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source: trunk/expgui @ 428

Last change on this file since 428 was 428, checked in by toby, 14 years ago
# on 2001/09/04 22:56:15, toby did: Add Data Limits/Exclude? button
Property rcs:author set to `toby` Property rcs:date set to `2001/09/04 22:56:15` Property rcs:lines set to `+8 -3` Property rcs:rev set to `1.46` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 127.1 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 428 2009-12-04 23:06:00Z toby $
3	set expgui(Revision) {$Revision: 428 $ $Date: 2009-12-04 23:06:00 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"EXPGUI requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	# the shell variable tells expgui to act as a shell for GSAS
38	# as well as edit the EXP file. In no-shell mode, it can
39	# only be used to edit the .EXP file as a callable program
40	set expgui(shell) 1
41	catch {if $env(EXPGUI_NOSHELL) {set expgui(shell) 0}}
42
43	if {$argv != ""} {
44	if {[string match noshell [string tolower $argv]]} {
45	puts noshell
46	set expgui(shell) 0
47	set expgui(expfile) [lindex $argv 1]
48	} else {
49	set expgui(expfile) [lindex $argv 0]
50	}
51	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
52	append expgui(expfile) ".EXP"
53	}
54	} else {
55	set expgui(expfile) {}
56	}
57
58	set expgui(curhist) {}
59	set expmap(powderlist) {}
60	set expgui(bkgcolor1) #fdf
61
62	set expgui(debug) 0
63	catch {if $env(DEBUG) {set expgui(debug) 1}}
64	#set expgui(debug) 1
65
66	# location for web pages, if not found locally
67	set expgui(website) www.ncnr.nist.gov/xtal/software/expgui
68	# default for archive mode = on
69	set expgui(archive) 1
70	# default for autoexec load = off
71	set expgui(autoexpload) 0
72	# by default expgui is iconified while GENLES, etc runs
73	set expgui(autoiconify) 1
74	# default for show EXPTOOL output = off
75	set expgui(showexptool) 0
76	# save the name of the wish executable
77	set wishshell [info nameofexecutable]
78	# misc constants
79	set txtvw(font) "Courier"
80	set expgui(font) 14
81	set liveplot(hst) 1
82	set liveplot(legend) 1
83	set expgui(filesort) 1
84	set expgui(initstring) {}
85	# use a separate window for DISAGL (default)
86	set expgui(disaglSeparateBox) 1
87	set expgui(DefaultPeakType) 0
88	# default: keep current atoms when replacing a phase
89	set expgui(DeleteAllAtoms) 0
90	#=============================================================================
91	#----------------------------------------------------------------
92	# where are we?
93	set expgui(script) [info script]
94	# translate links -- go six levels deep
95	foreach i {1 2 3 4 5 6} {
96	if {[file type $expgui(script)] == "link"} {
97	set link [file readlink $expgui(script)]
98	if { [file pathtype $link] == "absolute" } {
99	set expgui(script) $link
100	} {
101	set expgui(script) [file dirname $expgui(script)]/$link
102	}
103	} else {
104	break
105	}
106	}
107	# fixup relative paths
108	if {[file pathtype $expgui(script)] == "relative"} {
109	set expgui(script) [file join [pwd] $expgui(script)]
110	}
111	set expgui(scriptdir) [file dirname $expgui(script) ]
112	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
113	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
114	set expgui(docdir) [file join $expgui(scriptdir) doc]
115	#----------------------------------------------------------------
116	lappend auto_path $expgui(scriptdir)
117	set expgui(havetix) 0
118	set expgui(haveBW) 1
119	# for debugging non-BWidget version set environment variable NOBWIDGET
120	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
121	if $expgui(haveBW) {
122	if [catch {package require BWidget}] {set expgui(haveBW) 0}
123	}
124	# get the notebook widget if not using BWidgets
125	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
126	#----------------------------------------------------------------
127	source [file join $expgui(scriptdir) opts.tcl]
128	# fetch EXP file processing routines
129	source [file join $expgui(scriptdir) readexp.tcl]
130	# commands for running GSAS programs
131	source [file join $expgui(scriptdir) gsascmds.tcl]
132	# contents of GSAS menus
133	source [file join $expgui(scriptdir) gsasmenu.tcl]
134	# commands for adding phases, histograms & atoms
135	source [file join $expgui(scriptdir) addcmds.tcl]
136	# commands for preferred orientation
137	source [file join $expgui(scriptdir) orient.tcl]
138	#---------------------------------------------------------------------------
139	# override options with locally defined values
140	if [file exists [file join $expgui(scriptdir) localconfig]] {
141	source [file join $expgui(scriptdir) localconfig]
142	}
143	if [file exists [file join ~ .gsas_config]] {
144	source [file join ~ .gsas_config]
145	}
146	SetTkDefaultOptions $expgui(font)
147	#---------------------------------------------------------------------------
148	# platform-specific code
149	if {$tcl_platform(platform) == "windows" \
150	&& $tcl_platform(os) == "Windows 95"} {
151	if [catch {package require winexec}] {
152	MyMessageBox -parent . -title "WINEXEC Error" \
153	-message "Error -- Unable to load the WINEXEC package. This is needed in Win95 machines" \
154	-icon error -type Quit -default quit \
155	-helplink "expgui_Win_readme.html Winexec"
156	destroy .
