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source: trunk/expgui @ 345

Last change on this file since 345 was 327, checked in by toby, 13 years ago
# on 2000/10/18 00:00:05, toby did: move platform-specific runtime code from gsascmds.tcl to here so that it gets run after the local config files are read Switch tk_dialog to MyMessageBox? and add WWW references for soem error mgs disable add histogram until after a phase has been added add update idletasks to profile, so that something happens right away
Property rcs:author set to `toby` Property rcs:date set to `2000/10/18 00:00:05` Property rcs:lines set to `+39 -5` Property rcs:rev set to `1.38` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 120.5 KB

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

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