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source: trunk/expgui @ 796

Last change on this file since 796 was 796, checked in by toby, 14 years ago
# on 2004/05/13 23:48:09, toby did: add open console
Property rcs:author set to `toby` Property rcs:date set to `2004/05/13 23:48:09` Property rcs:lines set to `+9 -2` Property rcs:rev set to `1.72` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 152.2 KB

Line
1	#!/bin/sh
2	# the next line restarts this script using wish found in the path\
3	exec wish "$0" "$@"
4	# If this does not work, change the #!/usr/bin/wish line below
5	# to reflect the actual wish location and delete all preceeding lines
6	#
7	# (delete here and above)
8	#!/usr/bin/wish
9	# $Id: expgui 796 2009-12-04 23:12:10Z toby $
10	set expgui(Revision) {$Revision: 796 $ $Date: 2009-12-04 23:12:10 +0000 (Fri, 04 Dec 2009) $}
11
12	# to do:
13	#
14	# need to change heading and button label depending on where getExpFileName
15	# is called from?
16	#
17	# global background editing & profile work differently: should both
18	# start out blank with a "load from option"?
19	#
20	# idea:
21	# a scroll list for all histogram refinement flags ; click on takes you to the
22	# appropriate menu.
23	#
24	# idea:
25	# change cell parameters to labels and have a edit cell button
26	# that enforces metric symmetry
27	#
28	# to allow "global" access on phase page
29	# change buttons from radio to multiple
30	# -- or display all 9 cell flag/damps and all atoms
31	# make editMultipleRecords work with multiple phases, also cell flag/damp
32	# blank cell entries
33	# add phase to atom number in listing
34	# DisplayAllAtoms needs to loop over phases
35	#
36	# idea: load more than one bank from a multi-bank .RAW file
37	#
38	if {$tcl_version < 8.0} {
39	tk_dialog .expFileErrorMsg "Version Error" \
40	"EXPGUI requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
41	exit
42	}
43
44	# the shell variable tells expgui to act as a shell for GSAS
45	# as well as edit the EXP file. In no-shell mode, it can
46	# only be used to edit the .EXP file as a callable program
47	set expgui(shell) 1
48	catch {if $env(EXPGUI_NOSHELL) {set expgui(shell) 0}}
49
50	if {$argv != ""} {
51	if {[string match noshell [string tolower $argv]]} {
52	#puts noshell
53	set expgui(shell) 0
54	set expgui(expfile) [lindex $argv 1]
55	} else {
56	set expgui(expfile) [lindex $argv 0]
57	}
58	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
59	append expgui(expfile) ".EXP"
60	}
61	} else {
62	set expgui(expfile) {}
63	}
64
65	set expgui(curhist) {}
66	set expmap(powderlist) {}
67	set expgui(bkgcolor1) #fdf
68
69	set expgui(debug) 0
70	catch {if $env(DEBUG) {set expgui(debug) 1}}
71	#set expgui(debug) 1
72
73	# location for web pages, if not found locally
74	set expgui(website) www.ncnr.nist.gov/xtal/software/expgui
75	# default for archive mode = on
76	set expgui(archive) 1
77	# default for autoexec load = off
78	set expgui(autoexpload) 0
79	# default for autostart GRWND = off
80	set expgui(autoGRWND) 0
81	# by default expgui is iconified while GENLES, etc runs
82	set expgui(autoiconify) 1
83	# default for show EXPTOOL output = off
84	set expgui(showexptool) 0
85	# save the name of the wish executable
86	set wishshell [info nameofexecutable]
87	# misc constants
88	set txtvw(font) "Courier"
89	set expgui(font) 14
90	set liveplot(hst) 1
91	set liveplot(legend) 1
92	set expgui(filesort) 1
93	set expgui(initstring) {}
94	# use a separate window for DISAGL (default)
95	set expgui(disaglSeparateBox) 1
96	set expgui(DefaultPeakType) 0
97	# default: keep current atoms when replacing a phase
98	set expgui(DeleteAllAtoms) 0
99	# flags for running POWPREF
100	set expgui(needpowpref) 0
101	set expgui(needpowpref_why) ""
102	# on Mac associate a app with .EXP file (on by default)
103	set expgui(MacAssignApp) 1
104	#=============================================================================
105	#----------------------------------------------------------------
106	# where are we?
107	set expgui(script) [info script]
108	# translate links -- go six levels deep
109	foreach i {1 2 3 4 5 6} {
110	if {[file type $expgui(script)] == "link"} {
111	set link [file readlink $expgui(script)]
112	if { [file pathtype $link] == "absolute" } {
113	set expgui(script) $link
114	} {
115	set expgui(script) [file dirname $expgui(script)]/$link
116	}
117	} else {
118	break
119	}
120	}
121	# fixup relative paths
122	if {[file pathtype $expgui(script)] == "relative"} {
123	set expgui(script) [file join [pwd] $expgui(script)]
124	}
125	set expgui(scriptdir) [file dirname $expgui(script) ]
126	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
127	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
128	set expgui(docdir) [file join $expgui(scriptdir) doc]
129	#----------------------------------------------------------------
130	lappend auto_path $expgui(scriptdir)
131	set expgui(havetix) 0
132	set expgui(haveBW) 1
133	# for debugging non-BWidget version set environment variable NOBWIDGET
134	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
135	if $expgui(haveBW) {
136	if [catch {package require BWidget}] {set expgui(haveBW) 0}
137	}
138	# get the notebook widget if not using BWidgets
139	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
140	#----------------------------------------------------------------
141	source [file join $expgui(scriptdir) opts.tcl]
142	# fetch EXP file processing routines
143	source [file join $expgui(scriptdir) readexp.tcl]
144	# commands for running GSAS programs
145	source [file join $expgui(scriptdir) gsascmds.tcl]
146	# contents of GSAS menus
147	source [file join $expgui(scriptdir) gsasmenu.tcl]
148	# commands for adding phases, histograms & atoms
149	source [file join $expgui(scriptdir) addcmds.tcl]
150	# commands for preferred orientation
151	source [file join $expgui(scriptdir) orient.tcl]
152	# setting data range/excluded regions
153	source [file join $expgui(scriptdir) exclinit.tcl]
154	#---------------------------------------------------------------------------
155	# override options with locally defined values
156	set filelist [file join $expgui(scriptdir) localconfig]
157	if {$tcl_platform(platform) == "windows"} {
158	lappend filelist "c:/gsas.config"
159	} else {
160	lappend filelist [file join ~ .gsas_config]
161	}
162	if {[catch {
163	foreach file $filelist {
164	if [file exists $file] {source $file}
165	}
166	} errmsg]} {
167	set msg "Error reading file $file (aka [file nativename $file]): $errmsg"
168	MyMessageBox -parent . -title "Customize warning" \
169	-message $msg -icon warning -type Ignore -default ignore \
170	-helplink "expguierr.html Customizewarning"
171	}
172	SetTkDefaultOptions $expgui(font)
173	#---------------------------------------------------------------------------
174	# platform-specific code
175	if {$tcl_platform(platform) == "windows" \
176	&& $tcl_platform(os) == "Windows 95"} {
177	if [catch {package require winexec}] {
178	MyMessageBox -parent . -title "WINEXEC Error" \
179	-message "Error -- Unable to load the WINEXEC package. This is needed in Win95 machines" \
180	-icon error -type Quit -default quit \
181	-helplink "expgui_Win_readme.html Winexec"
182	destroy .
183	}
184	}
185	if {$tcl_platform(platform) == "windows"} {
186	# check the path -- can DOS use it?
187	if {[string first {\\} $expgui(script) ] != -1} {
188	MyMessageBox -parent . -title "Networked Path" \
189	-message "Note -- You may have problems running EXPGUI/GSAS from a network drive. If you have errors, map $expgui(gsasdir) to a \"drive\" (like F:). (Use \"Map network drive\" to do this.)" \
190	-icon error -type {"Be brave"} -default "be brave" \
191	-helplink "expgui_Win_readme.html NetPath"
192	}
193	#
194	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
195	} else {
196	set expgui(exptool) [file join $expgui(gsasexe) exptool]
197	if {$tcl_platform(os) != "Darwin"} {
198	if [catch {set env(GSASBACKSPACE)}] {set env(GSASBACKSPACE) 1}
199	}
200	}
201	# do we have a PGPLOT fonts file?
202	# if it is in the "wrong" place/name -- make it "right"
203	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
204	[file exists [file join $expgui(gsasdir) fonts grfont.dat]]} {
205	catch {file mkdir [file join $expgui(gsasdir) pgl]}
206	file copy [file join $expgui(gsasdir) fonts grfont.dat] \
207	[file join $expgui(gsasdir) pgl grfont.dat]
208	}
209	# do we have a PGPLOT fonts file?
210	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
211	[file exists [file join $expgui(gsasdir) fonts pgfont.dat]]} {
212	catch {file mkdir [file join $expgui(gsasdir) pgl]}
213	file copy [file join $expgui(gsasdir) fonts pgfont.dat] \
214	[file join $expgui(gsasdir) pgl grfont.dat]
215	}
216	# do we have a PGPLOT fonts file?
217	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
218	[file exists [file join $expgui(gsasdir) pgl pgfont.dat]]} {
219	file copy [file join $expgui(gsasdir) pgl pgfont.dat] \
220	[file join $expgui(gsasdir) pgl grfont.dat]
221	}
222	if ![file exists [file join $expgui(gsasdir) pgl grfont.dat]] {
223	MyMessageBox -parent . -title "PGPLOT Error" \
224	-message "Warning -- Unable to find file GRFONT.DAT in [file join $expgui(gsasdir) pgl]. GSAS graphics will not work. Is GSAS correctly installed?" \
225	-icon warning -type {"Limp Ahead"} -default "Limp Ahead" \
226	-helplink "expguierr.html NoPGPLOT"
227	}
228	#---------------------------------------------------------------------------
229	if {$expgui(expfile) != ""} {
230	# is there a space in the EXP name?
231	if {[string first " " [file tail $expgui(expfile)]] != -1} {
232	update
233	MyMessageBox -parent . -title "File Name Error" \
234	-message "File name \"$expgui(expfile)\" is invalid -- EXPGUI cannot process experiment files with spaces in the name" \
235	-icon warning -type Continue -default continue
236	# -helplink "expguierr.html OpenErr"
237	set expgui(expfile) {}
238	} elseif {[string first " " [file dirname $expgui(expfile)]] != -1} {
239	update
240	MyMessageBox -parent . -title "Good luck..." \
241	-message "You are using a directory with a space in the name ([file dirname $expgui(expfile)]) -- You may encounter bugs in EXPGUI. Please e-mail them to Brian.Toby@NIST.gov so they can be fixed." \
242	-icon warning -type Continue -default continue
243	# -helplink "expguierr.html OpenErr"
244	} elseif ![file exists $expgui(expfile)] {
245	update
246	set ans [
247	MyMessageBox -parent . -title "File Open Error" \
248	-message "File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]. OK to create?" \
249	-icon question -type {"Select other" "Create"} -default "select other" \
250	-helplink "expguierr.html OpenErr"
251	]
252	if {[string tolower $ans] != "create"} {set expgui(expfile) {}}
253	}
254	}
255	set expgui(resize) 0
256	if {$expgui(expfile) == ""} {
257	# center the parent window because the getExpFileName window
258	# will be centered above it.
259	wm withdraw .
260	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
261	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
262	wm geom . +$x+$y
263	wm deiconify .
264	# windows needed this update before when using tk_getOpenFile.
265	# I am not sure it is still needed.
266	update
267	#
268	set expgui(expfile) [getExpFileName ""]
269	set expgui(resize) 1
270	}
271	if {$expgui(expfile) == ""} exit
272	# you've been warned this .EXP does not exist!
273	if ![file exists $expgui(expfile)] {
274	# create an "empty" exp file
275	createexp $expgui(expfile) \
276	[getstring "title for experiment $expgui(expfile)" 60 0]
277	}
278	catch {cd [string trim [file dirname $expgui(expfile)]]}
279
280	#
281	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
282	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
283	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
284	# load exp file and set up dialogs
285	proc loadexp {expfile} {
286	global expgui expmap entryvar entrycmd tcl_platform
287	# is this a compressed archive file?
288	if {[string match {*.O[0-9A-F][0-9A-F]} $expfile]} {
289	set expgui(expfile) {}
290	set expnam [file rootname $expfile]
291	set ans [MyMessageBox -parent . -title "Load Archived File" \
292	-message "Loading archived version of $expnam. Do you want to continue using the same experiment name or work with the archived version under a new name?" \
293	-icon question -type "{Use New Name} {Continue with current}" \
294	-default {Use New Name} \
295	-helplink "expguierr.html LoadArchived"
296	]
297	# archive the current .EXP file
298	if {$ans != "use new name" && [file exists $expfile]} {
299	# get the last archived version
300	set lastf [lindex [lsort [glob -nocomplain $expnam.{O\[0-9A-F\]\[0-9A-F\]}]] end]
301	if {$lastf == ""} {
302	set num 01
303	} else {
304	regexp {.*\.O([0-9A-F][0-9A-F])$} $lastf a num
305	scan $num %x num
306	if {$num >= 255} {
307	set num FF
308	} else {
309	set num [string toupper [format %.2x [incr num]]]
310	}
311	}
312	catch {
313	set newfile $expnam.O$num
314	file rename -force $expnam.EXP $newfile
315	set fp [open $expnam.LST a+]
316	puts $fp "\n----------------------------------------------"
317	puts $fp " Regressing to archive file [file tail $expfile]"
318	puts $fp " but first archiving [file tail $expnam.EXP] as [file tail $newfile]"
319	puts $fp "----------------------------------------------\n"
320	close $fp
321	}
322	file copy -force $expfile $expnam.EXP
323	set expfile $expnam.EXP
324	}
325	if {$ans == "use new name"} {
326	set newexpfile [getExpFileName new]
327	if {$newexpfile == ""} return
328	file copy -force $expfile $newexpfile
329	catch {cd [string trim [file dirname $expgui(expfile)]]}
330	set expfile [file tail $newexpfile]
331	set expgui(needpowpref) 2
332	set expgui(needpowpref_why) "\tA new .EXP file was created\n"
333	}
334	}
335	set expgui(expfile) $expfile
336
337	# change the icon and assign an app to this .EXP file
338	global tcl_platform
339	if {$tcl_platform(os) == "Darwin" && $expgui(MacAssignApp)} {
340	MacSetResourceFork $expfile
341	}
342
343	# read in the .EXP file
344	set fmt [expload $expfile]
345	# if the file was not in the correct format, force a rewrite before use
346	if {$fmt < 0} {
347	# read error
348	return
349	} elseif {$fmt == 1} {
350	set expgui(changed) 0
351	} else {
352	set expgui(changed) 1
353	}
354	# force exp files to be upper case, force save if name changes
355	set filetail [file tail $expfile]
356	set filetailcaps [string toupper $filetail]
357	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
358	set expgui(changed) 1
359	}
360	if {[file dirname $expfile] == "."} {
361	set expgui(expfile) $filetailcaps
362	} else {
363	set expgui(expfile) [file join \
364	[file dirname $expfile] $filetailcaps]
365	}
366
367	mapexp
368	set expgui(expModifiedLast) 0
369	catch {
370	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
371	}
372	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
373	# set the window/icon title
374	wm title . "EXPGUI $expfile"
375	set expgui(titleunchanged) 1
376	wm iconname . [file tail $expfile]
377
378	# reset the phase buttons
379	set expgui(curPhase) ""
380	# set the number of phases on the phase page
381	setphases
382
383	# disable the "global options" that don't make sense based on
384	# which histograms present
385	foreach num {1 2 3 4 5} {
386	set flag($num) 0
387	}
388	# save a list of the allowed modes, too
389	set expgui(AllowedHistSelectModes) {0 6}
390	foreach h $expmap(powderlist) {
391	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
392	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
393	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
394	[histinfo $h lam2] != 0.0} {set flag(3) 1}
395	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
396	[histinfo $h lam2] == 0.0} {set flag(4) 1}
397	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
398	}
399	foreach num {1 2 3 4 5} \
400	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
401	"Energy Disp Xray"} {
402	if $flag($num) {
403	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
404	lappend expgui(AllowedHistSelectModes) $num
405	} else {
406	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
407	}
408	}
409	# disable traces on entryvar until we are ready
410	set entrycmd(trace) 0
411	trace vdelete entryvar w entvartrace
412
413	# propogate changes on the least squares page
414	set entryvar(cycles) [expinfo cycles]
415	set entrycmd(cycles) "expinfo cycles"
416	# set expgui(globalmode) 0
417	set expgui(printopt) "Print Options ([expinfo print])"
418	set entryvar(title) [expinfo title]
419	global printopts
420	foreach num [array names printopts] {
421	set entrycmd(printopt$num) "printsetting $num"
422	set entryvar(printopt$num) [printsetting $num]
423	}
424	# enable traces on entryvar
425	set entrycmd(trace) 1
426	trace variable entryvar w entvartrace
427
428	# set fo extraction on LS page
429	SetupExtractHist
430	# set convergence criterion
431	InitLSvars
432
433	# update the histogram list & update the page
434	sethistlist
435
436	# start checking for external changes
437	afterawhile
438	}
439
440	# called to reread the .EXP file
441	proc rereadexp {expfile} {
442	global expgui
443	if $expgui(changed) {
444	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
445	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
446	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
447	switch $decision {
448	0 { savearchiveexp }
449	1 { }
450	2 { return }
451	}
452	}
453	loadexp $expgui(expfile)
454	}
455
456	proc SaveAsFile {} {
457	global expgui
458	set newexpfile [getExpFileName new]
459	if {$newexpfile == ""} return
460	expwrite $newexpfile
461	set expgui(expfile) $newexpfile
462	catch {cd [string trim [file dirname $expgui(expfile)]]}
463	# change the icon and assign an app to this .EXP file
464	global tcl_platform
465	if {$tcl_platform(os) == "Darwin" && $expgui(MacAssignApp)} {
466	MacSetResourceFork $expgui(expfile)
467	}
468	set expgui(changed) 0
469	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
470	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
471	# set the window/icon title
472	wm title . $expgui(expfile)
473	set expgui(titleunchanged) 1
474	wm iconname . [file tail $expgui(expfile)]
475	# set convergence criterion
476	InitLSvars
477	set expgui(needpowpref) 2
478	set expgui(needpowpref_why) "\tA new .EXP file was created\n"
479	}
480
481	# called to read a different .EXP file
482	proc readnewexp {} {
483	global expgui expmap
484	if $expgui(changed) {
485	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
486	{You have made changes to the Experiment. Reading a different file without first saving will cause the changes to be lost. Select an option:} \
487	{} 0 "Save and read" "Read without Save" "Cancel read command"]
488	switch $decision {
489	0 { savearchiveexp }
490	1 { }
491	2 { return }
492	}
493	}
494	set newexpfile [getExpFileName old]
495	if {$newexpfile == ""} return
496
497	# switch to the 1st page
498	RaisePage lsFrame
499
500	if ![file exists $newexpfile] {
501	# you've been warned this .EXP does not exist!
