0.a \
2252	-text "Setting background terms for histogram $histlist" \
2253	-bg beige] -row 0 -column 0 -columnspan 10
2254	}
2255	set hist [lindex $histlist 0]
2256	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2257
2258	# disable traces on expgui(backtype) & expgui(backterms) now
2259	set entrycmd(trace) 0
2260
2261	# number of terms
2262	set expgui(backtype) [histinfo $hist backtype]
2263	set expgui(orig_backtype) $expgui(backtype)
2264	set expgui(prev_backtype) $expgui(backtype)
2265	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2266	$typemenu delete 0 end
2267	foreach item {
2268	"1 - Shifted Chebyshev"
2269	"2 - Cosine Fourier series"
2270	"3 - Radial distribution peaks"
2271	"4 - Power series in Q**2n/n!"
2272	"5 - Power series in n!/Q**2n"
2273	"6 - Power series in Q2n/n! and n!/Q2n"
2274	"7 - Linear interpolation function"
2275	"8 - Reciprocal interpolation function"
2276	} {
2277	set val [lindex $item 0]
2278	$typemenu insert end radiobutton -variable expgui(backtype) \
2279	-label $item -value $val
2280	}
2281
2282	grid $w.0.type -row 1 -column 1
2283	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2284
2285	# function type
2286	set expgui(backterms) [histinfo $hist backterms]
2287	set expgui(orig_backterms) $expgui(backterms)
2288	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2289	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2290	grid $w.0.terms -row 1 -column 3
2291	# enable traces on expgui(backtype) & expgui(backterms) now
2292	set entrycmd(trace) 1
2293
2294	#set background terms
2295	for {set num 1 } { $num <= 36 } { incr num } {
2296	set var "bterm$num"
2297	set expgui($var) {}
2298	set expgui(orig_$var) {}
2299	}
2300	if {[llength $histlist] == 1} {
2301	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2302	set var "bterm$num"
2303	set expgui($var) [histinfo $histlist $var]
2304	set expgui(orig_$var) $expgui($var)
2305	}
2306	}
2307
2308	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2309	-expand yes -fill both
2310	ShowBackTerms $w.1
2311
2312	set expgui(temp) {}
2313	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2314	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2315	grid [button $w.b.3 -text Quit \
2316	-command "QuitEditBackground $w"] -row 0 -column 2
2317	grid [button $w.b.help -text Help -bg yellow \
2318	-command "MakeWWWHelp expgui3.html EditBackground"] \
2319	-row 0 -column 4
2320	grid columnconfig $w.b 0 -weight 1
2321	grid columnconfig $w.b 3 -weight 1
2322	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2323	bind $w <Return> "destroy $w"
2324
2325	# force the window to stay on top
2326	putontop $w
2327
2328	focus $w.b.2
2329	tkwait window $w
2330	afterputontop
2331
2332	if {$expgui(temp) != ""} return
2333
2334	if {$expgui(orig_backtype) != $expgui(backtype)} {
2335	histinfo $histlist backtype set $expgui(backtype)
2336	incr expgui(changed)
2337	}
2338	if {$expgui(orig_backterms) != $expgui(backterms)} {
2339	histinfo $histlist backterms set $expgui(backterms)
2340	incr expgui(changed)
2341	}
2342	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2343	set var "bterm$num"
2344	if {$expgui(orig_$var) != $expgui($var)} {
2345	histinfo $histlist $var set $expgui($var)
2346	incr expgui(changed)
2347	}
2348	}
2349
2350	if {$expgui(globalmode) == 0} {
2351	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2352	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2353	}
2354	}
2355
2356	trace variable expgui(backterms) w ChangeBackTerms
2357	proc ChangeBackTerms {a b c} {
2358	global entrycmd expgui
2359	if !$entrycmd(trace) return
2360	ShowBackTerms .back.1
2361	}
2362
2363	trace variable expgui(backtype) w ChangeBackType
2364	# reset the terms to 1, 0, 0... when the number of terms increase
2365	proc ChangeBackType {a b c} {
2366	global entrycmd expgui
2367	if !$entrycmd(trace) return
2368	if {$expgui(prev_backtype) == $expgui(backtype)} return
2369	set expgui(prev_backtype) $expgui(backtype)
2370	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2371	set var "bterm$num"
2372	if {$num == 1} {
2373	set expgui($var) 1.0
2374	} else {
2375	set expgui($var) 0.0
2376	}
2377	}
2378	}
2379
2380	proc ShowBackTerms {w } {
2381	global expgui expmap
2382	# destroy the contents of the frame
2383	eval destroy [winfo children $w]
2384	set histlist {}
2385	foreach n $expgui(curhist) {
2386	lappend histlist [lindex $expmap(powderlist) $n]
2387	}
2388	set widgetsPerRow 4
2389	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2390	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2391	set var "bterm$num"
2392	grid [label $w.l$num -text $num -bg beige] \
2393	-row $rows -column $cols -sticky nes
2394	incr cols
2395	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2396	] -row $rows -column $cols -sticky news
2397	incr cols
2398	}
2399	}
2400	}
2401
2402	proc QuitEditBackground {w} {
2403	global expgui
2404	# lets find out if anything changed
2405	set changed 0
2406	if {$expgui(orig_backtype) != $expgui(backtype)} {
2407	set changed 1
2408	}
2409	if {$expgui(orig_backterms) != $expgui(backterms)} {
2410	set changed 1
2411	}
2412	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2413	set var "bterm$num"