157	}
158	}
159	if {$tcl_platform(platform) == "windows"} {
160	# check the path -- can DOS use it?
161	if {[string first {\\} $expgui(script) ] != -1} {
162	MyMessageBox -parent . -title "Invalid Path" \
163	-message {Error -- You cannot run EXPGUI/GSAS from a network drive unless it is mapped to a "drive" (like F:). Use "Map network drive" to access this directory} \
164	-icon error -type {"Limp Ahead"} -default "limp ahead" \
165	-helplink "expgui_Win_readme.html NetPath"
166	}
167	#
168	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
169	} else {
170	set expgui(exptool) [file join $expgui(gsasexe) exptool]
171	if [catch {set env(GSASBACKSPACE)}] {set env(GSASBACKSPACE) 1}
172	}
173	# do we have a PGPLOT fonts file?
174	# if it is in the "wrong" place/name -- make it "right"
175	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
176	[file exists [file join $expgui(gsasdir) fonts grfont.dat]]} {
177	catch {file mkdir [file join $expgui(gsasdir) pgl]}
178	file copy [file join $expgui(gsasdir) fonts grfont.dat] \
179	[file join $expgui(gsasdir) pgl grfont.dat]
180	}
181	# do we have a PGPLOT fonts file?
182	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
183	[file exists [file join $expgui(gsasdir) fonts pgfont.dat]]} {
184	catch {file mkdir [file join $expgui(gsasdir) pgl]}
185	file copy [file join $expgui(gsasdir) fonts pgfont.dat] \
186	[file join $expgui(gsasdir) pgl grfont.dat]
187	}
188	# do we have a PGPLOT fonts file?
189	if {![file exists [file join $expgui(gsasdir) pgl grfont.dat]] && \
190	[file exists [file join $expgui(gsasdir) pgl pgfont.dat]]} {
191	file copy [file join $expgui(gsasdir) pgl pgfont.dat] \
192	[file join $expgui(gsasdir) pgl grfont.dat]
193	}
194	if ![file exists [file join $expgui(gsasdir) pgl grfont.dat]] {
195	MyMessageBox -parent . -title "PGPLOT Error" \
196	-message "Warning -- Unable to find file GRFONT.DAT in [file join $expgui(gsasdir) pgl]. GSAS graphics will not work. Is GSAS correctly installed?" \
197	-icon warning -type {"Limp Ahead"} -default "Limp Ahead" \
198	-helplink "expguierr.html NoPGPLOT"
199	}
200	#---------------------------------------------------------------------------
201	if {$expgui(expfile) != ""} {
202	if ![file exists $expgui(expfile)] {
203	update
204	set ans [
205	MyMessageBox -parent . -title "File Open Error" \
206	-message "File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]. OK to create?" \
207	-icon question -type {"Select other" "Create"} -default "select other" \
208	-helplink "expguierr.html OpenErr"
209	]
210	if {[string tolower $ans] != "create"} {set expgui(expfile) {}}
211	}
212	}
213	if {$expgui(expfile) == ""} {
214	# center the parent window because the getExpFileName window
215	# will be centered above it.
216	wm withdraw .
217	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
218	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
219	wm geom . +$x+$y
220	wm deiconify .
221	# windows needed this update before when using tk_getOpenFile.
222	# I am not sure it is still needed.
223	update
224	#
225	set expgui(expfile) [getExpFileName old]
226	}
227	if {$expgui(expfile) == ""} exit
228	# you've been warned this .EXP does not exist!
229	if ![file exists $expgui(expfile)] {
230	# create an "empty" exp file
231	createexp $expgui(expfile) \
232	[getstring "title for experiment $expgui(expfile)" 60 0]
233	}
234	catch {cd [string trim [file dirname $expgui(expfile)]]}
235
236	#
237	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
238	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
239	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
240	# load exp file and set up dialogs
241	proc loadexp {expfile} {
242	global expgui expmap entryvar entrycmd tcl_platform
243	# is this a compressed archive file?
244	if {[string match {*.EXP.[0-9][0-9][0-9].gz} $expfile] && \
245	$tcl_platform(platform) == "unix"} {
246	regexp {.*.EXP} $expfile rootname
247	if {[auto_execok gunzip] == ""} {
248	# tno gunzip -- bail out
249	MyMessageBox -parent . -title "Cannot Load Archived File" \
250	-message "Unable to find the gunzip program in your path. Loading this archived version of [file tail $rootname] requires the gzip program. Load gunzip or fix your path and then restart EXPGUI" \
251	-icon error
252	return
253	}
254	set ans [MyMessageBox -parent . -title "Load Archived File" \
255	-message "Loading archived version of [file tail $rootname]. Do you want to overwrite $rootname or save the archived version under a new name?" \
256	-icon question -type "{Use New Name} Overwrite"\
257	-default {Use New Name} \
258	-helplink "expguierr.html LoadArchived"
259	]
260	set fmt [expload $expfile]
261	if {$fmt < 0} {
262	# read error
263	return
264	}
265	set expgui(changed) 1
266	set expfile $rootname
267	if {$ans == "use new name"} {
268	SaveAsFile
269	set expfile $expgui(expfile)
270	}
271	# is this an uncompressed archive file?