502	# create an "empty" exp file
503	createexp $newexpfile \
504	[getstring "title for experiment $newexpfile" 60 0]
505	}
506	set expgui(expfile) $newexpfile
507	catch {cd [string trim [file dirname $expgui(expfile)]]}
508	set expgui(globalmode) 0
509	loadexp $expgui(expfile)
510
511	# reset the phase selection
512	set expgui(curPhase) {}
513
514	# select the first histogram in the list by default (if there are any)
515	if {[llength $expmap(histlistboxcontents)] > 0} {
516	set expgui(curhist) 0
517	} else {
518	set expgui(curhist) {}
519	}
520	if {[CountHistory] > 100} {
521	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
522	}
523	}
524
525	#------------- set up data read/write layer ----------------------
526	# trace routine on entryvar
527	proc entvartrace {array elem action} {
528	global expgui entrycmd entryvar entrybox
529	if !$entrycmd(trace) return
530
531	catch {
532	if {$entrycmd($elem) == ""} return
533	incr expgui(changed)
534	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
535	if {$entrycmd($elem) == ""} return
536	if [catch {
537	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
538	if {!$result} {
539	if $expgui(debug) {puts "error with $entrycmd($elem)"}
540	catch {$entrybox($elem) config -fg red}
541	} else {
542	catch {$entrybox($elem) config -fg black}
543	}
544	if {[string match "*atominfo" [lindex $entrycmd($elem) 0]]} {
545	after idle "UpdateAtomLine \
546	[list [lindex $entrycmd($elem) 2]] \
547	[lindex $entrycmd($elem) 1]"
548	}
549	} errmsg] {error $errmsg}
550	}
551	}
552
553	# disable traces on entryvar until we are ready
554	set entrycmd(trace) 0
555	trace variable entryvar w entvartrace
556
557	#
558	#
559	#
560	##############################################################################
561	##### #####################################################
562	##### PROCEDURES SECTION #####################################################
563	##### #####################################################
564	##############################################################################
565
566	# save some of the global options in ~/.gsas_config or ~/gsas.config in Windows
567	proc SaveOptions {} {
568	global expgui env tcl_platform graph peakinfo
569	if {$tcl_platform(platform) == "windows"} {
570	set fp [open c:/gsas.config a]
571	} else {
572	set fp [open [file join ~ .gsas_config] a]
573	}
574
575	puts $fp "# EXPGUI saved options from [clock format [clock seconds]]"
576	set itemlist {archive asorttype hsorttype filesort disaglSeparateBox \
577	font autoexpload autoiconify autotick}
578	if {$tcl_platform(os) == "Darwin"} {
579	lappend itemlist MacAssignApp
580	}
581	if {$tcl_platform(platform) == "windows" && \
582	$tcl_platform(os) == "Windows 95"} {
583	lappend itemlist autoGRWND
584	}
585	foreach item $itemlist {
586	puts $fp "set expgui($item) [list $expgui($item)]"
587	}
588	if {$tcl_platform(platform) != "windows"} {
589	puts $fp "set env(GSASBACKSPACE) [list $env(GSASBACKSPACE)]"
590	}
591	foreach v {printout legend outname outcmd autoraise color_excl \
592	color_obs color_calc} {
593	puts $fp "set graph($v) [list $graph($v)]"
594	}
595	foreach v {obssym obssize exclsym exclsize} {
596	puts $fp "set peakinfo($v) [list $peakinfo($v)]"
597	}
598	close $fp
599	}
600
601	proc About { } {
602	global expgui expmap
603	tk_dialog .about {About...} \
604	"EXPGUI\n\
605	Jonathan Wasserman and Brian Toby\n\
606	NIST Center for Neutron Research\n\n\
607	2000, Not subject to copyright\n\n\
608	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
609	Cite: B. H. Toby, EXPGUI, a graphical\n\
610	user interface for GSAS, J. Appl. Cryst.\n\
611	34, 210-21 (2001).
612	\n\n\
613	Generalized Structure Analysis System\n(GSAS)\n\
614	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
615	" \
616	info 0 OK
617	}
618	proc Cite { } {
619	global expgui expmap
620	tk_dialog .about {Citations...} \
621	"If you use EXPGUI, please cite\n\n\
622	B.H. Toby, EXPGUI, a graphical\n\
623	user interface for GSAS, J. Appl. Cryst.\n\
624	34, 210-21 (2001).\n\n\
625	as well as\n\n\
626	A.C. Larson and R.B. Von Dreele,\n\
627	\"General Structure Analysis System (GSAS)\",\n\
628	Los Alamos National Laboratory Report\n\
629	LAUR 86-748 (2000)." \
630	info 0 OK
631	}
632
633	# this proc is no longer called, but I am leaving it here as it may
634	# be of use in the future
635	proc MakeAppleScript {} {
636	global wishshell expgui
637	# create a local script directory, if it does not exist
638	if {![file exists ~/Library/Scripts]} {file mkdir ~/Library/Scripts}
639	set tmpfile [file nativename ~/tmpscriptfile]
640	set startdir [tk_chooseDirectory -initialdir [pwd] -mustexist 1 \
641	-title "Choose GSAS starting directory"]
642	if {$startdir == ""} {set startdir "~"}
643	set dir [file nativename ~/Library/Scripts]
644	if {[set xterm [auto_execok xterm]] == ""} {
645	MyMessageBox -parent . -title "xterm not found " \
646	-message "The AppleScript could not be created because the X11 xterm application was not found. Please correct your path and try again." \
647	-icon "error" -type Sorry -default sorry
648	# -helplink "expguierr.html Customizewarning"
649	return
650	}
651	set file [tk_getSaveFile -initialdir $dir -initialfile EXPGUI.scpt \
652	-title "Choose location to save script"]
653	set path {$PATH:}
654	append path [file dirname $xterm]
655	set fp [open $tmpfile w]
656	# the applescript starts here
657	puts $fp {on run}
658	puts $fp { tell application "Finder"}
659	puts $fp { launch application "X11"}
660	puts $fp { end tell}
661	puts $fp " set results to do shell script \"cd $startdir; DISPLAY=:0.0 PATH=$path $wishshell $expgui(script) > /dev/null 2>&1 &\""
662	puts $fp {end run}
663	# drag & drop
664	puts $fp {on open these_files}
665	puts $fp { tell application "Finder"}
666	puts $fp { launch application "X11"}
667	puts $fp { end tell}
668	puts $fp { repeat with this_file in these_files}
669	puts $fp " set results to do shell script \"cd $startdir; DISPLAY=:0.0 PATH=$path $wishshell $expgui(script) \" & the quoted form of the POSIX path of this_file & \" > /dev/null 2>&1 &\""
670	puts $fp { end repeat}
671	puts $fp {end open}
672	close $fp
673	if {[catch {
674	exec osacompile -l AppleScript -o $file $tmpfile
675	file delete -force $tmpfile
676	MyMessageBox -parent . -title "AppleScript created" \
677	-message "Script $file created & compiled. You may wish to use the Script Editor to save this as an application" \
678	-icon "info" -type OK -default ok \
679	-helplink "osx.html CompileAppleScript"
680	} errmsg]} {
681	MyMessageBox -parent . -title "AppleScript warning" \
682	-message "An error occurred while attempting to create the script. Please report this bug, including these details:\n$errmsg"\
683	-icon warning -type Ignore -default ignore
684	# -helplink "expguierr.html Customizewarning"
685	}
686	}
687
688	# this proc gets called when the export coordinate button is pressed
689	# it loads export
690	proc BuildCoordExpMenu {menu} {
691	global expgui_cmdlist expgui
692	# do this only once
693	$menu config -postcommand {}
694	$menu delete 1 end
695	# add the cif export routine
696	set cmd gsas2cif
697	set action {}
698	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
699	if {$action != "" && $action != "-"} {
700	$menu add command -label $cmd -command [subst $action]
701	}
702	# get a list of files to read
703	set filelist [glob -nocomplain [file join $expgui(scriptdir) export_*.tcl]]
704	foreach file $filelist {
705	source $file
706	$menu add command -label $label -command $action
707	}
708	}
709
710	# utility export routines for the export_*.tcl files:
711	# make a box for export
712	proc MakeExportBox {win title webref} {
713	global expmap expgui
714	catch {destroy $win}
715	toplevel $win
716	wm title $win "Export coordinates"
717	if {$webref != ""} {
718	bind $win <Key-F1> $webref
719	}
720	pack [label $win.lbl -text $title] -side top -anchor center
721	pack [frame $win.ps] -side top -anchor w
722	pack [label $win.ps.lbl -text "Select phase: "] -side left
723	foreach num $expmap(phaselist) {
724	pack [button $win.ps.$num -text $num \
725	-command "SetExportPhase $num $win"] -side left
726	}
727	# leave a place for format-specific items
728	pack [frame $win.special] -side top
729	pack [frame $win.but] -side top -fill x -expand yes
730	pack [button $win.but.1 -text Write -command "destroy $win"] -side left
731	SetExportPhase [lindex $expmap(phaselist) 0] $win
732	pack [button $win.but.2 -text Quit \
733	-command "set expgui(export_phase) 0;destroy $win"] -side left
734	pack [button $win.but.help -text Help -bg yellow \
735	-command "MakeWWWHelp expgui.html ExportMSI"] \
736	-side right
737	}
738
739	# set the phase in response to the button
740	proc SetExportPhase {num win} {
741	global expmap expgui
742	foreach n $expmap(phaselist) {
743	if {$n == $num} {
744	$win.ps.$n config -relief sunken;
745	set expgui(export_phase) $num
746	} else {
747	$win.ps.$n config -relief raised
748	}
749	}
750	}
751
752	# wait until idle
753	proc afterawhile {} {
754	# cancel any other instances of this loop
755	after cancel afterawhile
756	after cancel whenidle
757	after cancel whenidle
758	after idle whenidle
759	}
760
761	# This is called every 2 seconds to check for changes to the .EXP file
762	proc whenidle {} {
763	global expgui tcl_platform
764	if $expgui(titleunchanged) {
765	if {$expgui(changed) != 0} {
766	wm title . "$expgui(expfile) (modified)"
767	set expgui(titleunchanged) 0
768	}
769	}
770	if {$expgui(expModifiedLast) == 0} {
771	after 2000 afterawhile
772	return
773	}
774	if {![file exists $expgui(expfile)]} {
775	after 2000 afterawhile
776	return
777	}
778	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
779	# we are "locked". Note that whenidle loop will be restarted later
780	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
781	return
782	}
783	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
784
785	if {$ans == 0} {
786	loadexp $expgui(expfile)
787	} elseif {$ans == 1} {
788	# reset the time to the next version
789	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
790	} elseif {$ans == 2} {
791	SaveAsFile
792	}
793	}
794	after 2000 afterawhile
795	}
796
797	# place a message about changes over the main window
798	proc ReloadExpMsg {file changes} {
799	global expgui tcl_platform
800	set msg "File $file has been modified by another program"
801	if {$changes == 1} {
802	append msg " and you have made a change to this version.\n"
803	} elseif {$changes > 0} {
804	append msg " and you have made $changes changes to this version.\n"
805	} else {
806	append msg ".\n"
807	}
808	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
809
810	set w .ask
811	catch {destroy $w}
812	toplevel $w -class Dialog
813	wm title $w "Reload?"
814	wm iconname $w "Reload?"
815	wm protocol $w WM_DELETE_WINDOW { }
816	wm transient $w .
817	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
818	pack [button $w.help -text Help -bg yellow \
819	-command "MakeWWWHelp expguierr.html Overwrite"] \
820	-side top -anchor e
821	frame $w.bot
822	pack $w.bot -side bottom
823	frame $w.top -class FixedFont
824	pack $w.top -side top -fill both -expand 1
825	label $w.top.msg -justify left \
826	-wraplength 5i -font {Times 18} \
827	-text $msg
828	if {$tcl_platform(platform) == "windows"} {
829	$w.top.msg config -font {Times 14}
830	}
831	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
832	pack [button $w.bot.1 -text "Load new" \
833	-default active -command "set expgui(dialogbutton) 0" \
834	] -side left -expand 1 -padx 3m -pady 2m
835	pack [button $w.bot.2 -text "Continue with old" \
836	-command "set expgui(dialogbutton) 1"] \
837	-side left -expand 1 -padx 3m -pady 2m
838	if {$changes > 0} {
839	pack [button $w.bot.3 -text "Save edited version" \
840	-command "set expgui(dialogbutton) 2"] \
841	-side left -expand 1 -padx 3m -pady 2m
842	}
843	# Create a binding for <Return> on the dialog
844	bind $w <Return> "$w.bot.1 invoke"
845	wm withdraw $w
846	update idletasks
847
848	# for windows put the box in the upper left, for
849	# unix center it over the parent (in unix it appears later)
850	#if {$tcl_platform(platform) == "windows"} {
851	#wm geom $w +0+0
852	#} else {
853
854	# for now, always center the message over the main window
855	# center the new window in the middle of the parent
856	set x [expr [winfo x .] + [winfo width .]/2 - \
857	[winfo reqwidth $w]/2 - [winfo vrootx .]]
858	set y [expr [winfo y .] + [winfo height .]/2 - \
859	[winfo reqheight $w]/2 - [winfo vrooty .]]
860	wm geom $w +$x+$y
861	#}
862	wm deiconify $w
863
864	# Grab the focus
865	set oldFocus [focus]
866	set oldGrab [grab current $w]
867	if {[string compare $oldGrab ""]} {
868	set grabStatus [grab status $oldGrab]
869	}
870	catch {grab $w}
871	focus $w.bot.1
872	# for windows rearrange window stacking
873	# -- Removed since this will normally happen after the GSAS program
874	# has finished
875	#if {$tcl_platform(platform) == "windows"} {
876	#lower .
877	#raise $w .
878	#}
879	update idletasks
880
881	tkwait variable expgui(dialogbutton)
882	catch {focus $oldFocus}
883	destroy $w
884	if {[string compare $oldGrab ""]} {
885	if {![string compare $grabStatus "global"]} {
886	catch {grab -global $oldGrab}
887	} else {
888	catch {grab $oldGrab}
889	}
890	}
891	# for windows rearrange window stacking
892	#if {$tcl_platform(platform) == "windows"} {
893	#raise .
894	#}
895	return $expgui(dialogbutton)
896	}
897
898	# -------- called to confirm before exiting
899	proc catchQuit {} {
900	if {[confirmBeforeSave] == "Continue"} {
901	destroy .
902	}
903	}
904	# save the .EXP file before exiting?
905	proc confirmBeforeSave {} {
906	global expgui
907	if !$expgui(changed) {
908	return "Continue"
909	}
910	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
911	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
912	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
913	switch $decision {
914	0 { savearchiveexp; return "Continue" }
915	1 { return "Continue" }
916	2 { return "Cancel" }
917	}
918	}
919
920	# setup buttons for each phase on the phase page
921	proc setphases {} {
922	global expgui expmap
923	eval destroy [winfo children $expgui(phaseFrame).top.ps]
924	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
925	foreach num $expmap(phaselist) {
926	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
927	-command "SelectOnePhase $num" -padx 1.5m] -side left
928	}
929	if {[file executable $expgui(exptool)] && \
930	[llength $expmap(phaselist)]} {
931	pack [button $expgui(phaseFrame).top.ps.10 \
932	-text "Replace" -command MakeReplacePhaseBox \
933	] -side left
934	}
935	}
936
937	# Procedure to respond to changes the phase.
938	# This loads the "phases" widgets with data corresponding to the selected phase.
939	proc SelectOnePhase {num} {
940	global entryvar entrycmd entrybox expmap expgui
941	# if no phase has been selected, select the first one
942	if {$num == ""} {set num [lindex $expmap(phaselist) 0]}
943
944	set crsPhase {}
945	$expgui(atomxform) config -text "Xform Atoms" -state disabled
946	foreach n $expmap(phaselist) type $expmap(phasetype) {
947	if {$n == $num} {
948	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
949	set crsPhase $num
950	if {$type == 3} {
951	set expgui(phasetype) "Magnetic\nOnly"
952	} elseif {$type == 2} {
953	set expgui(phasetype) "Magnetic\n& Nuclear"
954	} elseif {$type == 4} {
955	set expgui(phasetype) "Macromolecular"
956	} else {
957	set expgui(phasetype) ""
958	}
959	} else {
960	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
961	}
962	}
963	# no phase is selected
964	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
965	# disable traces on entryvar
966	set entrycmd(trace) 0
967	set entrycmd(phasename) ""
968	set entryvar(phasename) ""
969	foreach ent {a b c alpha beta gamma} {
970	set entryvar($ent) ""
971	}
972	foreach ent {cellref celldamp} {
973	set entrycmd($ent) ""
974	set entryvar($ent) ""
975	}
976	set expgui(curPhase) {}
977	# enable traces on entryvar
978	set entrycmd(trace) 1
979	$expgui(EditingAtoms) config -text ""
980	DisplayAtom 0 0
981	DisplayU 0 0
982	DisplayRefFlags 0 0
983	$expgui(atomlistbox) delete 0 end
984	return
985	}
986
987	# don't reload the last displayed phase
988	if {$expgui(curPhase) == $crsPhase} return
989
990	##########################################################
991	# load and display a phase
992	##########################################################
993	# disable traces on entryvar while loading
994	set entrycmd(trace) 0
995	# phase title
996	set entrycmd(phasename) "phaseinfo $crsPhase name"
997	set entryvar(phasename) [phaseinfo $crsPhase name]
998	# cell parameters & flags
999	foreach ent {a b c alpha beta gamma} {
1000	set entryvar($ent) [phaseinfo $crsPhase $ent]
1001	}
1002	foreach ent {cellref celldamp} {
1003	set entrycmd($ent) "phaseinfo $crsPhase $ent"
1004	set entryvar($ent) [phaseinfo $crsPhase $ent]
1005	}
1006
1007	# initialize atoms display & disable
1008	DisplayAtom 0 0
1009	DisplayU 0 0
1010	DisplayRefFlags 0 0
1011	$expgui(EditingAtoms) config -text ""
1012
1013	DisplayAllAtoms $crsPhase
1014
1015	# enable traces on entryvar now
1016	set entrycmd(trace) 1
1017	}
1018
1019	set expgui(noreenterDisplayAllAtoms) 0
1020	# Populate expgui(atomlistbox) (a ScrolledListBox) with atoms
1021	# from the selected phase.
1022	proc DisplayAllAtoms {curPhase "mode reset"} {
1023	global entryvar entrycmd expmap expgui
1024	# if it does not show, we don't have a phase or we are already displaying
1025	# don't bother
1026	if {$expgui(pagenow) != "phaseFrame"} return
1027	if {$curPhase == ""} return
1028	if $expgui(noreenterDisplayAllAtoms) return
1029	# prevent reentry
1030	set expgui(noreenterDisplayAllAtoms) 1
1031	# set the current phase
1032	set expgui(curPhase) $curPhase
1033	if {$mode != "reset"} {
1034	# save the scrolled position
1035	set pos [lindex [$expgui(atomlistbox) yview] 0]
1036	} else {
1037	# for reset, do not keep the previously selected atoms
1038	set expgui(selectedatomlist) {}
1039	}
1040	$expgui(atomlistbox) delete 0 end
1041	# displaying a macromolecular phase?
1042	if {[lindex $expmap(phasetype) [expr {$expgui(curPhase) - 1}]] == 4} {
1043	set mm 1
1044	$expgui(phaseFrame).top.ps.10 config -state disabled
1045	$expgui(AddAtomBut) config -state disabled
1046	pleasewait "loading atoms..."
1047	} else {
1048	set mm 0
1049	if {[file executable $expgui(exptool)]} {
1050	$expgui(phaseFrame).top.ps.10 config -state normal
1051	$expgui(AddAtomBut) config -state normal
1052	}
1053	}
1054
1055	# prepare header info
1056	set maxline I
1057	set phase $expgui(curPhase)
1058	set atomlist {}
1059	set typehead "type "
1060	set namehead " name "
1061	set multhead "Mult"
1062	set coordhead " "
1063	if {$mm} {
1064	set cmd mmatominfo
1065	set frachead "Occ."