2414	if {$expgui(orig_$var) != $expgui($var)} {
2415	set changed 1
2416	break
2417	}
2418	}
2419	if $changed {
2420	set decision [tk_dialog .changes "Abandon Changes" \
2421	"You have made changes to the background. Ok to abandon changes?" \
2422	warning 0 Abandon Keep]
2423	if !$decision {
2424	set expgui(temp) "Quit"
2425	destroy $w
2426	}
2427	} else {
2428	set expgui(temp) "Quit"
2429	destroy $w
2430	}
2431	}
2432
2433	# this probably needs work
2434	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2435	global expgui expmap
2436	set w .global
2437	catch {destroy $w}
2438	toplevel $w -bg beige
2439	wm title $w "Edit Global Parameter"
2440	set expgui(temp) {}
2441	if {[llength $histlist] == 0} {
2442	set hist {}
2443	foreach n $expgui(curhist) {
2444	lappend hist [lindex $expmap(powderlist) $n]
2445	}
2446	} else {
2447	set hist $histlist
2448	}
2449	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2450	-side top -expand yes -fill both
2451	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2452	-bg beige] \
2453	-row 0 -column 0 -columnspan 10
2454	grid [entry $w.0.b -textvariable expgui(temp)] \
2455	-row 1 -column 0
2456
2457
2458	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2459	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2460	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2461	pack [button $w.b.help -text Help -bg yellow \
2462	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2463	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2464	bind $w <Return> "destroy $w"
2465
2466	# force the window to stay on top
2467	putontop $w
2468	focus $w.b.2
2469	tkwait window $w
2470	afterputontop
2471
2472	if {$expgui(temp) != ""} {
2473	foreach h $hist {
2474	if {$cmd == "histinfo"} {
2475	histinfo $h $variable set $expgui(temp)
2476	incr expgui(changed)
2477	if $expgui(debug) {
2478	puts "histinfo $h $variable set $expgui(temp)"
2479	}
2480	} elseif {$cmd == "hapinfo"} {
2481	hapinfo $h $phase $variable set $expgui(temp)
2482	incr expgui(changed)
2483	if $expgui(debug) {
2484	puts "hapinfo $phase $h $variable set $expgui(temp)"
2485	}
2486	} else {
2487	error "$cmd unimplemented"
2488	}
2489	}
2490	}
2491	}
2492
2493	proc EditProfile {title histlist phaselist} {
2494	global expgui expmap entrycmd
2495	set w .back
2496	catch {destroy $w}
2497	toplevel $w -bg beige
2498	wm title $w "Global Edit Profile"
2499	set hist [lindex $histlist 0]
2500	set phase [lindex $phaselist 0]
2501	set ptype [string trim [hapinfo $hist $phase proftype]]
2502	set htype [string range $expmap(htype_$hist) 2 2]
2503	set nterms [hapinfo $hist $phase profterms]
2504
2505	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2506	] -side top -expand yes -fill both
2507	grid [label $w.0.a \
2508	-text "Setting profile terms: $title" \
2509	-bg beige] -row 0 -column 0 -columnspan 10
2510	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2511	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2512	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2513	set entrylist {}
2514	lappend entrylist "pcut $w.0.d"
2515
2516	set col -1
2517	set row 1
2518	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2519	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2520	] -side top -expand yes -fill both
2521	for { set num 1 } { $num <= $nterms } { incr num } {
2522	set term {}
2523	catch {set term [lindex $lbls $num]}
2524	if {$term == ""} {set term $num}
2525	incr col
2526	grid [label $w.1.l${num} -text "$term" -bg beige] \
2527	-row $row -column $col
2528	incr col
2529	grid [entry $w.1.ent${num} \
2530	-width 14] -row $row -column $col
2531	lappend entrylist "pterm$num $w.1.ent${num}"
2532	if {$col > 6} {set col -1; incr row}
2533	}
2534	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2535	grid [button $w.b.2 -text Set \
2536	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2537	[list $histlist] $w"] -row 0 -column 1
2538	grid [button $w.b.3 -text Quit \
2539	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2540	grid [button $w.b.help -text Help -bg yellow \
2541	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2542	-row 0 -column 4
2543	grid columnconfig $w.b 0 -weight 1
2544	grid columnconfig $w.b 3 -weight 1
2545	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2546	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2547
2548	# force the window to stay on top
2549	putontop $w
2550	focus $w.b.2
2551	tkwait window $w
2552	afterputontop
2553	}
2554
2555	proc SetEditProfile {entrylist phaselist histlist w} {
2556	global expgui
2557	foreach item $entrylist {
2558	set value [ [lindex $item 1] get ]
2559	if {$value != ""} {
2560	hapinfo $histlist $phaselist [lindex $item 0] set $value
2561	incr expgui(changed)
2562	if $expgui(debug) {
2563	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2564	}
2565	}
2566	}
2567	destroy $w
2568	}
2569
2570	proc QuitEditProfile {w entrylist} {
2571	global expgui
2572	# lets find out if anything changed
2573	set changed 0
2574	foreach item $entrylist {
2575	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2576	}
2577	if $changed {
2578	set decision [tk_dialog .changes "Abandon Changes" \