1066	} else {
1067	set cmd atominfo
1068	set frachead "Occupancy"
1069	}
1070	set reshead "res/grp/#"
1071	# sort the atoms, as requested
1072	if {$expgui(asorttype) == "type"} {
1073	# sort on atom type
1074	set typehead "type* "
1075	foreach atom $expmap(atomlist_$phase) {
1076	lappend atomlist "$atom [$cmd $phase $atom type] $phase"
1077	}
1078	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
1079	} elseif {$expgui(asorttype) == "number"} {
1080	# sort on atom number
1081	set namehead "* name "
1082	foreach atom $expmap(atomlist_$phase) {
1083	lappend atomlist "$atom $atom $phase"
1084	}
1085	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
1086	} elseif {$expgui(asorttype) == "mult"} {
1087	if {$mm} {
1088	set reshead "res*/grp/#"
1089	foreach atom $expmap(atomlist_$phase) {
1090	lappend atomlist "$atom [mmatominfo $phase $atom residue] $phase"
1091	}
1092	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
1093	} else {
1094	# sort on atom number
1095	set multhead "Mlt*"
1096	foreach atom $expmap(atomlist_$phase) {
1097	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
1098	}
1099	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
1100	}
1101	} elseif {$expgui(asorttype) == "occupancy"} {
1102	# sort on atom number
1103	if {$mm} {
1104	set frachead " Occ* "
1105	} else {
1106	set frachead " Occup* "
1107	}
1108	foreach atom $expmap(atomlist_$phase) {
1109	lappend atomlist "$atom [$cmd $phase $atom frac] $phase"
1110	}
1111	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
1112	} elseif {$expgui(asorttype) == "x"} {
1113	# sort on x
1114	set coordhead "(x*)"
1115	foreach atom $expmap(atomlist_$phase) {
1116	lappend atomlist "$atom [$cmd $phase $atom x] $phase"
1117	}
1118	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
1119	} elseif {$expgui(asorttype) == "y"} {
1120	# sort on y
1121	set coordhead "(y*)"
1122	foreach atom $expmap(atomlist_$phase) {
1123	lappend atomlist "$atom [$cmd $phase $atom y] $phase"
1124	}
1125	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
1126	} elseif {$expgui(asorttype) == "z"} {
1127	# sort on z
1128	set coordhead "(z*)"
1129	foreach atom $expmap(atomlist_$phase) {
1130	lappend atomlist "$atom [$cmd $phase $atom z] $phase"
1131	}
1132	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
1133	} else {
1134	error "Bad expgui(asorttype) = $expgui(asorttype)"
1135	}
1136
1137	set expgui(atomlistboxline) {}
1138	# loop over atoms
1139	foreach tuple $expmap(atomlistboxcontents) {
1140	set atom [lindex $tuple 0]
1141	set phase [lindex $tuple 2]
1142	lappend expgui(atomlistboxline) $atom
1143	$expgui(atomlistbox) insert end \
1144	[FormatAtomLine $atom $phase maxline]
1145	}
1146	$expgui(atomtitle) delete 0 end
1147
1148	# create the header
1149	if {$mm} {
1150	$expgui(atomtitle) insert end [format "%12s %9s %6s %8s%29s %4s %s" \
1151	$namehead $reshead $typehead "ref/damp " \
1152	"fractional coordinates$coordhead" \
1153	"$frachead" \
1154	" Uiso"]
1155	donewait
1156	} elseif {$maxline == "A"} {
1157	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
1158	$namehead $typehead "ref/damp " \
1159	"fractional coordinates$coordhead" \
1160	"$multhead $frachead" \
1161	" Uiso/Uij "]
1162	} else {
1163	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
1164	$namehead $typehead "ref/damp " \
1165	"fractional coordinates$coordhead" \
1166	"$multhead $frachead" \
1167	" Uiso"]
1168	}
1169	if {$mode != "reset"} {
1170	# restore the selected items
1171	foreach i $expgui(selectedatomlist) {
1172	$expgui(atomlistbox) selection set $i
1173	}
1174	# restore the last scrolled position
1175	$expgui(atomlistbox) yview moveto $pos
1176	}
1177	# clear the reentry flag
1178	set expgui(noreenterDisplayAllAtoms) 0
1179	}
1180
1181	proc FormatAtomLine {atom phase maxline_var} {
1182	global expmap
1183	if {[lindex $expmap(phasetype) [expr {$phase - 1}]] == 4} {
1184	foreach type {x u f} {
1185	if {[mmatominfo $phase $atom ${type}ref]} {
1186	append refflag "[string toupper $type][mmatominfo $phase $atom ${type}damp] "
1187	} else {
1188	append refflag " [mmatominfo $phase $atom ${type}damp] "
1189	}
1190	}
1191	set line [format \
1192	"%5d %-6s %-3s%-2s%4d %-6s %8s %9.5f%9.5f%9.5f%8.4f %7.4f" \
1193	$atom \
1194	[mmatominfo $phase $atom label] \
1195	[mmatominfo $phase $atom residue] \
1196	[mmatominfo $phase $atom group] \
1197	[mmatominfo $phase $atom resnum] \
1198	[mmatominfo $phase $atom type] \
1199	$refflag \
1200	[mmatominfo $phase $atom x] \
1201	[mmatominfo $phase $atom y] \
1202	[mmatominfo $phase $atom z] \
1203	[mmatominfo $phase $atom frac] \
1204	[mmatominfo $phase $atom Uiso]
1205	]
1206	} elseif {[atominfo $phase $atom temptype] == "A"} {
1207	foreach type {x u f} {
1208	if {[atominfo $phase $atom ${type}ref]} {
1209	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
1210	} else {
1211	append refflag " [atominfo $phase $atom ${type}damp] "
1212	}
1213	}
1214	# want to set maxline in parent
1215	upvar $maxline_var maxline
1216	set maxline A
1217	# aniso
1218	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
1219	$atom \
1220	[atominfo $phase $atom label] \
1221	[atominfo $phase $atom type] \
1222	$refflag \
1223	[atominfo $phase $atom x] \
1224	[atominfo $phase $atom y] \
1225	[atominfo $phase $atom z] \
1226	[atominfo $phase $atom mult] \
1227	[atominfo $phase $atom frac]
1228	]
1229	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
1230	[atominfo $phase $atom U11] \
1231	[atominfo $phase $atom U22] \
1232	[atominfo $phase $atom U33] \
1233	[atominfo $phase $atom U12] \
1234	[atominfo $phase $atom U23] \
1235	[atominfo $phase $atom U13]
1236	]
1237	} else {
1238	foreach type {x u f} {
1239	if {[atominfo $phase $atom ${type}ref]} {
1240	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
1241	} else {
1242	append refflag " [atominfo $phase $atom ${type}damp] "
1243	}
1244	}
1245	set line [format \
1246	"%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f %9.5f" \
1247	$atom \
1248	[atominfo $phase $atom label] \
1249	[atominfo $phase $atom type] \
1250	$refflag \
1251	[atominfo $phase $atom x] \
1252	[atominfo $phase $atom y] \
1253	[atominfo $phase $atom z] \
1254	[atominfo $phase $atom mult] \
1255	[atominfo $phase $atom frac] \
1256	[atominfo $phase $atom Uiso]
1257	]
1258	}
1259	return $line
1260	}
1261
1262	# update the display of atom as they are changed
1263	proc UpdateAtomLine {atomlist phase} {
1264	global expgui
1265	# for lots of atoms, it is faster to repaint the listbox
1266	if {[llength $atomlist] > 25} {
1267	DisplayAllAtoms $expgui(curPhase) noreset
1268	return
1269	}
1270	foreach atom $atomlist {
1271	set linenum [lsearch -exact $expgui(atomlistboxline) $atom]
1272	$expgui(atomlistbox) delete $linenum
1273	$expgui(atomlistbox) insert $linenum \
1274	[FormatAtomLine $atom $phase maxline]
1275	}
1276	# restore the selected items
1277	foreach i $expgui(selectedatomlist) {
1278	$expgui(atomlistbox) selection set $i
1279	}
1280	}
1281
1282	# Procedure to select all atoms in response to a right-click
1283	proc SelectAllAtoms {} {
1284	global expgui
1285	$expgui(atomlistbox) selection set 0 end
1286	# call editRecord in case trace was called before the selection was made
1287	editRecord
1288	}
1289
1290	# Procedure to respond to left mouse release in the atoms Pane
1291	proc editRecord { args } {
1292	global entrycmd expgui
1293	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
1294	# disable traces on entryvar for right now
1295	set entrycmd(trace) 0
1296
1297	if {[llength $expgui(selectedatomlist)] == 0} {
1298	if $expgui(debug) {error "Attempt display non-existent atoms"}
1299	} elseif {[llength $expgui(selectedatomlist)] == 1} {
1300	editOneRecord $expgui(selectedatomlist)
1301	} else {
1302	editMultipleRecords $expgui(selectedatomlist)
1303	}
1304	# reenable traces on entryvar
1305	set entrycmd(trace) 1
1306	# repaint the atoms box in case anything was changed
1307	# DisplayAllAtoms noreset
1308	}
1309
1310	proc editOneRecord { AtomIndex } {
1311	global expmap expgui
1312	# get atom number & phase
1313	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1314	set atomnum [lindex $tuple 0]
1315	set p [lindex $tuple 2]
1316	DisplayU $atomnum $p
1317	DisplayAtom $atomnum $p
1318	DisplayRefFlags $atomnum $p
1319	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
1320	$expgui(atomxform) config -text "Xform Atom" -state normal
1321	}
1322
1323	# this will not work for a multi-phase list of atoms (yet)
1324	proc editMultipleRecords { AtomIndexList } {
1325	global expmap expgui
1326	set numberList {}
1327	# current phase
1328	set p $expgui(curPhase)
1329	foreach AtomIndex $AtomIndexList {
1330	# get atom number & phase
1331	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1332	lappend numberList [lindex $tuple 0]
1333	# set p [lindex $tuple 2]
1334	}
1335	# this needs to track by phase
1336	$expgui(EditingAtoms) config -text \
1337	"Set refinement options: atoms [CompressList $numberList]"
1338	DisplayU 0 0
1339	DisplayAtom 0 0
1340	# this needs to track by phase
1341	DisplayRefFlags $numberList $p
1342	$expgui(atomxform) config -text "Xform Atoms" -state normal
1343	}
1344
1345	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
1346	# becomes "1-4,6,7,13-15,19"
1347	proc CompressList {numberList "max 9999"} {
1348	# format the number list to save space
1349	set lastnum -99
1350	set flist {}
1351	set count 0
1352	set length 0
1353	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
1354	foreach num $sortlist {
1355	set next [expr $lastnum+1]
1356	if {$num != $next} {
1357	if {$count == 0 && $flist != ""} {
1358	if {[string length $flist] - $length > $max} {
1359	set length [string length $flist]
1360	append flist ",\n$num"
1361	} else {
1362	append flist ",$num"
1363	}
1364	} elseif {$count == 1 && $flist != ""} {
1365	if {[string length $flist] - $length > $max} {
1366	set length [string length $flist]
1367	append flist ",$lastnum,\n$num"
1368	} else {
1369	append flist ",$lastnum,$num"
1370	}
1371	} elseif {$flist != ""} {
1372	if {[string length $flist] - $length > $max} {
1373	set length [string length $flist]
1374	append flist "-$lastnum,\n$num"
1375	} else {
1376	append flist "-$lastnum,$num"
1377	}
1378	} else {
1379	append flist "$num"
1380	}
1381	set lastnum $num
1382	set count 0
1383	} else {
1384	incr count
1385	incr lastnum
1386	}
1387	}
1388	if {$count == 1 && $flist != ""} {
1389	append flist ",$lastnum"
1390	} elseif {$flist != "" && $count > 1} {
1391	append flist "-$lastnum"
1392	}
1393	return $flist
1394	}
1395
1396	# Procedure to display Isotropic or Anisotropic temperature factors
1397	# Changes the display to one entry widget for Isotropic motion OR
1398	# 6 entry widgets for Anisotropic motion in Frame3.
1399	# or disables the widet entirly if atom = 0
1400	proc DisplayU { atomnum p} {
1401	global expgui entryvar entrycmd expmap
1402	set mm 0
1403	if {$atomnum == 0} {
1404	set iOrA disable
1405	} elseif {[lindex $expmap(phasetype) 0] == 4} {
1406	set mm 1
1407	set iOrA I
1408	} else {
1409	set iOrA [atominfo $p $atomnum temptype]
1410	}
1411
1412	set firstbox [lindex $expgui(anisolabels) 0]
1413	if { $iOrA == "A" } {
1414	$firstbox config -text "U11 "
1415	foreach item $expgui(anisolabels) {
1416	$item config -fg black
1417	}
1418	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1419	set entrycmd($var) "atominfo $p $atomnum $var"
1420	set entryvar($var) [eval $entrycmd($var)]
1421	$item config -fg black -state normal -bg white
1422	}
1423	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1424	foreach item $expgui(anisolabels) {
1425	$item config -fg $expgui(bkgcolor1)
1426	}
1427	foreach item [lrange $expgui(anisoentry) 1 end] \
1428	var {U22 U33 U12 U13 U23} {
1429	set entrycmd($var) ""
1430	set entryvar($var) ""
1431	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1432	-state disabled
1433	}
1434	if { $iOrA == "disable"} {
1435	set entrycmd($var) ""
1436	set entryvar($var) ""
1437	[lindex $expgui(anisoentry) 0] config \
1438	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1439	-state disabled
1440	} elseif {$mm} {
1441	set entrycmd(U11) "mmatominfo $p $atomnum Uiso"
1442	set entryvar(U11) [eval $entrycmd(U11)]
1443	$firstbox config -text Uiso -fg black
1444	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1445	} else {
1446	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1447	set entryvar(U11) [eval $entrycmd(U11)]
1448	$firstbox config -text Uiso -fg black
1449	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1450	}
1451	}
1452	}
1453
1454	# need to think about multiple phases
1455
1456	# Procedure to display refinement flags
1457	proc DisplayRefFlags { atomnum p} {
1458	global expgui entryvar entrycmd expmap
1459	if {$atomnum == 0} {
1460	foreach label $expgui(atomreflbl) {
1461	$label config -fg $expgui(bkgcolor1)
1462	}
1463	foreach entry $expgui(atomref) {
1464	$entry config -state disabled \
1465	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1466	# turn off checkbuttons
1467	catch {$entry deselect}
1468
1469	}
1470	return
1471	}
1472	foreach label $expgui(atomreflbl) {
1473	$label config -fg black
1474	}
1475	foreach entry $expgui(atomref) {
1476	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1477	}
1478	if {[lindex $expmap(phasetype) 0] == 4} {
1479	foreach var {xref uref fref xdamp udamp fdamp} {
1480	set entrycmd($var) "mmatominfo $p [list $atomnum] $var"
1481	set entryvar($var) [eval $entrycmd($var)]
1482	}
1483	} else {
1484	foreach var {xref uref fref xdamp udamp fdamp} {
1485	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1486	set entryvar($var) [eval $entrycmd($var)]
1487	}
1488	}
1489	}
1490
1491	# Procedure to display an atom in the atom edit boxes
1492	proc DisplayAtom { atomnum p} {
1493	global expgui entryvar entrycmd expmap
1494	if {$atomnum == 0} {
1495	foreach label $expgui(atomlabels) {
1496	$label config -fg $expgui(bkgcolor1)
1497	}
1498	foreach entry $expgui(atomentry) {
1499	$entry config -state disabled \
1500	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1501	}
1502	return
1503	}
1504	foreach label $expgui(atomlabels) {
1505	$label config -fg black
1506	}
1507	foreach entry $expgui(atomentry) {
1508	$entry config -state normal -fg black -bg white
1509	}
1510	if {[lindex $expmap(phasetype) 0] == 4} {
1511	foreach var {x y z label frac } {
1512	set entrycmd($var) "mmatominfo $p $atomnum $var"
1513	set entryvar($var) [eval $entrycmd($var)]
1514	}
1515	} else {
1516	foreach var {x y z label frac } {
1517	set entrycmd($var) "atominfo $p $atomnum $var"
1518	set entryvar($var) [eval $entrycmd($var)]
1519	}
1520	}
1521	}
1522
1523	# make a histogram box; used in MakeHistPane,
1524	proc MakeHistBox {frm} {
1525	global expgui
1526	grid [label $frm.mode -text "Select a Histogram" \
1527	-bg beige -anchor center] \
1528	-row 0 -column 0 -columnspan 2 -sticky ew
1529	bind $frm.mode <Button-1> {
1530	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1531	set expgui(globalmode) [lindex \
1532	"$expgui(AllowedHistSelectModes) \
1533	$expgui(AllowedHistSelectModes)" [incr i]]
1534	sethistlist
1535	}
1536	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1537	grid [listbox $frm.title -height 1 -relief flat \
1538	-exportselection 0 ] -row 1 -column 0 -sticky ew
1539	grid [listbox $frm.lbox -height 10 -width 25 \
1540	-exportselection 0 \
1541	-xscrollcommand "$frm.x set" \
1542	-yscrollcommand "$frm.y set" \
1543	] -row 2 -column 0 -sticky news
1544	lappend expgui(HistSelectList) $frm
1545	grid [scrollbar $frm.x -orient horizontal \
1546	-command "move2boxesX \" $frm.title $frm.lbox \" "
1547	] -row 3 -column 0 -sticky ew
1548	grid [scrollbar $frm.y \
1549	-command "$frm.lbox yview"] \
1550	-row 2 -column 1 -sticky ns
1551	grid columnconfigure $frm 0 -weight 1
1552	grid rowconfigure $frm 2 -weight 1
1553	}
1554
1555	# update the histogram list
1556	# to do: show histogram ref flags?
1557	proc sethistlist {} {
1558	global expgui expmap
1559	array set lbl {
1560	1 "Select 1 or more\nTOF Histograms"
1561	2 "Select 1 or more\nCW Neutron Histograms"
1562	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1563	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1564	5 "Select 1 or more Energy\nDispersive X-ray Histograms"
1565	6 "Select 1 or more of\n any type Histograms"
1566	}
1567	foreach lbox $expgui(HistSelectList) {
1568	$lbox.title delete 0 end
1569	$lbox.lbox delete 0 end
1570	if {$expgui(globalmode) != 0} {
1571	$lbox.lbox config -selectmode extended
1572	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1573	} else {
1574	$lbox.lbox config -selectmode browse
1575	$lbox.mode config -text "Select a histogram" -bg beige
1576	}
1577	}
1578	# disable the unallowed pages in all mode
1579	if {$expgui(globalmode) == 6} {
1580	foreach pair $expgui(GlobalModeAllDisable) {
1581	if {$expgui(pagenow) == [lindex $pair 0]} {
1582	RaisePage lsFrame
1583	}
1584	eval [lindex $pair 1] -state disabled
1585	}
1586	} else {
1587	foreach pair $expgui(GlobalModeAllDisable) {
1588	eval [lindex $pair 1] -state normal
1589	}
1590	}
1591	set histlist {}
1592	if {$expgui(hsorttype) == "type"} {
1593	# sort on histogram type
1594	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1595	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1596	}
1597	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1598	} elseif {$expgui(hsorttype) == "number"} {
1599	# sort on histogram number
1600	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1601	lappend histlist "$h $h"
1602	}
1603	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1604	} elseif {$expgui(hsorttype) == "bank"} {
1605	# sort on original bank number
1606	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1607	lappend histlist "$h [histinfo $h bank]"
1608	}
1609	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1610	} elseif {$expgui(hsorttype) == "angle"} {
1611	# sort on wavelength (CW) or angle (E disp.)