2579	"You have made changes to the Profile. Ok to abandon changes?" \
2580	warning 0 Abandon Keep]
2581	if !$decision {destroy $w}
2582	} else {
2583	destroy $w
2584	}
2585	}
2586
2587	##############################################################################
2588	## #############################################
2589	## END OF THE PROCEDURES SECTION #############################################
2590	## #############################################
2591	##############################################################################
2592
2593	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2594	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2595	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2596	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2597	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2598	# A frame for menu items at top of display
2599	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2600	# Pack the menu frame.
2601	pack $expgui(fm) -fill x -side top -anchor n
2602
2603	# create a button bar
2604	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2605
2606	# Creating the notebook and panes
2607
2608	# create an array element describing each notebook page (used with BW only)
2609	# element 0 -- pane name
2610	# 1 -- Label on frame
2611	# 2 -- initialization command
2612	# 3 -- update command
2613	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2614	# are selected in global mode, 0 otherwise
2615	# 5 -- Web page for pane
2616	# 6 -- name anchor on Web page for pane
2617	set expgui(notebookpagelist) {
2618	{lsFrame "LS Controls" \
2619	"" \
2620	SetupExtractHist \
2621	0 expgui1.html ""}
2622	{phaseFrame Phase \
2623	"" \
2624	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2625	0 expgui2.html ""}
2626	{histFrame Histogram \
2627	MakeHistPane \
2628	DisplayHistogram \
2629	1 expgui3.html ""}
2630	{fracFrame Scaling \
2631	MakeScalingPane \
2632	DisplayFrac \
2633	0 expgui4.html ""}
2634	{profFrame Profile \
2635	MakeProfilePane \
2636	DisplayProfile \
2637	1 expgui5.html ""}
2638	{consFrame Constraints \
2639	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2640	DisplayConstraintsPane \
2641	0 expgui6.html ""}
2642	{orientFrame "MD Pref Orient" \
2643	MakeOrientPane \
2644	DisplayOrient \
2645	0 expgui7.html MD}
2646	{odfFrame "SH Pref Orient" \
2647	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2648	DisplayODFPane \
2649	0 expgui7.html ODF}
2650	}
2651
2652	if $expgui(haveBW) {
2653	pack [NoteBook .n -bd 2] -expand yes -fill both
2654	foreach item $expgui(notebookpagelist) {
2655	set frm [lindex $item 0]
2656	set expgui($frm) [\
2657	.n insert end $frm -text [lindex $item 1] \
2658	-createcmd [lindex $item 2] \
2659	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2660
2661	# at this time expgui(frameactionlist) is generated
2662	# from expgui(notebookpagelist), but in the future it might
2663	# make sense to use expgui(notebookpagelist) directly
2664	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2665
2666	# panes to disable in global "all" mode
2667	if {[lindex $item 4]} {
2668	lappend expgui(GlobalModeAllDisable) \
2669	"$frm \{.n itemconfigure $frm\}"
2670	}
2671	}
2672	} else {
2673	Notebook:create .n \
2674	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2675	pack .n -anchor w -fill both -expand yes
2676	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2677	orientFrame} \
2678	page {"LS Controls" Phase Histogram Scaling Profile \
2679	"MD Pref Orient"} {
2680	set expgui($item) [Notebook:frame .n $item]
2681	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2682	}
2683	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2684	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2685	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2686	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2687	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2688	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2689	set expgui(GlobalModeAllDisable) {}
2690	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2691	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2692	}
2693
2694	# this is used to bring up the selected frame
2695	proc RaisePage {nextpage} {
2696	global expgui
2697	if $expgui(haveBW) {
2698	.n see $nextpage
2699	.n raise $nextpage
2700	set expgui(pagenow) $nextpage
2701	} else {
2702	Notebook:raise .n $nextpage
2703	InitPage $nextpage
2704	}
2705	}
2706	# this is only called when BWidget is not in use
2707	proc InitPage {nextpage} {
2708	global expgui
2709	set expgui(pagenow) $nextpage
2710	UpdateCurrentPage
2711	}
2712	# resize the notebook to fit all the tabs and the largest page
2713	proc ResizeNotebook {} {
2714	global expgui
2715	if {$expgui(haveBW)} {
2716	.n compute_size
2717	} else {
2718	Notebook:resize .n
2719	}
2720	}
2721
2722	#----------------------------------------------------------------------------
2723	proc MakePhasePane {} {
2724	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2725	global expgui entryvar entrybox entrycmd
2726	frame $expgui(phaseFrame).top
2727	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2728	# This is a big frame in the Phase notebook pane to hold atomic data.