1612	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1613	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1614	set det [format %8.2f [histinfo $h tofangle]]
1615	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1616	set det [format %8.5f [histinfo $h lam1]]
1617	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1618	set det [format %8.2f [histinfo $h lam1]]
1619	} else {
1620	set det {}
1621	}
1622	lappend histlist "$h $det"
1623	}
1624	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1625	}
1626
1627	# title field needs to match longest title
1628	foreach lbox $expgui(HistSelectList) {
1629	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1630	"h#" \
1631	type \
1632	bank \
1633	"ang/wave" \
1634	" title" \
1635	]
1636	}
1637	foreach tuple $expmap(histlistboxcontents) {
1638	set h [lindex $tuple 0]
1639
1640	if {$expgui(globalmode) == 1} {
1641	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1642	} elseif {$expgui(globalmode) == 2} {
1643	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1644	} elseif {$expgui(globalmode) == 3} {
1645	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1646	[histinfo $h lam2] == 0.0} continue
1647	} elseif {$expgui(globalmode) == 4} {
1648	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1649	[histinfo $h lam2] != 0.0} continue
1650	} elseif {$expgui(globalmode) == 5} {
1651	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1652	}
1653
1654	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1655	set det [format %8.2f [histinfo $h tofangle]]
1656	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1657	set det [format %8.5f [histinfo $h lam1]]
1658	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1659	set det [format %8.2f [histinfo $h lam1]]
1660	} else {
1661	set det {}
1662	}
1663	foreach lbox $expgui(HistSelectList) {
1664	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1665	$h \
1666	[string range $expmap(htype_$h) 1 3] \
1667	[histinfo $h bank] \
1668	$det \
1669	[string range [histinfo $h title] 0 66] \
1670	]
1671	}
1672	}
1673	UpdateCurrentPage
1674	}
1675
1676	proc UpdateCurrentPage {} {
1677	global expgui
1678	foreach set $expgui(frameactionlist) {
1679	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1680	}
1681	}
1682
1683	#-----------------------------------------------------------------------
1684	# ----------- draw Histogram page
1685	#-----------------------------------------------------------------------
1686	proc DisplayHistogram {} {
1687	global expgui entrycmd entryvar entrybox expmap
1688
1689	# trap if more than one histogram is selected unless global mode
1690	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1691	set expgui(curhist) [lindex $expgui(curhist) 0]
1692	}
1693
1694	# disable the add histogram button if no phases are present
1695	catch {
1696	foreach c [winfo children $expgui(histFrame).bb] {
1697	if {[llength $expmap(phaselist)] == 0} {
1698	$c configure -state disabled
1699	} else {
1700	$c configure -state normal
1701	}
1702	}
1703	}
1704
1705	# display the selected histograms
1706	$expgui(histFrame).hs.lbox selection clear 0 end
1707	foreach h $expgui(curhist) {
1708	$expgui(histFrame).hs.lbox selection set $h
1709	}
1710
1711	# disable traces on entryvar for right now
1712	set entrycmd(trace) 0
1713
1714	# get histogram list
1715	set histlist {}
1716	foreach item $expgui(curhist) {
1717	lappend histlist [lindex $expmap(powderlist) $item]
1718	}
1719	# must have at least one histogram selected here
1720	if {[llength $histlist] == 0} {
1721	set expgui(backtermlbl) ""
1722	set expgui(backtypelbl) ""
1723	foreach var {bref bdamp absref absdamp} {
1724	set entrycmd($var) ""
1725	set entryvar($var) ""
1726	}
1727	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1728	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1729	set expgui(bkglbl) ""
1730	set expgui(abslbl) ""
1731	eval destroy [winfo children $expgui(diffBox)]
1732	set entrycmd(trace) 1
1733	return
1734	}
1735
1736	if {$expgui(globalmode) != 0} {
1737	set expgui(backtermlbl) ""
1738	set expgui(backtypelbl) ""
1739	foreach var {bref bdamp absref absdamp} {
1740	set entrycmd($var) "histinfo [list $histlist] $var"
1741	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1742	}
1743	} else {
1744	set hist $histlist
1745	set terms [histinfo $hist backterms]
1746	set expgui(backtermlbl) "($terms terms)"
1747	# background type 3 & 9 have gone away
1748	if {[histinfo $hist backtype] == 3 \|\| [histinfo $hist backtype] == 9} {
1749	MyMessageBox -parent . -title "Background Change" \
1750	-type ok -default ok \
1751	-icon warning \
1752	-message "Background function #[histinfo $hist backtype] is no longer supported -- the function will now be changed to type #1 & the values reset"
1753	histinfo $histlist backtype set 1
1754	incr expgui(changed)
1755	for {set num 1 } { $num <= $terms } { incr num } {
1756	set var "bterm$num"
1757	histinfo $histlist $var set 0
1758	incr expgui(changed)
1759	}
1760	}
1761	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1762	foreach var {bref bdamp absref absdamp} {
1763	set entrycmd($var) "histinfo $hist $var"
1764	set entryvar($var) [eval $entrycmd($var)]
1765	}
1766	}
1767	# Top box
1768	if $expgui(haveBW) {
1769	catch {destroy $expgui(histFrame).pflag}
1770	}
1771	if {$expgui(globalmode) != 0} {
1772	$expgui(histFrame).top.txt config \
1773	-text "Selected Histograms: [CompressList $histlist]"
1774	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1775	set expgui(bkglbl) "Globally Edit Background"
1776	set expgui(abslbl) "Globally Edit Absorption"
1777	} else {
1778	grid forget $expgui(histFrame).top
1779	set expgui(bkglbl) "Edit Background"
1780	set expgui(abslbl) "Edit Abs./Refl."
1781	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1782	TitleFrame $expgui(histFrame).pflag \
1783	-borderwidth 4 -side left -relief groove \
1784	-text "Phase Flags"
1785	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1786	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1787	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1788	foreach p $expmap(phaselist) {
1789	pack [checkbutton $expgui(pflag).$p \
1790	-command "GetPhaseFlags $hist" \
1791	-variable expgui(pflag$p) -text $p] -side left
1792	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1793	set expgui(pflag$p) 0
1794	} else {
1795	set expgui(pflag$p) 1
1796	}
1797	}
1798	}
1799	}
1800
1801	# diffractometer constants
1802	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1803	wref pref dcref daref ratref ttref zref } {
1804	set entrycmd($var) "histinfo [list $histlist] $var"
1805	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1806	}
1807
1808	eval destroy [winfo children $expgui(diffBox)]
1809	if {$expgui(globalmode) == 0} {
1810	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1811	#------
1812	# TOF \|
1813	#------
1814	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1815	-column 1 -row 1
1816	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1817	-column 2 -row 1
1818	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1819	-column 3 -row 1 -sticky w
1820	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1821	-width 15 ] -column 4 -row 1
1822	set entrybox(lam1) $expgui(diffBox).eDCdifc
1823	#
1824	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1825	-column 1 -row 2
1826	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1827	-column 2 -row 2
1828	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1829	-column 3 -row 2
1830	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1831	-width 15 ] -column 4 -row 2
1832	set entrybox(lam2) $expgui(diffBox).eDCdifa
1833	#
1834	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1835	-column 3 -row 3
1836	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1837	-width 15 ] -column 4 -row 3
1838	set entrybox(zero) $expgui(diffBox).eDCzero
1839	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1840	-column 1 -row 3 -sticky w
1841	grid [ checkbutton $expgui(diffBox).rfDCzref \
1842	-variable entryvar(zref) ] -column 2 -row 3
1843	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1844	#---------------
1845	# CW - neutron \|
1846	#---------------
1847	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1848	-column 1 -row 1
1849	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1850	-column 2 -row 1
1851	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1852	-column 3 -row 1 -sticky w
1853	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1854	-width 15 ] -column 4 -row 1
1855	set entrybox(lam1) $expgui(diffBox).eDCdifc
1856	#
1857	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1858	-column 1 -row 3 -sticky w
1859	grid [ checkbutton $expgui(diffBox).rfDCzref \
1860	-variable entryvar(zref) ] -column 2 -row 3
1861	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1862	-column 3 -row 3
1863	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1864	-width 15 ] -column 4 -row 3
1865	set entrybox(zero) $expgui(diffBox).eDCzero
1866	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1867	[histinfo $hist lam2] == 0.0} {
1868	#--------------------------
1869	# CW - x-ray 1 wavelength \|
1870	#--------------------------
1871	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1872	-column 1 -row 1
1873	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1874	-column 2 -row 1
1875	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1876	-column 3 -row 1 -sticky w
1877	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1878	-width 15 ] -column 4 -row 1
1879	set entrybox(lam1) $expgui(diffBox).eDCdifc
1880	#
1881	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1882	-column 1 -row 3 -sticky w
1883	grid [ checkbutton $expgui(diffBox).rfDCzref \
1884	-variable entryvar(zref) ] -column 2 -row 3
1885	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1886	-column 3 -row 3
1887	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1888	-width 15 ] -column 4 -row 3
1889	set entrybox(zero) $expgui(diffBox).eDCzero
1890	#
1891	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1892	-column 1 -row 4 -sticky w
1893	grid [ checkbutton $expgui(diffBox).rfDCpref \
1894	-variable entryvar(pref) ] -column 2 -row 4
1895	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1896	-column 3 -row 4
1897	grid [ entry $expgui(diffBox).eDCpola \
1898	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1899	set entrybox(pola) $expgui(diffBox).eDCpola
1900	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1901	-column 5 -row 4
1902	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1903	-textvariable entryvar(ipola)] -column 6 -row 4
1904	set entrybox(ipola) $expgui(diffBox).eDCipola
1905	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1906	#---------------------------
1907	# CW - x-ray 2 wavelengths \|
1908	#---------------------------
1909	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1910	-column 3 -row 1 -sticky w
1911	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1912	-width 15 ] -column 4 -row 1
1913	set entrybox(lam1) $expgui(diffBox).eDCdifc
1914	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1915	-width 15 ] -column 5 -row 1
1916	set entrybox(lam2) $expgui(diffBox).eDCdifa
1917	#
1918	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1919	-column 1 -row 2 -sticky w
1920	grid [ checkbutton $expgui(diffBox).rfDCrref \
1921	-variable entryvar(ratref) ] -column 2 -row 2
1922	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1923	-column 3 -row 2
1924	grid [ entry $expgui(diffBox).eDCkratio \
1925	-textvariable entryvar(kratio) \
1926	-width 15 ] -column 4 -row 2
1927	set entrybox(kratio) $expgui(diffBox).eDCkratio
1928	#
1929	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1930	-column 3 -row 3
1931	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1932	-width 15 ] -column 4 -row 3
1933	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1934	-column 1 -row 3 -sticky w
1935	set entrybox(zero) $expgui(diffBox).eDCzero
1936	grid [ checkbutton $expgui(diffBox).rfDCzref \
1937	-variable entryvar(zref) ] -column 2 -row 3
1938	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1939	-column 1 -row 4 -sticky w
1940	grid [ checkbutton $expgui(diffBox).rfDCpref \
1941	-variable entryvar(pref) ] -column 2 -row 4
1942	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1943	-column 3 -row 4
1944	grid [ entry $expgui(diffBox).eDCpola \
1945	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1946	set entrybox(pola) $expgui(diffBox).eDCpola
1947	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1948	-column 5 -row 4
1949	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1950	-textvariable entryvar(ipola)] -column 6 -row 4
1951	set entrybox(ipola) $expgui(diffBox).eDCipola
1952	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1953	#-------------
1954	# ED - x-ray \|
1955	#-------------
1956	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1957	-column 1 -row 1
1958	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1959	-column 2 -row 1
1960	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1961	-column 3 -row 1 -sticky w
1962	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1963	-width 15 ] -column 4 -row 1
1964	set entrybox(lam1) $expgui(diffBox).eDCdifc
1965	#
1966	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1967	-column 1 -row 4 -sticky w
1968	grid [ checkbutton $expgui(diffBox).rfDCpref \
1969	-variable entryvar(pref) ] -column 2 -row 4
1970	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1971	-column 3 -row 4
1972	grid [ entry $expgui(diffBox).eDCpola \
1973	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1974	set entrybox(pola) $expgui(diffBox).eDCpola
1975	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1976	-column 5 -row 4
1977	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1978	-textvariable entryvar(ipola)] -column 6 -row 4
1979	set entrybox(ipola) $expgui(diffBox).eDCipola
1980	}
1981	} elseif {$expgui(globalmode) == 1} {
1982	#-------------
1983	# Global TOF \|
1984	#-------------
1985	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1986	-column 1 -row 1
1987	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1988	-column 2 -row 1
1989	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1990	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1991	#
1992	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1993	-column 1 -row 2
1994	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1995	-column 2 -row 2
1996	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1997	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1998	#
1999	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
2000	-column 1 -row 3 -sticky w
2001	grid [ checkbutton $expgui(diffBox).rfDCzref \
2002	-variable entryvar(zref) ] -column 2 -row 3
2003	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
2004	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
2005	} elseif {$expgui(globalmode) == 2} {
2006	#--------------------
2007	# Global CW neutron \|
2008	#--------------------
2009	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
2010	-column 1 -row 1
2011	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
2012	-column 2 -row 1
2013	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
2014	-command "editglobalparm histinfo lam1 Wavelength"] \
2015	-column 3 -row 1
2016	#
2017	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
2018	-column 1 -row 3 -sticky w
2019	grid [ checkbutton $expgui(diffBox).rfDCzref \
2020	-variable entryvar(zref) ] -column 2 -row 3
2021	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
2022	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
2023	} elseif {$expgui(globalmode) == 4} {
2024	#----------------------
2025	# Global CW mono xray \|
2026	#----------------------
2027	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
2028	-column 1 -row 1
2029	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
2030	-column 2 -row 1
2031	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
2032	-command "editglobalparm histinfo lam1 Wavelength"] \
2033	-column 3 -row 1
2034	#
2035	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
2036	-column 1 -row 3 -sticky w
2037	grid [ checkbutton $expgui(diffBox).rfDCzref \
2038	-variable entryvar(zref) ] -column 2 -row 3
2039	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
2040	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
2041	#
2042	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
2043	-column 1 -row 4 -sticky w
2044	grid [ checkbutton $expgui(diffBox).rfDCpref \
2045	-variable entryvar(pref) ] -column 2 -row 4
2046	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
2047	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
2048	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
2049	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
2050	} elseif {$expgui(globalmode) == 3} {
2051	#------------------------
2052	# Global alpha 1,2 xray \|
2053	#------------------------
2054	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
2055	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
2056	-column 3 -row 1
2057	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
2058	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
2059	-column 4 -row 1
2060	#
2061	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
2062	-column 1 -row 2 -sticky w
2063	grid [ checkbutton $expgui(diffBox).rfDCratref \
2064	-variable entryvar(ratref) ] -column 2 -row 2
2065	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
2066	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
2067	-column 3 -row 2
2068	#
2069	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
2070	-column 1 -row 3 -sticky w
2071	grid [ checkbutton $expgui(diffBox).rfDCzref \
2072	-variable entryvar(zref) ] -column 2 -row 3
2073	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
2074	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
2075	#
2076	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
2077	-column 1 -row 4 -sticky w
2078	grid [ checkbutton $expgui(diffBox).rfDCpref \
2079	-variable entryvar(pref) ] -column 2 -row 4
2080	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
2081	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
2082	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
2083	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
2084	} elseif {$expgui(globalmode) == 5} {
2085	#-----------------
2086	# Global ED xray \|
2087	#-----------------
2088	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
2089	-column 1 -row 1
2090	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
2091	-column 2 -row 1
2092	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
2093	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
2094	-column 3 -row 1
2095	#
2096	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
2097	-column 1 -row 4 -sticky w
2098	grid [ checkbutton $expgui(diffBox).rfDCpref \
2099	-variable entryvar(pref) ] -column 2 -row 4
2100	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
2101	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
2102	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
2103	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
2104	}
2105	if {$expgui(globalmode) == 0} {
2106	grid [frame $expgui(diffBox).d] -column 5 -row 1 -rowspan 3 \
2107	-columnspan 2 -sticky e
2108	} else {
2109	grid [frame $expgui(diffBox).d] -column 4 -row 2 -rowspan 2 \
2110	-columnspan 2 -sticky e
2111	}
2112	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
2113	-column 1 -row 1
2114	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
2115	grid $expgui(diffBox).d.om -column 2 -row 1
2116	grid columnconfigure $expgui(diffBox) 9 -weight 1
2117	grid columnconfigure $expgui(diffBox) 0 -weight 1
2118	update idletasks
2119	# enable traces on entryvar now
2120	set entrycmd(trace) 1
2121	}
2122
2123	# this gets the phase flags as set in the expgui(pflag*) elements
2124	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
2125	# accordingly using SetPhaseFlag
2126	proc GetPhaseFlags {hist} {
2127	global expmap expgui
2128	set plist {}
2129	foreach p $expmap(phaselist) {
2130	if {$expgui(pflag$p)} {lappend plist $p}
2131	}
2132	SetPhaseFlag $hist $plist
2133	incr expgui(changed)
2134	# set the powpref warning (1 = suggested)
2135	set expgui(needpowpref) 2
2136	set msg "Phase flags"
2137	if {[string first $msg $expgui(needpowpref_why)] == -1} {
2138	append expgui(needpowpref_why) "\t$msg were changed\n"
2139	}
2140	mapexp
2141	}
2142
2143	#-----------------------------------------------------------------------
2144	# populate the Scaling page
2145	#-----------------------------------------------------------------------
2146	proc DisplayFrac {} {
2147	global expgui entrycmd entryvar entrybox expmap
2148
2149	# trap if more than one histogram is selected unless global mode
2150	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
2151	set expgui(curhist) [lindex $expgui(curhist) 0]
2152	}
2153
2154	# display the selected histograms
2155	$expgui(fracFrame).hs.lbox selection clear 0 end
2156	foreach h $expgui(curhist) {
2157	$expgui(fracFrame).hs.lbox selection set $h
2158	}
2159
2160	# disable traces on entryvar
2161	set entrycmd(trace) 0
2162
2163	# get histogram list
2164	set histlist {}
2165	foreach item $expgui(curhist) {
2166	lappend histlist [lindex $expmap(powderlist) $item]
2167	}
2168
2169	# must have at least one histogram selected here
2170	if {[llength $histlist] == 0} {
2171	foreach var {scale sref sdamp} {
2172	set entrycmd($var) ""
2173	set entryvar($var) ""
2174	}
2175	set parm [grid info $expgui(scaleBox).but1]
2176	if {$parm != ""} {
2177	grid forget $expgui(scaleBox).but1
2178	eval grid $expgui(scaleBox).ent1 $parm
2179	}
2180	# destroy the contents of the frame
2181	set phaseFractf1 $expgui(FracBox).f
2182	eval destroy [winfo children $phaseFractf1]
2183	# reenable traces on entryvar
2184	set entrycmd(trace) 1
2185	return
2186	}
2187
2188	#--------------
2189	# Scale factor
2190	#--------------
2191	if {$expgui(globalmode) != 0} {
2192	foreach var {scale sref sdamp} {
2193	set entrycmd($var) "histinfo [list $histlist] $var"
2194	set entryvar($var) [histinfo [lindex $histlist 0] $var]
2195	}
2196	# reset scale to black
2197	catch {$entrybox(scale) config -fg black}
2198	set parm [grid info $expgui(scaleBox).ent1]
2199	if {$parm != ""} {
2200	grid forget $expgui(scaleBox).ent1
2201	eval grid $expgui(scaleBox).but1 $parm
2202	}
2203	} else {
2204	set hist $histlist
2205	foreach var {scale sref sdamp} {
2206	set entrycmd($var) "histinfo $hist $var"
2207	set entryvar($var) [eval $entrycmd($var)]
2208	}
2209	# reset scale to black
2210	catch {$entrybox(scale) config -fg black}
2211	set parm [grid info $expgui(scaleBox).but1]
2212	if {$parm != ""} {
2213	grid forget $expgui(scaleBox).but1
2214	eval grid $expgui(scaleBox).ent1 $parm
2215	}
2216	}
2217
2218	#----------------
2219	# Phase Fractions
2220	#----------------
2221	set phaseFractf1 $expgui(FracBox).f
2222	# destroy the contents of the frame
2223	eval destroy [winfo children $phaseFractf1]
2224	if {$expgui(globalmode) != 0} {
2225	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
2226	} else {
2227	set txt "Phase Fractions"
2228	}
2229	if $expgui(haveBW) {
2230	$expgui(fracFrame).f1.phaseFrac configure -text $txt
2231	} else {
2232	grid [label $phaseFractf1.txt -anchor center -text $txt] \
2233	-column 0 -row 0 -sticky news
2234	}
2235	# Create the frame inside the canvas, One frame for each Phase.