2729	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2730	-relief raised -borderwidth 4]
2731	# This is a frame just below the big frame: for edits
2732	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2733	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2734
2735	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2736	grid $frameLatt -sticky news -row 2 -column 0
2737	grid $fbig -sticky news -row 3 -column 0
2738	# give extra space to the atoms box
2739	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2740	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2741	grid $frame3 -sticky news -row 4 -column 0
2742	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2743	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2744	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2745	# this is where the buttons will go
2746	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2747
2748	grid [label $expgui(phaseFrame).top.lA -text title: \
2749	-fg blue ] -column 1 -row 0 -sticky e
2750	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2751	-fg blue -width 45] -column 2 -row 0 -sticky e
2752	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2753	# ------------- Lattice Parameter Box ------------------
2754	set row 0
2755	foreach col {2 4 6} var {a b c} lbl {a b c} {
2756	grid [label $frameLatt.l$var -text $lbl] \
2757	-column $col -row $row -padx 5 -sticky e
2758	incr col
2759	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2760	-column $col -row $row -padx 5
2761	set entrybox($var) $frameLatt.e$var
2762	}
2763	incr row
2764	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2765	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2766	-column $col -row $row -padx 5 -sticky e
2767	incr col
2768	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2769	-column $col -row $row -padx 5
2770	set entrybox($var) $frameLatt.e$var
2771	}
2772
2773	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2774	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2775	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2776	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2777	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2778	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2779	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2780	-column 1 -row 0 -rowspan 2
2781	if [file executable $expgui(exptool)] {
2782	grid [button $expgui(phaseFrame).frameLatt.newp \
2783	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
2784	] -column 0 -row 0 -rowspan 2 -sticky w
2785	}
2786	grid columnconfig $frameLatt 1 -weight 1
2787	grid columnconfig $frameLatt 0 -weight 1
2788	#-------------- Begin Atom Coordinates Box ------------------------------
2789	grid [listbox $fbig.title -height 1 -relief flat \
2790	-exportselection 0 -bg lightgrey -fg black \
2791	-selectforeground black -selectbackground lightgrey] \
2792	-row 0 -column 0 -sticky ew
2793	set expgui(atomtitle) $fbig.title
2794	bind $expgui(atomtitle) <Button-1> {
2795	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2796	incr i
2797	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2798	DisplayAllAtoms
2799	}
2800	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2801
2802	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2803	grid [listbox $fbig.lbox -height 10 \
2804	-exportselection 0 \
2805	-xscrollcommand " $fbig.bscr set"\
2806	-yscrollcommand " $fbig.rscr set"\
2807	] -row 1 -column 0 -sticky news
2808	set expgui(atomlistbox) $fbig.lbox
2809	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2810	grid [scrollbar $fbig.bscr -orient horizontal \
2811	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2812	] -row 2 -column 0 -sticky ew
2813	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2814	] -row 1 -column 1 -sticky ns
2815	# give extra space to the atoms box
2816	grid columnconfigure $fbig 0 -weight 1
2817	grid rowconfigure $fbig 1 -weight 1
2818
2819	# BIND mouse in editbox
2820	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2821	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2822
2823	#-------------- End Atoms Section ---------------------------------
2824
2825	# --------------------------- Begin Edit Box ------------------------
2826	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2827	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2828	if [file executable $expgui(exptool)] {
2829	button $frame3.newa -text "Add New Atoms" \
2830	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2831	-command {MakeAddAtomsBox $expgui(curPhase)}
2832	grid $frame3.newa -column 11 -row 0
2833	}
2834	button [set expgui(atomxform) $frame3.xa] \
2835	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2836	-command {MakeXformAtomsBox $expgui(curPhase)}
2837	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2838
2839	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2840	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2841	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2842	grid [checkbutton $frame3.cf$col \
2843	-text $lbl -variable entryvar($var) \
2844	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2845	-activebackground $expgui(bkgcolor1)] \
2846	-column $col -row 1 -padx 4 -pady 3 -sticky w
2847	}
2848	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
2849	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2850
2851	set col 4
2852	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2853	grid [label $frame3.lom$num -text $lbl \
2854	-bg $expgui(bkgcolor1)] \
2855	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2856	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2857	$frame3.om$num config -highlightthickness 0
2858	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2859	}
2860	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2861	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2862
2863	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2864	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2865
2866	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2867	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2868	set expgui(atomlabels) $f3l1
2869
2870	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2871	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2872	set expgui(atomentry) $f3e1
2873
2874	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2875	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2876	lappend expgui(atomlabels) $f3l8
2877	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2878	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2879	lappend expgui(atomlabels) $f3l11
2880
2881	foreach var {x y z frac} col {3 4 5 7} {
2882	set entrybox($var) [entry $frame3.coords.e$var \
2883	-textvariable entryvar($var) -width 10]
2884	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2885	lappend expgui(atomentry) $entrybox($var)
2886	}
2887
2888
2889	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2890	grid $f3f31 -column 0 -row 7 -columnspan 12
2891	set expgui(anisolabels) {}
2892	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2893	lappend expgui(anisolabels) [\
2894	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2895	]
2896	}
2897	set expgui(anisoentry) {}
2898	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2899	lappend expgui(anisoentry) [\
2900	entry $f3f31.$i -textvariable entryvar($var) \
2901	-width 10]
2902	set entrybox($var) $f3f31.$i
2903	}
2904
2905	set col 0
2906	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2907	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2908	incr col
2909	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2910	incr col
2911	}
2912	# --------------------------- End Edit Box -------------------------
2913
2914	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2915	# resize in case the pane needs more space
2916	ResizeNotebook
2917	}
2918
2919	proc move2boxes {boxlist args} {
2920	foreach listbox $boxlist {
2921	eval $listbox xview $args
2922	}
2923	}
2924	#-----------------------------------------------------------------------------
2925	proc MakeHistPane {} {
2926	#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
2927	global expgui
2928
2929	grid columnconfigure $expgui(histFrame) 0 -weight 1
2930	grid rowconfigure $expgui(histFrame) 1 -weight 1
2931	grid rowconfigure $expgui(histFrame) 2 -weight 1
2932	grid rowconfigure $expgui(histFrame) 3 -weight 1
2933
2934	grid [frame $expgui(histFrame).hs] \
2935	-column 0 -row 0 -rowspan 10 -sticky nsew
2936	MakeHistBox $expgui(histFrame).hs
2937	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2938	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2939	DisplayHistogram
2940	}
2941	bind $expgui(histFrame).hs.lbox <Button-3> {
2942	if $expgui(globalmode) {
2943	$expgui(histFrame).hs.lbox selection set 0 end
2944	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2945	DisplayHistogram
2946	}
2947	}
2948
2949	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2950	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2951	if $expgui(haveBW) {
2952	foreach item {backBox diffBox} num {2 3} \
2953	title {Background "Diffractometer Constants"} {
2954	TitleFrame $expgui(histFrame).$item \
2955	-borderwidth 4 -side left -relief groove -text $title
2956	set expgui($item) [$expgui(histFrame).$item getframe]
2957	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2958	grid rowconfigure $expgui(histFrame) $num -minsize 100
2959	}
2960	} else {
2961	foreach item {backBox diffBox} num {1 2} \
2962	title {Background "Diffractometer Constants"} {
2963	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2964	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2965	set expgui($item) $expgui(histFrame).$item
2966	grid [label $expgui(histFrame).$item.title -text $title] \
2967	-row 0 -column 0 -columnspan 10 -sticky nw
2968	}
2969	}
2970	if [file executable $expgui(exptool)] {
2971	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2972	grid $expgui(histFrame).newh -column 1 -row 6
2973	}
2974
2975	# BACKGROUND information.
2976	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2977	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2978	grid [label $expgui(backBox).frm1.lBGType \
2979	-textvariable expgui(backtypelbl)] \
2980	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2981	grid [label $expgui(backBox).frm1.lBGTerms \
2982	-textvariable expgui(backtermlbl)] \
2983	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2984	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2985	-command editbackground] \
2986	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2987	grid [frame $expgui(backBox).frm2 ] \
2988	-row 1 -column 0 -columnspan 11 -sticky e
2989	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2990	-row 2 -column 1 -sticky news -padx 4 -pady 3
2991	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2992	-variable entryvar(bref) ] \
2993	-row 2 -column 2 -sticky news -padx 4 -pady 3
2994	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2995	-row 2 -column 3 -sticky w -padx 2 -pady 3
2996	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2997	grid $expgui(backBox).frm2.om \
2998	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2999	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3000	# insert the histograms & resize in case the pane needs more space
3001	sethistlist
3002	ResizeNotebook
3003	}
3004	###############################################################################
3005	proc MakeScalingPane {} {
3006	#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
3007	global expgui entryvar entrybox
3008
3009	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
3010	MakeHistBox $expgui(fracFrame).hs
3011	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
3012	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3013	DisplayFrac
3014	}
3015	bind $expgui(fracFrame).hs.lbox <Button-3> {
3016	if $expgui(globalmode) {
3017	$expgui(fracFrame).hs.lbox selection set 0 end
3018	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3019	DisplayFrac
3020	}
3021	}
3022
3023	pack [frame $expgui(fracFrame).f1] -fill both -expand true
3024	# Create a large canvas area containing a frame for each phase in the data set.