2236	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
2237	foreach hist $histlist {
2238	foreach i $expmap(phaselist_$hist) {
2239	lappend phasehistlist($i) $hist
2240	}
2241	}
2242	foreach i {1 2 3 4 5 6 7 8 9} {
2243	if {[llength $phasehistlist($i)] == 0} continue
2244	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
2245	grid $framePF -column 0 -row $i -sticky ew
2246	# Label Heading for each phase.
2247	if {$expgui(globalmode) != 0} {
2248	grid [label $framePF.l1 \
2249	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
2250	-column 0 -row 0 -sticky nws
2251	grid [button $framePF.but1 -text "Set Globally" \
2252	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
2253	[list $phasehistlist($i)] $i" \
2254	] -column 1 -row 0
2255	} else {
2256	grid [label $framePF.l1 -text "Phase $i"] \
2257	-column 0 -row 0 -sticky nws
2258	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
2259	-column 1 -row 0
2260	set entrybox(frac$i) $framePF.ent
2261	}
2262	set entrycmd(frac$i) "hapinfo $hist $i frac"
2263	set entryvar(frac$i) [hapinfo $hist $i frac]
2264	grid [label $framePF.l2 -text " Refine"] \
2265	-column 2 -row 0 -sticky nws
2266	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
2267	-column 3 -row 0 -sticky nws
2268	set entrycmd(frref$i) "hapinfo $hist $i frref"
2269	set entryvar(frref$i) [hapinfo $hist $i frref]
2270	grid [label $framePF.l3 -text " Damping"] \
2271	-column 4 -row 0 -sticky nws
2272	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
2273	0 1 2 3 4 5 6 7 8 9
2274	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
2275	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
2276	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
2277	}
2278	# resize the scroll window to match the actual
2279	update idletasks
2280	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
2281	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
2282	update idletasks
2283	# enable traces on entryvar now
2284	set entrycmd(trace) 1
2285	}
2286
2287	#-----------------------------------------------------------------------
2288	# display the profile page
2289	#-----------------------------------------------------------------------
2290	proc DisplayProfile {} {
2291	global expgui entrycmd entryvar entrybox expmap
2292
2293	# trap if more than one histogram is selected unless global mode
2294	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
2295	set expgui(curhist) [lindex $expgui(curhist) 0]
2296	}
2297	# display the selected histograms
2298	$expgui(profFrame).hs.lbox selection clear 0 end
2299	foreach h $expgui(curhist) {
2300	$expgui(profFrame).hs.lbox selection set $h
2301	}
2302
2303	# destroy the contents of the frame
2304	eval destroy [winfo children $expgui(ProfileBox).f]
2305	# since the next steps can take a while, do a screen update
2306	update idletasks
2307
2308	if {$expgui(globalmode) == 0} {
2309	# must have at least one histogram selected here
2310	if {[llength $expgui(curhist)] == 0} return
2311	# disable traces on entryvar for right now
2312	set entrycmd(trace) 0
2313	set hist [lindex $expmap(powderlist) $expgui(curhist)]
2314	# no defined histograms?
2315	if {$hist == ""} return
2316	# Create one frame for each Phase.
2317	set ind -1
2318	set htype [string range $expmap(htype_$hist) 2 2]
2319	foreach i $expmap(phaselist_$hist) {
2320	incr ind
2321	# Label Heading for each phase.
2322	set ptype [string trim [hapinfo $hist $i proftype]]
2323	if {$expgui(haveBW)} {
2324	grid [TitleFrame $expgui(ProfileBox).f.$i \
2325	-text "Hist $hist -- Phase $i (type $ptype)" \
2326	-relief groove -bd 2] \
2327	-column 0 -row $ind -sticky ew
2328	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2329	grid [frame $ProfileFrame.1] \
2330	-column 0 -row 0 -columnspan 10
2331	pack [label $ProfileFrame.1.l \
2332	-text Damping]\
2333	-side left
2334	} else {
2335	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
2336	-column 0 -row $ind -sticky ew
2337	set ProfileFrame $expgui(ProfileBox).f.$i
2338	grid [frame $ProfileFrame.1] \
2339	-column 0 -row 0 -columnspan 10 -sticky ew
2340	pack [label $ProfileFrame.1.l \
2341	-text "Phase $i (type $ptype) Damping"]\
2342	-side left
2343	}
2344	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
2345	0 1 2 3 4 5 6 7 8 9
2346	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
2347	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
2348	pack $ProfileFrame.1.tkOptDamp -side left
2349	pack [label $ProfileFrame.1.l1 \
2350	-text " Peak cutoff"]\
2351	-side left
2352	pack [entry $ProfileFrame.1.e1 \
2353	-width 10 -textvariable entryvar(pcut_$i)]\
2354	-side left
2355	set entrybox(pcut_$i) $ProfileFrame.1.e1
2356	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
2357	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
2358
2359	pack [button $ProfileFrame.1.b1 \
2360	-text "Change Type" \
2361	-command "ChangeProfileType $hist $i"]\
2362	-side left
2363
2364	set col -1
2365	set row 1
2366	set nterms [hapinfo $hist $i profterms]
2367	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
2368	for { set num 1 } { $num <= $nterms } { incr num } {
2369	set term {}
2370	catch {set term [lindex $lbls $num]}
2371	if {$term == ""} {set term $num}
2372	incr col
2373	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
2374	-row $row -column $col
2375	incr col
2376	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2377	-variable entryvar(pref${num}_$i)] -row $row -column $col
2378	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
2379	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
2380	incr col
2381	grid [entry $ProfileFrame.ent${num}_${i} \
2382	-textvariable entryvar(pterm${num}_$i)\
2383	-width 12] -row $row -column $col
2384	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
2385	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
2386	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
2387	if {$col > 6} {set col -1; incr row}
2388	}
2389	}
2390	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2391	} else {
2392	# get histogram list
2393	set histlist {}
2394	foreach item $expgui(curhist) {
2395	lappend histlist [lindex $expmap(powderlist) $item]
2396	}
2397	# must have at least one histogram selected here
2398	if {[llength $histlist] == 0} return
2399	# disable traces on entryvar for right now
2400	set entrycmd(trace) 0
2401	# loop through histograms & phases, set up an array by phase & profile type
2402	catch {unset prtyparray histarray phasearray}
2403	foreach hist $histlist {
2404	foreach phase $expmap(phaselist_$hist) {
2405	set prtyp [string trim [hapinfo $hist $phase proftype]]
2406	set key ${prtyp}_$phase
2407	lappend prtyparray($key) $hist
2408	lappend histarray($key) $hist
2409	lappend phasearray($key) $phase
2410	}
2411	}
2412
2413	set ptype ""
2414	set i -1
2415	# loop over all combined phases and profile types, sorted 1st by profile number
2416	foreach key [lsort [array names prtyparray]] {
2417	# split key
2418	scan $key %d_%d prftyp p
2419
2420	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
2421	set ptype $prftyp
2422	set curhistlist $histarray($key)
2423	set curphaslist $phasearray($key)
2424
2425	set hist1 [lindex $curhistlist 0]
2426	set phase1 [lindex $curphaslist 0]
2427	set nterms [hapinfo $hist1 $phase1 profterms]
2428	set htype [string range $expmap(htype_$hist1) 2 2]
2429	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
2430	# Create a frame for this type
2431	incr i
2432	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
2433	if {$expgui(haveBW)} {
2434	grid [TitleFrame $expgui(ProfileBox).f.$i \
2435	-text "(type $ptype)" \
2436	-relief groove -bd 2] \
2437	-column 0 -row $i -sticky ew
2438	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2439	grid [frame $ProfileFrame.0] \
2440	-column 0 -row 0 -columnspan 20 -sticky ew
2441	} else {
2442	grid [frame $expgui(ProfileBox).f.$i \
2443	-relief groove -bd 4] \
2444	-column 0 -row $i -sticky ew
2445	set ProfileFrame $expgui(ProfileBox).f.$i
2446	grid [frame $ProfileFrame.0] \
2447	-column 0 -row 0 -columnspan 20 -sticky ew
2448	grid [label $ProfileFrame.0.0 \
2449	-text "Profile Type $ptype "] -row 0 -column 0
2450	}
2451	grid [label $ProfileFrame.0.1 \
2452	-anchor w] -row 0 -column 1
2453	grid [frame $ProfileFrame.1] \
2454	-column 0 -row 1 -columnspan 20 -sticky ew
2455	grid [label $ProfileFrame.1.2 \
2456	-text "Damping"] -row 0 -column 2
2457	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2458	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2459	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2460	grid [button $ProfileFrame.1.edit \
2461	-text "Global Edit"] -row 0 -column 4 -sticky w
2462	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2463	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2464	-row 0 -column 5 -sticky w
2465	set col -1
2466	set row 2
2467	for { set num 1 } { $num <= $nterms } { incr num } {
2468	set term {}
2469	catch {set term [lindex $lbls $num]}
2470	if {$term == ""} {set term $num}
2471	incr col
2472	grid [label $ProfileFrame.l${num}_${i} \
2473	-text "$term"] -row $row -column $col
2474	incr col
2475	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2476	-variable entryvar(pref${num}_$i)] \
2477	-row $row -column $col
2478	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2479	if {$col > 10} {set col -1; incr row}
2480	}
2481	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2482	} else {
2483	# add to the current entry
2484	eval lappend curhistlist $histarray($key)
2485	eval lappend curphaslist $phasearray($key)
2486	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2487	}
2488	$ProfileFrame.0.1 config -text $boxtitle
2489	$ProfileFrame.1.edit config -command "\
2490	EditProfile \"\n$boxtitle\" \
2491	[list $curhistlist] \
2492	[list $curphaslist]"
2493	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2494	[list $curhistlist] [list $curphaslist]"
2495	set entrycmd(pdamp_$i) "hapinfo \
2496	[list $curhistlist] \
2497	[list $curphaslist] pdamp"
2498	for { set num 1 } { $num <= $nterms } { incr num } {
2499	set entrycmd(pref${num}_$i) "hapinfo \
2500	[list $curhistlist] \
2501	[list $curphaslist] pref$num"
2502	}
2503	}
2504	}
2505
2506	# resize the scroll window to match the actual
2507	update idletasks
2508	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2509	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2510	update idletasks
2511	ResizeNotebook
2512	# enable traces on entryvar now
2513	set entrycmd(trace) 1
2514	}
2515
2516	# process the bit settings in the print options
2517	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2518	proc printsetting {bitnum "action get" "value {}"} {
2519	global entryvar expgui
2520	if {$action == "get"} {
2521	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2522	} elseif $value {
2523	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2524	} else {
2525	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2526	}
2527	expinfo print set $newval
2528	set expgui(printopt) "Print Options ([expinfo print])"
2529	}
2530
2531	# need to respond to mouse presses -- control variable associated with extract Fobs
2532	# and set the LeBail extraction flags
2533	proc SetupExtractHist {} {
2534	global expgui entrycmd entryvar expmap
2535
2536	# display the selected histograms
2537	$expgui(lsFrame).hs.lbox selection clear 0 end
2538	foreach h $expgui(curhist) {
2539	$expgui(lsFrame).hs.lbox selection set $h
2540	}
2541
2542	# get histogram list
2543	set histlist {}
2544	foreach item $expgui(curhist) {
2545	set hist [lindex $expmap(powderlist) $item]
2546	if {$hist != ""} {lappend histlist $hist}
2547	}
2548	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2549	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2550	set entrycmd(LBdamp) ""
2551	foreach phase {1 2 3 4 5 6 7 8 9} {
2552	$expgui(FobsExtractFrame).l$phase config -fg grey
2553	set expgui(Fextract$phase) {}
2554	foreach item $expgui(ExtractSettingsRadiobuttons) {
2555	${item}$phase config -state disabled -bd 1
2556	}
2557	}
2558	} elseif {[llength $histlist] == 1} {
2559	# disable traces on entryvar
2560	set entrycmd(trace) 0
2561	set entryvar(fobsextract) [histinfo $histlist foextract]
2562	set entrycmd(LBdamp) "histinfo $histlist LBdamp"
2563	set entryvar(LBdamp) [histinfo $histlist LBdamp]
2564	foreach phase {1 2 3 4 5 6 7 8 9} {
2565	# is the phase present?
2566	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2567	$expgui(FobsExtractFrame).l$phase config -fg grey
2568	set expgui(Fextract$phase) {}
2569	foreach item $expgui(ExtractSettingsRadiobuttons) {
2570	${item}$phase config -state disabled -bd 1
2571	}
2572	} else {
2573	$expgui(FobsExtractFrame).l$phase config -fg black
2574	foreach item $expgui(ExtractSettingsRadiobuttons) {
2575	${item}$phase config -state normal -bd 2
2576	}
2577	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2578	}
2579	}
2580	} elseif {[llength $histlist] > 1} {
2581	# disable traces on entryvar
2582	set entrycmd(LBdamp) "histinfo [list $histlist] LBdamp"
2583	set entryvar(LBdamp) [histinfo [lindex $histlist 0] LBdamp]
2584	set entrycmd(trace) 0
2585	# multiple histograms need phases in any histogram
2586	foreach phase {1 2 3 4 5 6 7 8 9} {
2587	set gotphase($phase) 0
2588	}
2589	foreach hist $histlist {
2590	foreach phase $expmap(phaselist_$hist) {
2591	set gotphase($phase) 1
2592	}
2593	}
2594	foreach phase {1 2 3 4 5 6 7 8 9} {
2595	set expgui(Fextract$phase) {}
2596	if $gotphase($phase) {
2597	$expgui(FobsExtractFrame).l$phase config -fg black
2598	foreach item $expgui(ExtractSettingsRadiobuttons) {
2599	${item}$phase config -state normal -bd 2
2600	}
2601	} else {
2602	$expgui(FobsExtractFrame).l$phase config -fg grey
2603	foreach item $expgui(ExtractSettingsRadiobuttons) {
2604	${item}$phase config -state disabled -bd 1
2605	}
2606	}
2607	}
2608	}
2609	# reenable traces
2610	set entrycmd(trace) 1
2611	}
2612	# respond to a change in the fobs extraction method for a phase
2613	# force the main extraction flag on, if fobs extraction is selected for any phase
2614	proc HistExtractSet {phase} {
2615	global expgui entryvar expmap
2616	foreach item $expgui(curhist) {
2617	lappend histlist [lindex $expmap(powderlist) $item]
2618	}
2619	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2620	incr expgui(changed)
2621	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2622	}
2623	#---------------------------- Global Edit Functions ------------------------
2624	proc editbackground {} {
2625	global expgui expmap entrycmd
2626	set histlist {}
2627	foreach n $expgui(curhist) {
2628	lappend histlist [lindex $expmap(powderlist) $n]
2629	}
2630	if {[llength $histlist] == 0} return
2631
2632	set w .back
2633	catch {destroy $w}
2634	toplevel $w -bg beige
2635	if {$expgui(globalmode) != 0} {
2636	wm title $w "Global Edit Background"
2637	} else {
2638	wm title $w "Edit Background"
2639	}
2640
2641	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2642	] -side top -expand yes -fill both
2643	if {[llength $histlist] > 1} {
2644	grid [label $w.0.a \
2645	-text "Setting background terms for histograms [CompressList $histlist]" \
2646	-bg beige] -row 0 -column 0 -columnspan 10
2647	} else {
2648	grid [label $w.0.a \
2649	-text "Setting background terms for histogram $histlist" \
2650	-bg beige] -row 0 -column 0 -columnspan 4
2651	grid [button $w.0.bkg -text "Fit Background\nGraphically" \
2652	-command "QuitEditBackground $w; bkgedit $histlist"] \
2653	-row 0 -column 4 -rowspan 2
2654	grid columnconfig $w.0 0 -weight 1
2655	grid columnconfig $w.0 4 -weight 1
2656	}
2657	set hist [lindex $histlist 0]
2658	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0 -sticky e
2659
2660	# disable traces on expgui(backtype) & expgui(backterms) now
2661	set entrycmd(trace) 0
2662
2663	# number of terms
2664	set expgui(backtype) [histinfo $hist backtype]
2665	set expgui(orig_backtype) $expgui(backtype)
2666	set expgui(prev_backtype) $expgui(backtype)
2667	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2668	$typemenu delete 0 end
2669	foreach item {
2670	"1 - Shifted Chebyschev"
2671	"2 - Cosine Fourier series"
2672	"4 - Power series in Q**2n/n!"