3025	# The canvas and vertical scrollbar are inside a frame called f1
3026	if $expgui(haveBW) {
3027	TitleFrame $expgui(fracFrame).f1.scaleBox \
3028	-borderwidth 4 -text "Scale Factor"
3029	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
3030	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3031	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
3032	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
3033	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3034	} else {
3035	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
3036	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3037	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
3038	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
3039	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3040	}
3041	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
3042	-row 1 -column 1 -sticky ew -padx 4 -pady 3
3043	set entrybox(scale) $expgui(scaleBox).ent1
3044
3045	button $expgui(scaleBox).but1 -text "Set Globally" \
3046	-command "editglobalparm histinfo scale {Scale Factor}"
3047
3048	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
3049	-row 1 -column 2 -sticky nws -padx 2 -pady 3
3050	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
3051	-row 1 -column 3 -sticky news -padx 4 -pady 3
3052	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3053	-row 1 -column 4 -sticky w -padx 2 -pady 3
3054	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3055	grid $expgui(scaleBox).om \
3056	-row 1 -column 5 -sticky news -padx 4 -pady 3
3057	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3058
3059	if $expgui(haveBW) {
3060	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3061	-text "Phase Fractions" -relief groove] \
3062	-sticky news -row 1 -column 0 -columnspan 2
3063	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3064	} else {
3065	set PhaseFractBox $expgui(fracFrame).f1
3066	}
3067	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3068	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3069
3070	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3071	-scrollregion {0 0 5000 500} \
3072	-yscrollcommand "$PhaseFractBox.yscroll set" \
3073	-width 500 -height 350 -bg lightgrey]] \
3074	-sticky news -row 1 -column 0
3075	grid [scrollbar $PhaseFractBox.yscroll \
3076	-command "$expgui(FracBox) yview" \
3077	-orient vertical] \
3078	-sticky ns -row 1 -column 1
3079	frame $expgui(FracBox).f -bd 0
3080	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3081
3082	# the rest of the page is created in DisplayFrac
3083
3084	# insert the histograms & resize in case the pane needs more space
3085	sethistlist
3086	ResizeNotebook
3087	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3088	}
3089	###############################################################################
3090	proc MakeProfilePane {} {
3091	global expgui
3092	# 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
3093	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
3094	MakeHistBox $expgui(profFrame).hs
3095	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3096	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3097	DisplayProfile
3098	}
3099	bind $expgui(profFrame).hs.lbox <Button-3> {
3100	if $expgui(globalmode) {
3101	$expgui(profFrame).hs.lbox selection set 0 end
3102	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3103	DisplayProfile
3104	}
3105	}
3106
3107	# Create a large canvas area containing a frame for each phase in the data set.
3108	# The canvas and vertical scrollbar are inside a frame called f1
3109	pack [frame $expgui(profFrame).f1] -fill both -expand true
3110	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3111	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3112	-sticky news -row 0 -column 0
3113	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3114	-sticky ns -row 0 -column 1
3115
3116	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3117	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3118
3119	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3120	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3121	frame $expgui(ProfileBox).f -bd 0
3122	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3123
3124	# insert the histograms & resize in case the pane needs more space
3125	sethistlist
3126	ResizeNotebook
3127	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3128	}
3129
3130	##############################################################################
3131	# 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
3132	array set printopts {
3133	0 "Print the reciprocal metric tensor changes"
3134	1 "Print the correlation matrix"
3135	2 "Print the Least-Squares matrices and vectors"
3136	4 "Print the linear constraint matrices"
3137	5 "Print the applied shifts and shift factors"
3138	6 "Print the reciprocal metric tensor Var-Covar terms"
3139	7 "Print all parameters for each cycle"
3140	8 "Print summary shift/esd data after last cycle"
3141	9 "Print zero/unit pole figure constraint terms"
3142	}
3143	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3144	MakeHistBox $expgui(lsFrame).hs
3145	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3146	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3147	SetupExtractHist
3148	}
3149	bind $expgui(lsFrame).hs.lbox <Button-3> {
3150	if $expgui(globalmode) {
3151	$expgui(lsFrame).hs.lbox selection set 0 end
3152	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3153	SetupExtractHist
3154	}
3155	}
3156
3157	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3158	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3159	set row 0
3160	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3161	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3162	-textvariable expgui(last_History)] \
3163	-row $row -column 1 -columnspan 5 -sticky w
3164	incr row
3165	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3166	grid [entry $expgui(lsFrame).f1.tit2 \
3167	-textvariable entryvar(title) -width 48] \
3168	-row $row -column 1 -columnspan 5 -sticky w
3169	set entrycmd(title) "expinfo title"
3170
3171	incr row
3172	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3173	-row $row -column 0 -columnspan 2 -pady 3
3174	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3175	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3176	-textvariable entryvar(cycles)] -row 0 -column 1
3177	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3178	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3179	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3180	] -row $row -column 2
3181	menu $expgui(lsFrame).f1.lprint.menu
3182	foreach num [lsort [array names printopts]] {
3183	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3184	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3185	-variable entryvar(printopt$num)
3186	}
3187	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3188	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3189	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3190	incr row
3191	if {$expgui(haveBW)} {
3192	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3193	-text "Reflection Intensity Extraction" \
3194	] -row $row -column 0 -columnspan 6
3195	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3196	} else {
3197	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3198	] -row $row -column 0 -columnspan 6
3199	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3200	}
3201	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3202	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3203	-row 0 -column 8 -columnspan 3 -sticky e
3204	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3205	-row 0 -column 2
3206	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3207	-variable entryvar(fobsextract)] -row 0 -column 3
3208	foreach num {1 2 3 4 5 6 7 8 9} {
3209	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3210	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3211	-command "HistExtractSet $num" \
3212	-variable expgui(Fextract$num) -value 0] \
3213	-row 2 -column $num
3214	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3215	-command "HistExtractSet $num" \
3216	-variable expgui(Fextract$num) -value 1] \
3217	-row 3 -column $num
3218	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3219	-command "HistExtractSet $num" \
3220	-variable expgui(Fextract$num) -value 2] \
3221	-row 4 -column $num
3222	}
3223	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3224	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3225	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3226
3227	grid [label $expgui(FobsExtractFrame).t \
3228	-text "Extraction\nMethod" -anchor c] \
3229	-column 0 -row 0 -rowspan 2 -sticky s
3230	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3231	-column 1 -row 0 -columnspan 7 -sticky sw
3232	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3233	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3234	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3235	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3236	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3237	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3238	#-------------------------------------------------------------------------
3239	#-------------------------------------------------------------------------
3240	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3241
3242	#---- file menu button
3243	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3244	menu $expgui(fm).file.menu
3245	if $expgui(debug) {
3246	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3247	}
3248	if {$expgui(shell)} {
3249	$expgui(fm).file.menu add command -label "Open" -command readnewexp
3250	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3251	}
3252	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3253	-command savearchiveexp
3254	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3255	$expgui(fm).file.menu add command -label "Save As" \
3256	-command "SaveAsFile"
3257	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3258	-command {rereadexp $expgui(expfile)}
3259
3260	#---- help menu button
3261	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3262	menu $expgui(fm).help.menu
3263	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3264	-label "Help Summary"
3265	$expgui(fm).help.menu add command -command MakeWWWHelp \
3266	-label "Help on current pane"
3267	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