2673	"5 - Power series in n!/Q**2n"
2674	"6 - Power series in Q2n/n! and n!/Q2n"
2675	"7 - Linear interpolation function"
2676	"8 - Reciprocal interpolation function"
2677	} {
2678	set val [lindex $item 0]
2679	$typemenu insert end radiobutton -variable expgui(backtype) \
2680	-label $item -value $val
2681	}
2682	# removed
2683	# "3 - Radial distribution peaks"
2684
2685	grid $w.0.type -row 1 -column 1
2686	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2687
2688	# function type
2689	set expgui(backterms) [histinfo $hist backterms]
2690	set expgui(orig_backterms) $expgui(backterms)
2691	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2692	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2693	grid $w.0.terms -row 1 -column 3
2694	# enable traces on expgui(backtype) & expgui(backterms) now
2695	set entrycmd(trace) 1
2696
2697	#set background terms
2698	for {set num 1 } { $num <= 36 } { incr num } {
2699	set var "bterm$num"
2700	set expgui($var) {}
2701	set expgui(orig_$var) {}
2702	}
2703	if {[llength $histlist] == 1} {
2704	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2705	set var "bterm$num"
2706	set expgui($var) [histinfo $histlist $var]
2707	set expgui(orig_$var) $expgui($var)
2708	}
2709	}
2710
2711	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2712	-expand yes -fill both
2713	ShowBackTerms $w.1
2714
2715	set expgui(temp) {}
2716	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2717	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2718	grid [button $w.b.3 -text Quit \
2719	-command "QuitEditBackground $w"] -row 0 -column 2
2720	grid [button $w.b.help -text Help -bg yellow \
2721	-command "MakeWWWHelp expgui3.html EditBackground"] \
2722	-row 0 -column 4
2723	grid columnconfig $w.b 0 -weight 1
2724	grid columnconfig $w.b 3 -weight 1
2725	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2726	bind $w <Return> "destroy $w"
2727
2728	# force the window to stay on top
2729	putontop $w
2730
2731	focus $w.b.2
2732	tkwait window $w
2733	afterputontop
2734
2735	if {$expgui(temp) != ""} return
2736
2737	if {$expgui(orig_backtype) != $expgui(backtype)} {
2738	histinfo $histlist backtype set $expgui(backtype)
2739	incr expgui(changed)
2740	}
2741	if {$expgui(orig_backterms) != $expgui(backterms)} {
2742	histinfo $histlist backterms set $expgui(backterms)
2743	incr expgui(changed)
2744	}
2745	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2746	set var "bterm$num"
2747	if {$expgui(orig_$var) != $expgui($var)} {
2748	histinfo $histlist $var set $expgui($var)
2749	incr expgui(changed)
2750	}
2751	}
2752
2753	if {$expgui(globalmode) == 0} {
2754	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2755	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2756	}
2757	}
2758
2759	trace variable expgui(backterms) w ChangeBackTerms
2760	proc ChangeBackTerms {a b c} {
2761	global entrycmd expgui
2762	if !$entrycmd(trace) return
2763	ShowBackTerms .back.1
2764	}
2765
2766	trace variable expgui(backtype) w ChangeBackType
2767	# reset the terms to 1, 0, 0... when the number of terms increase
2768	proc ChangeBackType {a b c} {
2769	global entrycmd expgui
2770	if !$entrycmd(trace) return
2771	if {$expgui(prev_backtype) == $expgui(backtype)} return
2772	set expgui(prev_backtype) $expgui(backtype)
2773	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2774	set var "bterm$num"
2775	if {$num == 1} {
2776	set expgui($var) 1.0
2777	} else {
2778	set expgui($var) 0.0
2779	}
2780	}
2781	}
2782
2783	proc ShowBackTerms {w } {
2784	global expgui expmap
2785	# destroy the contents of the frame
2786	eval destroy [winfo children $w]
2787	set histlist {}
2788	foreach n $expgui(curhist) {
2789	lappend histlist [lindex $expmap(powderlist) $n]
2790	}
2791	set widgetsPerRow 4
2792	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2793	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2794	set var "bterm$num"
2795	grid [label $w.l$num -text $num -bg beige] \
2796	-row $rows -column $cols -sticky nes
2797	incr cols
2798	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2799	] -row $rows -column $cols -sticky news
2800	incr cols
2801	}
2802	}
2803	}
2804
2805	proc QuitEditBackground {w} {
2806	global expgui
2807	# lets find out if anything changed
2808	set changed 0
2809	if {$expgui(orig_backtype) != $expgui(backtype)} {
2810	set changed 1
2811	}
2812	if {$expgui(orig_backterms) != $expgui(backterms)} {
2813	set changed 1
2814	}
2815	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2816	set var "bterm$num"
2817	if {$expgui(orig_$var) != $expgui($var)} {
2818	set changed 1
2819	break
2820	}
2821	}
2822	if $changed {
2823	set decision [tk_dialog .changes "Abandon Changes" \
2824	"You have made changes to the background. Ok to abandon changes?" \
2825	warning 0 Abandon Keep]
2826	if !$decision {
2827	set expgui(temp) "Quit"
2828	destroy $w
2829	}
2830	} else {
2831	set expgui(temp) "Quit"
2832	destroy $w
2833	}
2834	}
2835
2836	# this probably needs work
2837	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2838	global expgui expmap
2839	set w .global
2840	catch {destroy $w}
2841	toplevel $w -bg beige
2842	wm title $w "Edit Global Parameter"
2843	set expgui(temp) {}
2844	if {[llength $histlist] == 0} {
2845	set hist {}
2846	foreach n $expgui(curhist) {
2847	lappend hist [lindex $expmap(powderlist) $n]
2848	}
2849	} else {
2850	set hist $histlist
2851	}
2852	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2853	-side top -expand yes -fill both
2854	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2855	-bg beige] \
2856	-row 0 -column 0 -columnspan 10
2857	grid [entry $w.0.b -textvariable expgui(temp)] \
2858	-row 1 -column 0
2859
2860
2861	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2862	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2863	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2864	pack [button $w.b.help -text Help -bg yellow \
2865	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2866	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2867	bind $w <Return> "destroy $w"
2868
2869	# force the window to stay on top
2870	putontop $w
2871	focus $w.b.2
2872	tkwait window $w
2873	afterputontop
2874
2875	if {$expgui(temp) != ""} {
2876	foreach h $hist {
2877	if {$cmd == "histinfo"} {
2878	histinfo $h $variable set $expgui(temp)
2879	incr expgui(changed)
2880	if $expgui(debug) {
2881	puts "histinfo $h $variable set $expgui(temp)"
2882	}
2883	} elseif {$cmd == "hapinfo"} {
2884	hapinfo $h $phase $variable set $expgui(temp)
2885	incr expgui(changed)
2886	if $expgui(debug) {
2887	puts "hapinfo $phase $h $variable set $expgui(temp)"
2888	}
2889	} else {
2890	error "$cmd unimplemented"
2891	}
2892	}
2893	}
2894	}
2895
2896	proc EditProfile {title histlist phaselist} {
2897	global expgui expmap entrycmd
2898	set w .back
2899	catch {destroy $w}
2900	toplevel $w -bg beige
2901	wm title $w "Global Edit Profile"
2902	set hist [lindex $histlist 0]
2903	set phase [lindex $phaselist 0]
2904	set ptype [string trim [hapinfo $hist $phase proftype]]
2905	set htype [string range $expmap(htype_$hist) 2 2]
2906	set nterms [hapinfo $hist $phase profterms]
2907
2908	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2909	] -side top -expand yes -fill both
2910	grid [label $w.0.a \
2911	-text "Setting profile terms: $title" \
2912	-bg beige] -row 0 -column 0 -columnspan 10
2913	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2914	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2915	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2916	set entrylist {}
2917	lappend entrylist "pcut $w.0.d"
2918
2919	set col -1
2920	set row 1
2921	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2922	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2923	] -side top -expand yes -fill both
2924	for { set num 1 } { $num <= $nterms } { incr num } {
2925	set term {}
2926	catch {set term [lindex $lbls $num]}
2927	if {$term == ""} {set term $num}
2928	incr col
2929	grid [label $w.1.l${num} -text "$term" -bg beige] \
2930	-row $row -column $col
2931	incr col
2932	grid [entry $w.1.ent${num} \
2933	-width 14] -row $row -column $col
2934	lappend entrylist "pterm$num $w.1.ent${num}"
2935	if {$col > 6} {set col -1; incr row}
2936	}
2937	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2938	grid [button $w.b.2 -text Set \
2939	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2940	[list $histlist] $w"] -row 0 -column 1
2941	grid [button $w.b.3 -text Quit \
2942	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2943	grid [button $w.b.help -text Help -bg yellow \
2944	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2945	-row 0 -column 4
2946	grid columnconfig $w.b 0 -weight 1
2947	grid columnconfig $w.b 3 -weight 1
2948	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2949	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2950
2951	# force the window to stay on top
2952	putontop $w
2953	focus $w.b.2
2954	tkwait window $w
2955	afterputontop
2956	}
2957
2958	proc SetEditProfile {entrylist phaselist histlist w} {
2959	global expgui
2960	foreach item $entrylist {
2961	set value [ [lindex $item 1] get ]
2962	if {$value != ""} {
2963	hapinfo $histlist $phaselist [lindex $item 0] set $value
2964	incr expgui(changed)
2965	if $expgui(debug) {
2966	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2967	}
2968	}
2969	}
2970	destroy $w
2971	}
2972
2973	proc QuitEditProfile {w entrylist} {
2974	global expgui
2975	# lets find out if anything changed
2976	set changed 0
2977	foreach item $entrylist {
2978	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2979	}
2980	if $changed {
2981	set decision [tk_dialog .changes "Abandon Changes" \
2982	"You have made changes to the Profile. Ok to abandon changes?" \
2983	warning 0 Abandon Keep]
2984	if !$decision {destroy $w}
2985	} else {
2986	destroy $w
2987	}
2988	}
2989
2990	# this is called to change the absorption correction mode and to
2991	# change the absorption correction model.
2992	proc editabsorption {} {
2993	global expgui expmap
2994	set histlist {}
2995	foreach n $expgui(curhist) {
2996	lappend histlist [lindex $expmap(powderlist) $n]
2997	}
2998	if {[llength $histlist] == 0} return
2999
3000	set w .abs
3001	catch {destroy $w}
3002	toplevel $w -bg beige
3003	if {$expgui(globalmode) != 0} {
3004	wm title $w "Global Edit Absorption/Reflectivity"
3005	} else {
3006	wm title $w "Edit Absorption/Reflectivity"
3007	}
3008
3009	pack [frame $w.0 -bd 6 -relief groove -bg beige \
3010	] -side top -expand yes -fill both
3011	if {[llength $histlist] > 1} {
3012	grid [label $w.0.a \
3013	-text "Changing settings for histograms [CompressList $histlist]" \
3014	-bg beige] -row 0 -column 0 -columnspan 10
3015	} else {
3016	grid [label $w.0.a \
3017	-text "Changing settings for histogram $histlist" \
3018	-bg beige] -row 0 -column 0 -columnspan 4
3019	#grid columnconfig $w.0 4 -weight 1
3020	}
3021	grid rowconfig $w.0 1 -min 10
3022	set hist [lindex $histlist 0]
3023
3024	grid [label $w.0.lb1 -text "Absorption Coefficient(s)" -bg beige] \
3025	-row 2 -column 1 -columnspan 2
3026	grid [label $w.0.lb1a -text "1" -bg beige] -row 3 -column 1
3027	set expgui(abs2box1) $w.0.lb2a
3028	grid [label $w.0.lb2a -text "2" -bg beige] -row 3 -column 2
3029	grid [label $w.0.lb3 -text Absorption\nFunction -bg beige] \
3030	-row 2 -column 6 -rowspan 2 -columnspan 2
3031	grid [entry $w.0.ent1 -textvariable expgui(abscor1) -width 15] \
3032	-row 4 -column 1
3033	set expgui(abs2box2) $w.0.ent2
3034	grid [entry $w.0.ent2 -textvariable expgui(abscor2) -width 15] \
3035	-row 4 -column 2
3036	trace vdelete expgui(abstype) w AbsSetoptmsg
3037	eval tk_optionMenu $w.0.m1 expgui(abstype) 0 1 2 3 4
3038	trace variable expgui(abstype) w AbsSetoptmsg
3039	grid $w.0.m1 -row 4 -column 6 -columnspan 2
3040	grid [label $w.0.lb8 -textvariable expgui(opttxt) -bg beige \
3041	-wrap 300 -justify left] -row 5 -column 1 -sticky ne -columnspan 7
3042	grid rowconfig $w.0 5 -min 100
3043	# set the values, note the trace on abstype
3044	foreach var {abscor1 abscor2 abstype} {
3045	set expgui($var) [histinfo $hist $var]
3046	}
3047
3048	pack [frame $w.b -bg beige] -fill x -expand yes -side top
3049	grid [button $w.b.2 -text Set -command "AbsSaveEdit $w [list $histlist]"] \
3050	-row 0 -column 1
3051	grid [button $w.b.3 -text Quit \
3052	-command "destroy $w"] -row 0 -column 2
3053	grid [button $w.b.help -text Help -bg yellow \
3054	-command "MakeWWWHelp expgui3.html EditAbsorption"] \
3055	-row 0 -column 4
3056	grid columnconfig $w.b 0 -weight 1
3057	grid columnconfig $w.b 3 -weight 1
3058	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditAbsorption"
3059	bind $w <Return> "destroy $w"
3060
3061	# force the window to stay on top
3062	putontop $w
3063
3064	focus $w.b.2
3065	tkwait window $w
3066	afterputontop
3067	}
3068
3069	proc AbsSetoptmsg {args} {
3070	global expgui
3071	array set opttxt {
3072	0 "Correction for cylindrical samples [Lobanov & Alte da Veiga]. OK for all data types, but not for Bragg-Brentano flat-plate geometry. Set term 1 to muR/lambda (TOF: muR for lambda=1). For CW x-ray/neutron, do not refine!"
3073	1 "Wavelength-dependent correction for container penetration. Use with TOF & Energy Disp x-ray only."
3074	2 "Surface roughness correction [Pitschke, Hermann & Muttern]. Use with flat-plate reflection geometry (usually Bragg-Brentano) only."
3075	3 "Surface roughness correction, [Suortti]. Use with flat-plate reflection geometry (usually Bragg-Brentano) only."
3076	4 "Flat plate samples in transmission mode. OK for all data types, but not Bragg-Brentano geometry. Term 2 is angle w/r to beam (usually 0). For CW, do not refine."
3077	}
3078	set expgui(opttxt) ""
3079	catch {set expgui(opttxt) [set opttxt($expgui(abstype))]}
3080	switch $expgui(abstype) {
3081	0 -
3082	1 {
3083	$expgui(abs2box1) config -fg gray
3084	$expgui(abs2box2) config -state disabled -fg gray
3085	}
3086	2 -
3087	3 -
3088	4 {
3089	$expgui(abs2box1) config -fg black
3090	$expgui(abs2box2) config -state normal -fg black
3091	}
3092	default {
3093	set expgui(opttxt) "Please select an absorption function"
3094	}
3095	}
3096	}
3097	proc AbsSaveEdit {top histlist} {
3098	global expgui expmap
3099	# sanity check: look at the histogram type
3100	set h [lindex $histlist 0]
3101	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag 1}
3102	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag 2}
3103	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
3104	[histinfo $h lam2] != 0.0} {set flag 3}
3105	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
3106	[histinfo $h lam2] == 0.0} {set flag 4}
3107	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag 5}
3108
3109	set msg {}
3110	if {$expgui(abstype) == 0 && ($flag == 3 \|\| $flag == 4)} {
3111	set msg "Mode 0 is appropriate for cylindrical (Debye-Scherrer) geometry only"
3112	} elseif {$expgui(abstype) == 1 && ($flag != 1 && $flag != 5)} {
3113	set msg "Mode 1 is appropriate for wavelength-dispersive (TOF/E.D. X-ray) data only"
3114	} elseif {($expgui(abstype) == 2 \|\| $expgui(abstype) == 3) \
3115	&& $flag != 3 && $flag != 4} {
3116	set msg "Mode 1 is appropriate for reflection geometry flat-plate (typically Bragg-Brentano) data only"
3117	} elseif {$expgui(abstype) == 4 && $flag <= 3} {
3118	set msg "Mode 4 is appropriate for flat-plate samples in transmission"
3119	}
3120	if {$msg != ""} {
3121	set result [\
3122	MyMessageBox -parent $top -title "Sanity check" \
3123	-type okcancel -default cancel \
3124	-icon warning -helplink "expgui3.html AbsorptionSanity" \
3125	-message "$msg -- are you sure you want to do this?"]
3126	if {$result == "cancel"} return
3127	}
3128
3129	# validate abscor1 & abscor2 (if needed)
3130	set msg {}
3131	if {![validreal expgui(abscor1) 15 8]} {
3132	set msg "Term 1 is invalid"
3133	}
3134	if {$expgui(abstype) > 1} {
3135	if {![validreal expgui(abscor2) 15 8]} {
3136	if {$msg != ""} {append msg "\n"}
3137	append msg "Term 2 is invalid"
3138	}
3139	}
3140	if {$msg != ""} {
3141	MyMessageBox -parent $top -title "Entry error" \
3142	-type ok -default ok \
3143	-icon warning -helplink "" \
3144	-message "Invalid data entered. Please correct.\n$msg"
3145	return
3146	}
3147
3148	histinfo $histlist abstype set $expgui(abstype)
3149	histinfo $histlist abscor1 set $expgui(abscor1)
3150	if {$expgui(abstype) > 1} {
3151	histinfo $histlist abscor2 set $expgui(abscor2)
3152	} else {
3153	histinfo $histlist abscor2 set 0.
3154	}
3155	# turn off refinement, just in case they didn't read
3156	if {($expgui(abstype) == 0 \|\| $expgui(abstype) == 1 \|\| $expgui(abstype) == 4) \
3157	&& ($flag != 1 && $flag != 5)} {
3158	histinfo $histlist absref set 0
3159	}
3160	incr expgui(changed)
3161	destroy $top
3162	}
3163
3164	##############################################################################
3165	## #############################################
3166	## END OF THE PROCEDURES SECTION #############################################
3167	## #############################################
3168	##############################################################################
3169
3170	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
3171	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
3172	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
3173	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
3174	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
3175	# A frame for menu items at top of display
3176	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
3177	# Pack the menu frame.
3178	pack $expgui(fm) -fill x -side top -anchor n
3179
3180	# create a button bar
3181	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
3182
3183	# Creating the notebook and panes
3184
3185	# create an array element describing each notebook page (used with BW only)
3186	# element 0 -- pane name
3187	# 1 -- Label on frame
3188	# 2 -- initialization command
3189	# 3 -- update command
3190	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
3191	# are selected in global mode, 0 otherwise
3192	# 5 -- Web page for pane
3193	# 6 -- name anchor on Web page for pane
3194	set expgui(notebookpagelist) {
3195	{lsFrame "LS Controls" \
3196	"" \
3197	SetupExtractHist \
3198	0 expgui1.html ""}
3199	{phaseFrame Phase \
3200	"" \
3201	{SelectOnePhase $expgui(curPhase)} \
3202	0 expgui2.html ""}
3203	{histFrame Histogram \
3204	MakeHistPane \
3205	DisplayHistogram \
3206	1 expgui3.html ""}
3207	{fracFrame Scaling \
3208	MakeScalingPane \
3209	DisplayFrac \
3210	0 expgui4.html ""}
3211	{profFrame Profile \
3212	MakeProfilePane \
3213	DisplayProfile \
3214	1 expgui5.html ""}
3215	{consFrame Constraints \
3216	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
3217	DisplayConstraintsPane \
3218	0 expgui6.html ""}
3219	{orientFrame "MD Pref Orient" \
3220	MakeOrientPane \
3221	DisplayOrient \
3222	0 expgui7.html MD}
3223	{odfFrame "SH Pref Orient" \
3224	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
3225	DisplayODFPane \
3226	0 expgui7.html ODF}
3227	}
3228
3229	if $expgui(haveBW) {
3230	pack [NoteBook .n -bd 2] -expand yes -fill both
3231	# this should not be needed, but for some reason NoteBook is not
3232	# using the optionDB
3233	catch {.n configure -font [option get .n font Canvas]}
3234	foreach item $expgui(notebookpagelist) {
3235	set frm [lindex $item 0]
3236	set expgui($frm) [\
3237	.n insert end $frm -text [lindex $item 1] \
3238	-createcmd "set expgui(pagenow) $frm; [lindex $item 2]" \
3239	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
3240
3241	# at this time expgui(frameactionlist) is generated
3242	# from expgui(notebookpagelist), but in the future it might
3243	# make sense to use expgui(notebookpagelist) directly
3244	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
3245
3246	# panes to disable in global "all" mode
3247	if {[lindex $item 4]} {
3248	lappend expgui(GlobalModeAllDisable) \
3249	"$frm \{.n itemconfigure $frm\}"
3250	}
3251	}
3252	} else {
3253	Notebook:create .n \
3254	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
3255	pack .n -anchor w -fill both -expand yes
3256	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
3257	orientFrame} \
3258	page {"LS Controls" Phase Histogram Scaling Profile \
3259	"MD Pref Orient"} {
3260	set expgui($item) [Notebook:frame .n $item]
3261	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
3262	}
3263	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
3264	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms $expgui(curPhase) noreset}"
3265	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
3266	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
3267	lappend expgui(frameactionlist) "profFrame DisplayProfile"
3268	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
3269	set expgui(GlobalModeAllDisable) {}
3270	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
3271	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
3272	}
3273
3274	# this is used to bring up the selected frame
3275	proc RaisePage {nextpage} {
3276	global expgui
3277	if $expgui(haveBW) {
3278	set expgui(pagenow) $nextpage
3279	.n see $nextpage
3280	.n raise $nextpage
3281	} else {
3282	Notebook:raise .n $nextpage
3283	InitPage $nextpage
3284	}
3285	}
3286	# this is only called when BWidget is not in use
3287	proc InitPage {nextpage} {
3288	global expgui
3289	set expgui(pagenow) $nextpage
3290	UpdateCurrentPage
3291	}
3292	# resize the notebook to fit all the tabs and the largest page
3293	proc ResizeNotebook {} {
3294	global expgui
3295	if {$expgui(haveBW)} {
3296	.n compute_size
3297	} else {
3298	Notebook:resize .n
3299	}
3300	}
3301
3302	#----------------------------------------------------------------------------
3303	proc MakePhasePane {} {
3304	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
3305	global expgui entryvar entrybox entrycmd
3306	frame $expgui(phaseFrame).top
3307	set frameLatt [frame $expgui(phaseFrame).frameLatt]
3308	# This is a big frame in the Phase notebook pane to hold atomic data.
3309	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
3310	-relief raised -borderwidth 4 -class Coord]
3311	# This is a frame just below the big frame: for edits
3312	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
3313	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
3314
3315	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
3316	grid $frameLatt -sticky news -row 2 -column 0
3317	grid $fbig -sticky news -row 3 -column 0
3318	# give extra space to the atoms box
3319	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
3320	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
3321	grid $frame3 -sticky news -row 4 -column 0
3322	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
3323	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
3324	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
3325	# this is where the buttons will go
3326	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
3327
3328	grid [label $expgui(phaseFrame).top.lA -text title: \
3329	-fg blue ] -column 1 -row 0 -sticky e
3330	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
3331	-fg blue -width 45] -column 2 -row 0 -sticky e
3332	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
3333	# ------------- Lattice Parameter Box ------------------
3334	set row 0
3335	foreach col {2 4 6} var {a b c} lbl {a b c} {
3336	grid [label $frameLatt.l$var -text $lbl] \
3337	-column $col -row $row -padx 5 -sticky e
3338	incr col
3339	grid [label $frameLatt.e$var -textvariable entryvar($var) \
3340	-relief groove -bd 2 -width 10] \
3341	-column $col -row $row -padx 5
3342	# grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
3343	# -column $col -row $row -padx 5
3344	# set entrybox($var) $frameLatt.e$var
3345	}
3346	incr row
3347	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
3348	grid [label $frameLatt.l$var -text $lbl] \
3349	-column $col -row $row -padx 5 -sticky e
3350	set font [$frameLatt.l$var cget -font]
3351	$frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
3352
3353	incr col
3354	grid [label $frameLatt.e$var -textvariable entryvar($var)\
3355	-relief groove -bd 2 -width 10] \
3356	-column $col -row $row -padx 5
3357	# grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
3358	# -column $col -row $row -padx 5
3359	# set entrybox($var) $frameLatt.e$var
3360	}
3361
3362	grid [button $frameLatt.edit -text "Edit\nCell" -command EditCellConstants] \
3363	-column 8 -row 0 -rowspan 2 -padx 5 -sticky e
3364	grid [label $frameLatt.lr -text "Refine Cell"] -column 9 -row 0 -padx 5 -sticky e
3365	grid [label $frameLatt.ld -text "Cell damping"] -column 9 -row 1 -padx 5 -sticky e
3366	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
3367	grid $cFlag -column 10 -row 0 -padx 5 -sticky e
3368	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
3369	grid $frameLatt.om -column 10 -row 1 -padx 5 -sticky e
3370	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
3371	-column 1 -row 0 -rowspan 2
3372	if [file executable $expgui(exptool)] {
3373	grid [button $expgui(phaseFrame).frameLatt.newp \
3374	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
3375	] -column 0 -row 0 -rowspan 2 -sticky w
3376	}
3377	grid columnconfig $frameLatt 1 -weight 1
3378	grid columnconfig $frameLatt 0 -weight 1
3379	#-------------- Begin Atom Coordinates Box ------------------------------
3380	grid [listbox $fbig.title -height 1 -relief flat \
3381	-exportselection 0 -bg lightgrey -fg black \
3382	-selectforeground black -selectbackground lightgrey] \
3383	-row 0 -column 0 -sticky ew
3384	set expgui(atomtitle) $fbig.title
3385	bind $expgui(atomtitle) <Button-1> {
3386	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
3387	incr i
3388	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
3389	DisplayAllAtoms $expgui(curPhase)
3390	}
3391	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms $expgui(curPhase)}
3392
3393	$expgui(atomtitle) configure -selectmode extended
3394	grid [listbox $fbig.lbox -height 10 \
3395	-exportselection 0 \
3396	-xscrollcommand " $fbig.bscr set"\
3397	-yscrollcommand " $fbig.rscr set"\
3398	] -row 1 -column 0 -sticky news
3399	set expgui(atomlistbox) $fbig.lbox
3400	$expgui(atomlistbox) configure -selectmode extended
3401	grid [scrollbar $fbig.bscr -orient horizontal \
3402	-command "move2boxesX \" $fbig.title $fbig.lbox \" " \
3403	] -row 2 -column 0 -sticky ew
3404	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
3405	] -row 1 -column 1 -sticky ns
3406	# give extra space to the atoms box
3407	grid columnconfigure $fbig 0 -weight 1
3408	grid rowconfigure $fbig 1 -weight 1
3409
3410	# BIND mouse in editbox
3411	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
3412	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
3413
3414	#-------------- End Atoms Section ---------------------------------
3415
3416	# --------------------------- Begin Edit Box ------------------------
3417	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
3418	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
3419	if [file executable $expgui(exptool)] {
3420	button $frame3.newa -text "Add New Atoms" \
3421	-bg $expgui(bkgcolor1) -highlightthickness 0 \
3422	-command {MakeAddAtomsBox $expgui(curPhase)}
3423	grid $frame3.newa -column 11 -row 0
3424	set expgui(AddAtomBut) $frame3.newa
3425	}
3426	button [set expgui(atomxform) $frame3.xa] \
3427	-bg $expgui(bkgcolor1) -highlightthickness 0 \
3428	-command {MakeXformAtomsBox $expgui(curPhase)}
3429	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
3430
3431	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
3432	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
3433	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
3434	grid [checkbutton $frame3.cf$col \
3435	-text $lbl -variable entryvar($var) \
3436	-bg $expgui(bkgcolor1) -highlightthickness 0 \
3437	-activebackground $expgui(bkgcolor1)] \
3438	-column $col -row 1 -padx 4 -pady 3 -sticky w
3439	}
3440	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
3441	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
3442
3443	set col 4
3444	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
3445	grid [label $frame3.lom$num -text $lbl \
3446	-bg $expgui(bkgcolor1)] \
3447	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
3448	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
3449	$frame3.om$num config -highlightthickness 0
3450	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
3451	}
3452	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
3453	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
3454
3455	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
3456	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
3457
3458	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
3459	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
3460	set expgui(atomlabels) $f3l1
3461
3462	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
3463	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
3464	set expgui(atomentry) $f3e1
3465
3466	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
3467	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
3468	lappend expgui(atomlabels) $f3l8
3469	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
3470	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
3471	lappend expgui(atomlabels) $f3l11
3472
3473	foreach var {x y z frac} col {3 4 5 7} {
3474	set entrybox($var) [entry $frame3.coords.e$var \
3475	-textvariable entryvar($var) -width 10]
3476	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
3477	lappend expgui(atomentry) $entrybox($var)
3478	}
3479
3480
3481	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
3482	grid $f3f31 -column 0 -row 7 -columnspan 12
3483	set expgui(anisolabels) {}
3484	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
3485	lappend expgui(anisolabels) [\
3486	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
3487	]
3488	}
3489	set expgui(anisoentry) {}
3490	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
3491	lappend expgui(anisoentry) [\
3492	entry $f3f31.$i -textvariable entryvar($var) \
3493	-width 10]
3494	set entrybox($var) $f3f31.$i
3495	}
3496
3497	set col 0
3498	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
3499	grid $item1 -column $col -row 0 -sticky nsw -pady 3
3500	incr col
3501	grid $item2 -column $col -row 0 -sticky nsw -pady 3
3502	incr col
3503	}
3504	# --------------------------- End Edit Box -------------------------
3505
3506	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
3507	# resize in case the pane needs more space
3508	ResizeNotebook
3509	}
3510
3511	# called to create a window for editing unit cell constants
3512	proc EditCellConstants {} {
3513	global expgui entrybox
3514	set spg [phaseinfo $expgui(curPhase) spacegroup]
3515	set laueaxis [GetLaue $spg]
3516	set vary ""
3517	set equivL ""
3518	set equivA ""
3519	switch -exact $laueaxis {
3520	1bar {set vary "a b c alpha beta gamma"}
3521	2/ma {set vary "a b c alpha"}
3522	2/mb {set vary "a b c beta"}
3523	2/mc {set vary "a b c gamma"}
3524	mmm {set vary "a b c"}
3525	4/m -
3526	4/mmm {set vary "a c"; set equivL "a b"}
3527	3barR -
3528	"3bar mR" {
3529	set vary "a alpha"
3530	set equivL "a b c"
3531	set equivA "alpha beta gamma"
3532	}
3533	3bar -
3534	3barm1 -
3535	3bar1m -
3536	6/m -
3537	6/mmm {set vary "a c";set equivL "a b"}
3538	"m 3" -
3539	m3m {set vary a;set equivL "a b c"}
3540	default {
3541	MyMessageBox -parent . -title "Laue problem" \
3542	-message "Error processing Laue code: $laueaxis\nError in space group \"$spg\"?\nUnable to edit cell. Fix or use EXPEDT." \
3543	-icon warning -type OK -default ok \
3544	-helplink "expguierr.html BadLaue"
3545	}
3546	}
3547	set row 0
3548	set w .cell
3549	toplevel $w -bg beige
3550	wm title $w "Edit Cell Parameters"
3551	# bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
3552	bind $w <Return> "set expgui(temp) 1; destroy $w"
3553	pack [label $w.l1 -bg yellow -anchor center -justify center \
3554	-text "Edit unit cell parameters for phase #$expgui(curPhase)" \
3555	] -side top -expand yes -fill both
3556	pack [label $w.l2 -bg beige -justify left \
3557	-text "title: [phaseinfo $expgui(curPhase) name]\nSpace group: $spg\nLaue class: $laueaxis" \
3558	] -side top -expand yes -fill both
3559	pack [frame $w.0 -bd 6 -relief groove -bg beige \
3560	] -side top -expand yes -fill both
3561	pack [frame $w.b -bg beige] -fill x -expand yes -side top
3562	grid [button $w.b.2 -text Set -command "set expgui(temp) 1; destroy $w"] -row 0 -column 1
3563	grid [button $w.b.3 -text Quit \
3564	-command "set expgui(temp) 0; destroy $w"] -row 0 -column 2
3565	# grid [button $w.b.help -text Help -bg yellow \
3566	# -command "MakeWWWHelp expgui3.html EditBackground"] \
3567	# -row 0 -column 4
3568
3569	global tmpvar
3570	trace variable tmpvar w TestCellEdit
3571	foreach ent {a b c alpha beta gamma} {
3572	set tmpvar($ent) [phaseinfo $expgui(curPhase) $ent]
3573	}
3574
3575	set frameLatt $w.0
3576	foreach col {2 4 6} var {a b c} lbl {a b c} {
3577	grid [label $frameLatt.l$var -text $lbl -bg beige] \
3578	-column $col -row $row -padx 5 -sticky e
3579	incr col
3580	if {[lsearch $equivL $var] == -1} {
3581	set v $var
3582	} else {
3583	set v [lindex $equivL 0]
3584	}
3585	if {[lsearch $vary $var] == -1} {
3586	grid [label $frameLatt.e$var -textvariable tmpvar($v) \
3587	-width 10 -bg beige] \
3588	-column $col -row $row -padx 5
3589	} else {
3590	grid [entry $frameLatt.e$var -textvariable tmpvar($v) \
3591	-width 10] -column $col -row $row -padx 5
3592	set entrybox($var) $frameLatt.e$var
3593	}
3594	}
3595	incr row
3596	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
3597	grid [label $frameLatt.l$var -text $lbl -bg beige] \
3598	-column $col -row $row -padx 5 -sticky e
3599	set font [$frameLatt.l$var cget -font]
3600	$frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
3601
3602	incr col
3603	if {[lsearch $equivA $var] == -1} {
3604	set v $var
3605	} else {
3606	set v [lindex $equivA 0]
3607	}
3608	if {[lsearch $vary $var] == -1} {
3609	grid [label $frameLatt.e$var -textvariable tmpvar($v)\
3610	-width 10 -bg beige] \
3611	-column $col -row $row -padx 5
3612	} else {
3613	grid [entry $frameLatt.e$var -textvariable tmpvar($v) \
3614	-width 10] -column $col -row $row -padx 5
3615	set entrybox($var) $frameLatt.e$var
3616	}
3617	}
3618	putontop $w
3619	tkwait window $w
3620	afterputontop
3621	global entryvar
3622	set change 0
3623	if {$expgui(temp)} {
3624	foreach var {a b c} {
3625	if {[lsearch $equivL $var] == -1} {
3626	set v $var
3627	} else {
3628	set v [lindex $equivL 0]
3629	}
3630	catch {
3631	expr [set val $tmpvar($v)]
3632	if {[phaseinfo $expgui(curPhase) $var] != $val} {
3633	phaseinfo $expgui(curPhase) $var set $val
3634	set entryvar($var) $val
3635	incr expgui(changed)
3636	set change 1
3637	}
3638	}
3639	}
3640	foreach var {alpha beta gamma} {
3641	if {[lsearch $equivA $var] == -1} {
3642	set v $var
3643	} else {
3644	set v [lindex $equivA 0]
3645	}
3646	catch {
3647	expr [set val $tmpvar($v)]
3648	if {[phaseinfo $expgui(curPhase) $var] != $val} {
3649	phaseinfo $expgui(curPhase) $var set $val
3650	set entryvar($var) $val
3651	incr expgui(changed)
3652	set change 1
3653	}
3654	}
3655	}
3656	if {$change} {
3657	# set the powpref warning (1 = suggested)
3658	if {$expgui(needpowpref) == 0} {set expgui(needpowpref) 1}
3659	append expgui(needpowpref_why) "\tCell parameters were changed\n"
3660	}
3661	}
3662	unset tmpvar
3663	}
3664
3665	# highlight errors in unit cell constants
3666	proc TestCellEdit {var elem mode} {
3667	global tmpvar entrybox
3668	if {[catch {expr $tmpvar($elem)} errmsg]} {
3669	catch {$entrybox($elem) config -fg red}
3670	} else {
3671	catch {$entrybox($elem) config -fg black}
3672	}
3673	}
3674
3675	#-----------------------------------------------------------------------------
3676	proc MakeHistPane {} {
3677	#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
3678	global expgui
3679
3680	grid columnconfigure $expgui(histFrame) 0 -weight 1
3681	grid rowconfigure $expgui(histFrame) 1 -weight 1
3682	grid rowconfigure $expgui(histFrame) 2 -weight 1
3683	grid rowconfigure $expgui(histFrame) 3 -weight 1
3684
3685	grid [frame $expgui(histFrame).hs -class HistList] \
3686	-column 0 -row 0 -rowspan 10 -sticky nsew
3687	MakeHistBox $expgui(histFrame).hs
3688	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
3689	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
3690	DisplayHistogram
3691	}
3692	bind $expgui(histFrame).hs.lbox <Button-3> {
3693	if $expgui(globalmode) {
3694	$expgui(histFrame).hs.lbox selection set 0 end
3695	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
3696	DisplayHistogram
3697	}
3698	}
3699
3700	frame $expgui(histFrame).top -borderwidth 4 -relief groove
3701	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
3702	if $expgui(haveBW) {
3703	foreach item {backBox diffBox absBox} num {2 3 4} \
3704	title {Background "Diffractometer Constants" \
3705	"Absorption/Reflectivity Correction"} {
3706	TitleFrame $expgui(histFrame).$item \
3707	-borderwidth 4 -side left -relief groove -text $title
3708	set expgui($item) [$expgui(histFrame).$item getframe]
3709	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
3710	grid rowconfigure $expgui(histFrame) $num -minsize 100
3711	}
3712	} else {
3713	foreach item {backBox diffBox absBox} num {1 2 3} \
3714	title {Background "Diffractometer Constants" \
3715	"Absorp./Reflect. Corr"} {
3716	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
3717	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
3718	set expgui($item) $expgui(histFrame).$item
3719	grid [label $expgui(histFrame).$item.title -text $title] \
3720	-row 0 -column 0 -columnspan 10 -sticky nw
3721	}
3722	}
3723
3724	grid [frame $expgui(histFrame).bb] -column 1 -row 6
3725	if [file executable $expgui(exptool)] {
3726	button $expgui(histFrame).bb.newh -text "Add New\nHistogram" \
3727	-command MakeAddHistBox
3728	grid $expgui(histFrame).bb.newh -column 0 -row 1
3729	}
3730	button $expgui(histFrame).bb.excl \
3731	-text "Set Data Limits &\nExcluded Regions" -command excledit
3732	grid $expgui(histFrame).bb.excl -column 1 -row 1
3733
3734	button $expgui(histFrame).bb.use -text "Set Histogram\nUse Flags" \
3735	-command SetHistUseFlags
3736	grid $expgui(histFrame).bb.use -column 2 -row 1
3737
3738	# BACKGROUND information.
3739	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
3740	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
3741	grid [label $expgui(backBox).frm1.lBGType \
3742	-textvariable expgui(backtypelbl)] \
3743	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3744	grid [label $expgui(backBox).frm1.lBGTerms \
3745	-textvariable expgui(backtermlbl)] \
3746	-row 1 -column 1 -sticky nws -padx 2 -pady 3
3747	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
3748	-command editbackground] \
3749	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
3750	grid [frame $expgui(backBox).frm2 ] \
3751	-row 1 -column 0 -columnspan 11 -sticky e
3752	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
3753	-row 2 -column 1 -sticky news -padx 4 -pady 3
3754	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
3755	-variable entryvar(bref) ] \
3756	-row 2 -column 2 -sticky news -padx 4 -pady 3
3757	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
3758	-row 2 -column 3 -sticky w -padx 2 -pady 3
3759	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
3760	grid $expgui(backBox).frm2.om \
3761	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
3762	# Absorption information.
3763	grid [label $expgui(absBox).rf1 -text " Refine Abs./Refl." ] \
3764	-row 2 -column 1 -sticky news -padx 4 -pady 3
3765	grid [checkbutton $expgui(absBox).rf2 -text "" \
3766	-variable entryvar(absref) ] \
3767	-row 2 -column 2 -sticky news -padx 4 -pady 3
3768	grid [label $expgui(absBox).d1 -text Damping ] \
3769	-row 2 -column 3 -sticky w -padx 2 -pady 3
3770	tk_optionMenu $expgui(absBox).d2 entryvar(absdamp) 0 1 2 3 4 5 6 7 8 9
3771	grid $expgui(absBox).d2 \
3772	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
3773	grid [button $expgui(absBox).edit -textvariable expgui(abslbl) \
3774	-command editabsorption] \
3775	-row 2 -column 5 -sticky w -padx 2 -pady 3
3776
3777	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3778	# insert the histograms & resize in case the pane needs more space
3779	sethistlist
3780	ResizeNotebook
3781	}
3782	###############################################################################
3783	proc MakeScalingPane {} {
3784	#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
3785	global expgui entryvar entrybox
3786
3787	pack [frame $expgui(fracFrame).hs -class HistList] \
3788	-side left -expand y -fill both
3789	MakeHistBox $expgui(fracFrame).hs
3790	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
3791	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3792	DisplayFrac
3793	}
3794	bind $expgui(fracFrame).hs.lbox <Button-3> {
3795	if $expgui(globalmode) {
3796	$expgui(fracFrame).hs.lbox selection set 0 end
3797	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3798	DisplayFrac
3799	}
3800	}
3801
3802	pack [frame $expgui(fracFrame).f1] -fill both -expand true
3803	# Create a large canvas area containing a frame for each phase in the data set.