3268	-label "Help on menu"
3269	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3270	# define help actions
3271	bind . <Key-F1> MakeWWWHelp
3272	$expgui(fm).help.menu add command -label "About..." -command About
3273
3274	#---- options menu button
3275	menubutton $expgui(fm).option -text Options \
3276	-menu $expgui(fm).option.menu
3277	menu $expgui(fm).option.menu
3278
3279	if {$expgui(shell)} {
3280	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3281	-variable expgui(archive)
3282	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3283	-variable expgui(disaglSeparateBox)
3284	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3285	-variable expgui(autoexpload)
3286	$expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \
3287	-variable expgui(autoiconify)
3288	}
3289	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3290	-label "Sort atoms by"
3291
3292	set expgui(asorttype) number
3293	menu $expgui(fm).option.menu.asort
3294	foreach opt {number type mult x y z occupancy} {
3295	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3296	-label $opt -value $opt -variable expgui(asorttype)
3297	}
3298
3299	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3300	-label "Sort histograms by"
3301
3302	set expgui(hsorttype) number
3303	menu $expgui(fm).option.menu.hsort
3304	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3305	-label number -value number -variable expgui(hsorttype)
3306	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3307	-label "Histogram type" -value type -variable expgui(hsorttype)
3308	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3309	-label "Bank #" -value bank -variable expgui(hsorttype)
3310	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3311	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3312
3313	#---- Global mode menu button
3314	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3315	-label "Multiple hist. selection"
3316	menu $expgui(fm).option.menu.editmode
3317	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3318	-variable expgui(globalmode) -value 0 \
3319	-command sethistlist
3320	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3321	-variable expgui(globalmode) -value 6 \
3322	-command sethistlist
3323	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3324	-variable expgui(globalmode) -value 1 \
3325	-command sethistlist
3326	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3327	-variable expgui(globalmode) -value 2 \
3328	-command sethistlist
3329	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3330	-variable expgui(globalmode) -value 3 \
3331	-command sethistlist
3332	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3333	-variable expgui(globalmode) -value 4 \
3334	-command sethistlist
3335	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3336	-variable expgui(globalmode) -value 5 \
3337	-command sethistlist
3338	$expgui(fm).option.menu.editmode add separator
3339	$expgui(fm).option.menu.editmode add checkbutton \
3340	-label "Group phases together" \
3341	-variable expgui(globalphasemode) \
3342	-command sethistlist
3343
3344	set expgui(globalmode) 0
3345	set expgui(globalphasemode) 1
3346
3347	if {$tcl_platform(platform) == "unix"} {
3348	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3349	-variable env(GSASBACKSPACE)
3350	}
3351
3352	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
3353	-variable expgui(showexptool)
3354	$expgui(fm).option.menu add command -label "Save Options" \
3355	-command "SaveOptions"
3356
3357	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3358
3359	if {$expgui(shell)} {
3360	foreach menu $expgui(menunames) {
3361	set m [string tolower $menu]
3362	pack [menubutton $expgui(fm).$m -text $menu \
3363	-menu $expgui(fm).$m.menu] -side left
3364	menu $expgui(fm).$m.menu
3365	}
3366	}
3367	pack $expgui(fm).help -side right -in $expgui(fm)
3368
3369	if {$expgui(shell)} {
3370	# add the commands in expgui_menulist
3371	foreach menu [array names expgui_menulist ] {
3372	foreach cmd $expgui_menulist($menu) {
3373	set action {}
3374	set opt {}
3375	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3376	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3377	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3378	if {$action != "" && $action != "-"} {
3379	eval $expgui(fm).$menu.menu add command \
3380	-label $cmd $opt -command [list [subst $action]]
3381	if {[lindex $opt 0] == "-underline"} {
3382	catch {
3383	set num [lindex $opt 1]
3384	set key [string range $cmd $num $num]
3385	bind . <Alt-[string tolower $key]> [subst $action]
3386	bind . <Alt-[string toupper $key]> [subst $action]
3387	}
3388	}
3389	}
3390	}
3391	}
3392	}
3393	# setup command help
3394	foreach cmd [array names expgui_cmdlist] {
3395	set help {}
3396	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3397	if {$help == ""} {
3398	if {$expgui(debug)} {puts "no help for $cmd"}
3399	} else {
3400	# remove
3401	regsub -all \x09 $help " " help
3402	# preserve blank lines
3403	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3404	regsub -all \x0A $help " " help
3405	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3406	regsub -all " +" $help " " help
3407	set expgui_helplist($cmd) [string trim $help]
3408	}
3409	}
3410	if {$expgui(shell)} {
3411	# set up button bar
3412	foreach cmd $expgui(buttonlist) {
3413	set action {}
3414	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3415	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3416	if {$action != ""} {
3417	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3418	-text $cmd -command [list [subst $action]]] -side left
3419	}
3420	}
3421	}
3422
3423	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3424	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3425	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3426
3427	# make the phase pane
3428	MakePhasePane
3429	# and the rest of the windows w/o BWidget
3430	if !$expgui(haveBW) {
3431	MakeHistPane
3432	MakeScalingPane
3433	MakeProfilePane
3434	}
3435
3436	# handle indirect exits
3437	wm protocol . WM_DELETE_WINDOW catchQuit
3438	bind . <Control-c> catchQuit
3439
3440	set expgui(curPhase) ""
3441	set expgui(pagenow) ""
3442	set expgui(curhist) {}
3443	set expgui(selectedatomlist) {}
3444
3445	loadexp $expgui(expfile)
3446
3447	# select the 1st phase
3448	SelectOnePhase [lindex $expmap(phaselist) 0]
3449	# select the first histogram in the list by default (if there are any)
3450	if {[llength $expmap(histlistboxcontents)] > 0} {
3451	set expgui(curhist) 0
3452	} else {
3453	set expgui(curhist) {}
3454	}
3455
3456	# execute any local commands for final initialization
3457	eval $expgui(initstring)
3458
3459	# resize the notebook to fit all the tabs and the largest page
3460	ResizeNotebook
3461
3462	RaisePage lsFrame
3463	if {[CountHistory] > 100} {
3464	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3465	}

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