3804	# The canvas and vertical scrollbar are inside a frame called f1
3805	if $expgui(haveBW) {
3806	TitleFrame $expgui(fracFrame).f1.scaleBox \
3807	-borderwidth 4 -text "Scale Factor"
3808	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
3809	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3810	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
3811	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
3812	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3813	} else {
3814	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
3815	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3816	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
3817	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
3818	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3819	}
3820	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
3821	-row 1 -column 1 -sticky ew -padx 4 -pady 3
3822	set entrybox(scale) $expgui(scaleBox).ent1
3823
3824	button $expgui(scaleBox).but1 -text "Set Globally" \
3825	-command "editglobalparm histinfo scale {Scale Factor}"
3826
3827	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
3828	-row 1 -column 2 -sticky nws -padx 2 -pady 3
3829	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
3830	-row 1 -column 3 -sticky news -padx 4 -pady 3
3831	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3832	-row 1 -column 4 -sticky w -padx 2 -pady 3
3833	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3834	grid $expgui(scaleBox).om \
3835	-row 1 -column 5 -sticky news -padx 4 -pady 3
3836	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3837
3838	if $expgui(haveBW) {
3839	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3840	-text "Phase Fractions" -relief groove] \
3841	-sticky news -row 1 -column 0 -columnspan 2
3842	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3843	} else {
3844	set PhaseFractBox $expgui(fracFrame).f1
3845	}
3846	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3847	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3848
3849	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3850	-scrollregion {0 0 5000 500} \
3851	-yscrollcommand "$PhaseFractBox.yscroll set" \
3852	-width 500 -height 350 -bg lightgrey]] \
3853	-sticky news -row 1 -column 0
3854	grid [scrollbar $PhaseFractBox.yscroll \
3855	-command "$expgui(FracBox) yview" \
3856	-orient vertical] \
3857	-sticky ns -row 1 -column 1
3858	frame $expgui(FracBox).f -bd 0
3859	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3860
3861	# the rest of the page is created in DisplayFrac
3862
3863	# insert the histograms & resize in case the pane needs more space
3864	sethistlist
3865	ResizeNotebook
3866	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3867	}
3868	###############################################################################
3869	proc MakeProfilePane {} {
3870	global expgui
3871	# 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
3872	pack [frame $expgui(profFrame).hs -class HistList] \
3873	-side left -expand y -fill both
3874	MakeHistBox $expgui(profFrame).hs
3875	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3876	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3877	DisplayProfile
3878	}
3879	bind $expgui(profFrame).hs.lbox <Button-3> {
3880	if $expgui(globalmode) {
3881	$expgui(profFrame).hs.lbox selection set 0 end
3882	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3883	DisplayProfile
3884	}
3885	}
3886
3887	# Create a large canvas area containing a frame for each phase in the data set.
3888	# The canvas and vertical scrollbar are inside a frame called f1
3889	pack [frame $expgui(profFrame).f1] -fill both -expand true
3890	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3891	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3892	-sticky news -row 0 -column 0
3893	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3894	-sticky ns -row 0 -column 1
3895
3896	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3897	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3898
3899	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3900	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3901	frame $expgui(ProfileBox).f -bd 0
3902	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3903
3904	# insert the histograms & resize in case the pane needs more space
3905	sethistlist
3906	ResizeNotebook
3907	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3908	}
3909
3910	##############################################################################
3911	# 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
3912	array set printopts {
3913	0 "Print the reciprocal metric tensor changes"
3914	1 "Print the correlation matrix"
3915	2 "Print the Least-Squares matrices and vectors"
3916	4 "Print the linear constraint matrices"
3917	5 "Print the applied shifts and shift factors"
3918	6 "Print the reciprocal metric tensor Var-Covar terms"
3919	7 "Print all parameters for each cycle"
3920	8 "Print summary shift/esd data after last cycle"
3921	9 "Print zero/unit pole figure constraint terms"
3922	}
3923	pack [frame $expgui(lsFrame).hs -class HistList] \
3924	-side left -expand y -fill both
3925	MakeHistBox $expgui(lsFrame).hs
3926	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3927	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3928	SetupExtractHist
3929	}
3930	bind $expgui(lsFrame).hs.lbox <Button-3> {
3931	if $expgui(globalmode) {
3932	$expgui(lsFrame).hs.lbox selection set 0 end
3933	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3934	SetupExtractHist
3935	}
3936	}
3937
3938	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3939	set row 0
3940	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3941	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3942	-textvariable expgui(last_History)] \
3943	-row $row -column 1 -columnspan 5 -sticky w
3944	incr row
3945	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3946	grid [entry $expgui(lsFrame).f1.tit2 \
3947	-textvariable entryvar(title) -width 48] \
3948	-row $row -column 1 -columnspan 5 -sticky w
3949	set entrycmd(title) "expinfo title"
3950
3951	incr row
3952	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3953	incr row
3954	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3955	-row $row -column 0 -columnspan 2 -pady 3 -sticky s
3956	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3957	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3958	-textvariable entryvar(cycles)] -row 0 -column 1
3959	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3960
3961	grid [frame $expgui(lsFrame).f1.cv -bd 4 -relief groove] \
3962	-row $row -column 2 -sticky ew
3963	grid [label $expgui(lsFrame).f1.cv.l -text "Convgerence Criterion"] \
3964	-row 0 -column 0 -columnspan 2
3965	grid [label $expgui(lsFrame).f1.cv.v -textvariable expgui(convlbl)] -row 1 -column 0
3966	grid [scale $expgui(lsFrame).f1.cv.s -orient horizontal \
3967	-from -200 -to 200 -showvalue 0 -command SetConv -resolution 10 \
3968	-variable expgui(convg)] -row 1 -column 1
3969
3970	incr row
3971	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3972	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3973	] -row $row -column 0 -columnspan 2
3974	menu $expgui(lsFrame).f1.lprint.menu
3975	foreach num [lsort [array names printopts]] {
3976	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3977	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3978	-variable entryvar(printopt$num)
3979	}
3980
3981	grid [frame $expgui(lsFrame).f1.marq -bd 4 -relief groove] \
3982	-row $row -column 2 -sticky ew
3983	grid [label $expgui(lsFrame).f1.marq.l -text "Marquardt Damping"] \
3984	-row 0 -column 0 -columnspan 2
3985	grid [label $expgui(lsFrame).f1.marq.v -textvariable expgui(marq)] \
3986	-row 1 -column 0
3987	grid [scale $expgui(lsFrame).f1.marq.s -orient horizontal \
3988	-from 1.0 -to 9.99 -showvalue 0 -command SetMarq -resolution 0.01 \
3989	-variable expgui(marq)] -row 1 -column 1
3990
3991	incr row
3992	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3993
3994	incr row
3995	if {$expgui(haveBW)} {
3996	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3997	-text "Reflection Intensity Extraction" \
3998	] -row $row -column 0 -columnspan 6
3999	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
4000	} else {
4001	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
4002	] -row $row -column 0 -columnspan 6
4003	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
4004	}
4005
4006	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
4007	-row 0 -column 8 -columnspan 3 -sticky ens
4008	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
4009	-row 0 -column 2
4010	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
4011	-variable entryvar(fobsextract)] -row 0 -column 3
4012
4013	grid [frame $expgui(FobsExtractFrame).d -bd 4 -relief groove] \
4014	-row 0 -column 3 -columnspan 5 -sticky ens
4015	grid [label $expgui(FobsExtractFrame).d.fol -text "LeBail damping"] \
4016	-row 0 -column 2
4017	tk_optionMenu $expgui(FobsExtractFrame).d.d entryvar(LBdamp) \
4018	0 1 2 3 4 5 6 7 8 9
4019	grid $expgui(FobsExtractFrame).d.d -row 0 -column 3
4020	incr row
4021	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
4022
4023
4024
4025	foreach num {1 2 3 4 5 6 7 8 9} {
4026	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
4027	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
4028	-command "HistExtractSet $num" \
4029	-variable expgui(Fextract$num) -value 0] \
4030	-row 2 -column $num
4031	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
4032	-command "HistExtractSet $num" \
4033	-variable expgui(Fextract$num) -value 1] \
4034	-row 3 -column $num
4035	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
4036	-command "HistExtractSet $num" \
4037	-variable expgui(Fextract$num) -value 2] \
4038	-row 4 -column $num
4039	}
4040	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
4041	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
4042	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
4043
4044	grid [label $expgui(FobsExtractFrame).t \
4045	-text "Extraction\nMethod" -anchor c] \
4046	-column 0 -row 0 -sticky n
4047	grid [label $expgui(FobsExtractFrame).t0 -text "(Phase #)" -anchor c] \
4048	-column 10 -row 1 -sticky w
4049	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
4050	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
4051	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
4052	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
4053	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
4054
4055	proc InitLSvars {} {
4056	global expgui
4057	set expgui(convg) [set expgui(convinit) [expinfo convg]]
4058	set expgui(convlbl) [format %5.2f [expr pow(10,$expgui(convg)/100.)]]
4059	set expgui(marq) [set expgui(marqinit) [expinfo marq]]
4060	}
4061	proc SetConv {x} {
4062	global expgui
4063	if {$x != $expgui(convinit) && $expgui(changed) <= 0} {
4064	incr expgui(changed)
4065	}
4066	if {$expgui(changed)} {expinfo convg set $x}
4067	set expgui(convlbl) [format %5.2f [expr {pow(10,$x/100.)}]]
4068	}
4069	proc SetMarq {x} {
4070	global expgui
4071	if {$x != $expgui(marqinit) && $expgui(changed) <= 0} {
4072	incr expgui(changed)
4073	}
4074	if {$expgui(changed)} {expinfo marq set $x}
4075	}
4076	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
4077	#-------------------------------------------------------------------------
4078	#-------------------------------------------------------------------------
4079	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
4080
4081	#---- file menu button
4082	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
4083	menu $expgui(fm).file.menu
4084	if $expgui(debug) {
4085	$expgui(fm).file.menu add command -label "Reset" -command "reset"
4086	}
4087	if {$expgui(shell)} {
4088	$expgui(fm).file.menu add command -label "Open" -command readnewexp
4089	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
4090	}
4091	$expgui(fm).file.menu add command -label "Save" -underline 0 \
4092	-command savearchiveexp
4093	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
4094	$expgui(fm).file.menu add command -label "Save As" \
4095	-command "SaveAsFile"
4096	$expgui(fm).file.menu add command -label "Reread .EXP file" \
4097	-command {rereadexp $expgui(expfile)}
4098
4099	#---- help menu button
4100	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
4101	menu $expgui(fm).help.menu
4102	$expgui(fm).help.menu add command -command showhelp -underline 0 \
4103	-label "Help Summary"
4104	$expgui(fm).help.menu add command -command MakeWWWHelp \
4105	-label "Help on current pane"
4106	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
4107	-label "Help on menu"
4108	if {![catch {package require tkcon} errmsg]} {
4109	$expgui(fm).help.menu add command -label "Open console" \
4110	-command {tkcon show}
4111	} elseif {$tcl_platform(platform) == "windows"} {
4112	$expgui(fm).help.menu add command -label "Open console" \
4113	-command {console show}
4114	}
4115	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
4116	# define help actions
4117	bind . <Key-F1> MakeWWWHelp
4118	$expgui(fm).help.menu add command -label "About..." -command About
4119	$expgui(fm).help.menu add command -label "Cite..." -command Cite
4120
4121	#---- options menu button
4122	menubutton $expgui(fm).option -text Options \
4123	-menu $expgui(fm).option.menu
4124	menu $expgui(fm).option.menu
4125
4126	if {$expgui(shell)} {
4127	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
4128	-variable expgui(archive)
4129	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
4130	-variable expgui(disaglSeparateBox)
4131	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
4132	-variable expgui(autoexpload)
4133	$expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \
4134	-variable expgui(autoiconify)
4135	if {$tcl_platform(platform) == "windows" && \
4136	$tcl_platform(os) == "Windows 95"} {
4137	$expgui(fm).option.menu add checkbutton -label "Autostart GRWND" \
4138	-variable expgui(autoGRWND)
4139	}
4140	}
4141	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
4142	-label "Sort atoms by"
4143
4144	set expgui(asorttype) number
4145	menu $expgui(fm).option.menu.asort
4146	foreach opt {number type mult x y z occupancy} {
4147	$expgui(fm).option.menu.asort add radiobutton -command {DisplayAllAtoms $expgui(curPhase)}\
4148	-label $opt -value $opt -variable expgui(asorttype)
4149	}
4150
4151	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
4152	-label "Sort histograms by"
4153
4154	set expgui(hsorttype) number
4155	menu $expgui(fm).option.menu.hsort
4156	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
4157	-label number -value number -variable expgui(hsorttype)
4158	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
4159	-label "Histogram type" -value type -variable expgui(hsorttype)
4160	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
4161	-label "Bank #" -value bank -variable expgui(hsorttype)
4162	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
4163	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
4164
4165	#---- Global mode menu button
4166	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
4167	-label "Multiple hist. selection"
4168	menu $expgui(fm).option.menu.editmode
4169	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
4170	-variable expgui(globalmode) -value 0 \
4171	-command sethistlist
4172	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
4173	-variable expgui(globalmode) -value 6 \
4174	-command sethistlist
4175	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
4176	-variable expgui(globalmode) -value 1 \
4177	-command sethistlist
4178	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
4179	-variable expgui(globalmode) -value 2 \
4180	-command sethistlist
4181	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
4182	-variable expgui(globalmode) -value 3 \
4183	-command sethistlist
4184	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
4185	-variable expgui(globalmode) -value 4 \
4186	-command sethistlist
4187	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
4188	-variable expgui(globalmode) -value 5 \
4189	-command sethistlist
4190	$expgui(fm).option.menu.editmode add separator
4191	$expgui(fm).option.menu.editmode add checkbutton \
4192	-label "Group phases together" \
4193	-variable expgui(globalphasemode) \
4194	-command sethistlist
4195
4196	set expgui(globalmode) 0
4197	set expgui(globalphasemode) 1
4198
4199	if {$tcl_platform(platform) == "unix"} {
4200	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
4201	-variable env(GSASBACKSPACE)
4202	}
4203
4204	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.font \
4205	-label "Screen font"
4206	menu $expgui(fm).option.menu.font
4207	foreach f {10 11 12 13 14 16 18 20 22} {
4208	$expgui(fm).option.menu.font add radiobutton \
4209	-command {SetTkDefaultOptions $expgui(font); ResizeFont .; ResizeNotebook} \
4210	-label $f -value $f -variable expgui(font) -font "Helvetica -$f"
4211	}
4212
4213	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
4214	-variable expgui(showexptool)
4215	$expgui(fm).option.menu add command -label "Save Options" \
4216	-command "SaveOptions"
4217
4218	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
4219
4220	if {$expgui(shell)} {
4221	foreach menu $expgui(menunames) {
4222	set m [string tolower $menu]
4223	pack [menubutton $expgui(fm).$m -text $menu \
4224	-menu $expgui(fm).$m.menu] -side left
4225	menu $expgui(fm).$m.menu
4226	}
4227	}
4228	pack $expgui(fm).help -side right -in $expgui(fm)
4229
4230	if {$expgui(shell)} {
4231	# add an export command to the last menu that gets filled in later
4232	$expgui(fm).$m.menu add cascade -label "Coord Export" \
4233	-menu $expgui(fm).$m.menu.coordexp
4234	menu $expgui(fm).$m.menu.coordexp \
4235	-postcommand "BuildCoordExpMenu $expgui(fm).$m.menu.coordexp"
4236	$expgui(fm).$m.menu.coordexp add command -label "Building menu" \
4237	-state disabled
4238	$expgui(fm).$m.menu.coordexp add command -label "Please wait..." \
4239	-state disabled
4240
4241	$expgui(fm).$m.menu add cascade -label "CIF Export" \
4242	-menu $expgui(fm).$m.menu.cifexp
4243	menu $expgui(fm).$m.menu.cifexp
4244	$expgui(fm).$m.menu.cifexp add command -label gsas2cif \
4245	-command "runGSASwEXP gsas2cif"
4246	$expgui(fm).$m.menu.cifexp add command -label FillTemplate \
4247	-command "exec $wishshell [file join $expgui(scriptdir) fillcif.tcl] \[file root \[file tail \$expgui(expfile)]]"
4248	$expgui(fm).$m.menu.cifexp add command -label CIFselect \
4249	-command {
4250	if {[info procs CIFselect] == ""} {
4251	source [file join $expgui(scriptdir) cifselect.tcl]
4252	}
4253	CIFselect $expgui(expfile)
4254	}
4255	# add the commands in expgui_menulist
4256	foreach menu [array names expgui_menulist ] {
4257	foreach cmd $expgui_menulist($menu) {
4258	set action {}
4259	set opt {}
4260	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
4261	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
4262	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
4263	if {$action != "" && $action != "-"} {
4264	eval $expgui(fm).$menu.menu add command \
4265	-label $cmd $opt -command [list [subst $action]]
4266	if {[lindex $opt 0] == "-underline"} {
4267	catch {
4268	set num [lindex $opt 1]
4269	set key [string range $cmd $num $num]
4270	bind . <Alt-[string tolower $key]> [subst $action]
4271	bind . <Alt-[string toupper $key]> [subst $action]
4272	}
4273	}
4274	}
4275	}
4276	}
4277	}
4278	# setup command help
4279	foreach cmd [array names expgui_cmdlist] {
4280	set help {}
4281	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
4282	if {$help == ""} {
4283	if {$expgui(debug)} {puts "no help for $cmd"}
4284	} else {
4285	# remove
4286	regsub -all \x09 $help " " help
4287	# preserve blank lines
4288	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
4289	regsub -all \x0A $help " " help
4290	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
4291	regsub -all " +" $help " " help
4292	set expgui_helplist($cmd) [string trim $help]
4293	}
4294	}
4295	if {$expgui(shell)} {
4296	# set up button bar
4297	foreach cmd $expgui(buttonlist) {
4298	set action {}
4299	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
4300	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
4301	if {$action != ""} {
4302	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
4303	-padx 2m -pady 0 \
4304	-text $cmd -command [list [subst $action]]] -side left
4305	}
4306	}
4307	}
4308
4309	if {$tcl_platform(os) == "Darwin"} {
4310	# $expgui(fm).file.menu add command -label "Create AppleScript" -command MakeAppleScript
4311	$expgui(fm).option.menu add checkbutton -label "Assign app to .EXP files" \
4312	-variable expgui(MacAssignApp)
4313	}
4314	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
4315	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
4316	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
4317
4318	# make the phase pane -- this must be done before setphases
4319	# can be called (in loadexp)
4320	MakePhasePane
4321	# and the rest of the windows w/o BWidget
4322	if {!$expgui(haveBW)} {
4323	MakeHistPane
4324	MakeScalingPane
4325	MakeProfilePane
4326	}
4327
4328	# handle indirect exits
4329	wm protocol . WM_DELETE_WINDOW catchQuit
4330	bind . <Control-c> catchQuit
4331
4332	set expgui(pagenow) ""
4333	set expgui(curhist) {}
4334	set expgui(selectedatomlist) {}
4335
4336	loadexp $expgui(expfile)
4337
4338	# reset the phase selection
4339	set expgui(curPhase) {}
4340	# select the first histogram in the list by default (if there are any)
4341	if {[llength $expmap(histlistboxcontents)] > 0} {
4342	set expgui(curhist) 0
4343	} else {
4344	set expgui(curhist) {}
4345	}
4346
4347	# execute any local commands for final initialization
4348	eval $expgui(initstring)
4349
4350	# resize the notebook to fit all the tabs and the largest page
4351	ResizeNotebook
4352	if {$expgui(resize)} {
4353	# this appears to be needed by OSX
4354	update
4355	wm geom . [winfo reqwidth .]x[winfo reqheight .]
4356	# center the EXPGUI window
4357	wm withdraw .
4358	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
4359	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
4360	wm geom . +$x+$y
4361	wm deiconify .
4362	}
4363
4364	RaisePage lsFrame
4365	if {[CountHistory] > 200} {
4366	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
4367	}

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