272	} elseif {[string match {*.EXP.[0-9][0-9][0-9]} $expfile] && \
273	$tcl_platform(platform) == "unix"} {
274	regexp {.*.EXP} $expfile rootname
275	set ans [MyMessageBox -parent . -title "Load Archived File" \
276	-message "Loading archived version of [file tail $rootname]. Do you want to overwrite $rootname or save the archived version under a new name?" \
277	-icon question -type "{Use New Name} Overwrite"\
278	-default {Use New Name} \
279	-helplink "expguierr.html LoadArchived"
280	]
281	set fmt [expload $expfile]
282	if {$fmt < 0} {
283	# read error
284	return
285	}
286	set expgui(changed) 1
287	set expfile $rootname
288	if {$ans == "use new name"} {
289	SaveAsFile
290	set expfile $expgui(expfile)
291	}
292	} else {
293	set exploadtime [time {set fmt [expload $expfile]}]
294	if $expgui(debug) {puts "expload $exploadtime"}
295	# if the file was not in the correct format, force a rewrite before use
296	if {$fmt < 0} {
297	# read error
298	return
299	} elseif {$fmt == 1} {
300	set expgui(changed) 0
301	} else {
302	set expgui(changed) 1
303	}
304	}
305	# force exp files to be upper case, force save if name changes
306	set filetail [file tail $expfile]
307	set filetailcaps [string toupper $filetail]
308	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
309	set expgui(changed) 1
310	}
311	if {[file dirname $expfile] == "."} {
312	set expgui(expfile) $filetailcaps
313	} else {
314	set expgui(expfile) [file join \
315	[file dirname $expfile] $filetailcaps]
316	}
317
318	mapexp
319	set expgui(expModifiedLast) 0
320	catch {
321	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
322	}
323	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
324	# set the window/icon title
325	wm title . "EXPGUI $expfile"
326	set expgui(titleunchanged) 1
327	wm iconname . [file tail $expfile]
328
329	# set the number of phases on the phase page
330	setphases
331
332	# disable the "global options" that don't make sense based on
333	# which histograms present
334	foreach num {1 2 3 4 5} {
335	set flag($num) 0
336	}
337	# save a list of the allowed modes, too
338	set expgui(AllowedHistSelectModes) {0 6}
339	foreach h $expmap(powderlist) {
340	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
341	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
342	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
343	[histinfo $h lam2] != 0.0} {set flag(3) 1}
344	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
345	[histinfo $h lam2] == 0.0} {set flag(4) 1}
346	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
347	}
348	foreach num {1 2 3 4 5} \
349	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
350	"Energy Disp Xray"} {
351	if $flag($num) {
352	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
353	lappend expgui(AllowedHistSelectModes) $num
354	} else {
355	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
356	}
357	}
358	# disable traces on entryvar until we are ready
359	set entrycmd(trace) 0
360	trace vdelete entryvar w entvartrace
361
362	# propogate changes on the least squares page
363	set entryvar(cycles) [expinfo cycles]
364	set entrycmd(cycles) "expinfo cycles"
365	# set expgui(globalmode) 0
366	set expgui(printopt) "Print Options ([expinfo print])"
367	set entryvar(title) [expinfo title]
368	global printopts
369	foreach num [array names printopts] {
370	set entrycmd(printopt$num) "printsetting $num"
371	set entryvar(printopt$num) [printsetting $num]
372	}
373	# enable traces on entryvar
374	set entrycmd(trace) 1
375	trace variable entryvar w entvartrace
376
377	# set fo extraction on LS page
378	SetupExtractHist
379	# set convergence criterion
380	InitLSvars
381
382	# update the histogram list & update the page
383	sethistlist
384
385	# start checking for external changes
386	afterawhile
387	}
388
389	# called to reread the .EXP file
390	proc rereadexp {expfile} {
391	global expgui
392	if $expgui(changed) {
393	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
394	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
395	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
396	switch $decision {
397	0 { savearchiveexp }
398	1 { }
399	2 { return }
400	}
401	}
402	loadexp $expgui(expfile)
403	}
404
405	proc SaveAsFile {} {
406	global expgui
407	set newexpfile [getExpFileName new]
408	if {$newexpfile == ""} return
409	expwrite $newexpfile
410	set expgui(expfile) $newexpfile
411	catch {cd [string trim [file dirname $expgui(expfile)]]}
412	set expgui(changed) 0
413	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
414	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
415	# set the window/icon title
416	wm title . $expgui(expfile)
417	set expgui(titleunchanged) 1
418	wm iconname . [file tail $expgui(expfile)]
419	# set convergence criterion
420	InitLSvars
421	}
422
423	# called to read a different .EXP file
424	proc readnewexp {} {
425	global expgui expmap
426	if $expgui(changed) {
427	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
428	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
429	{} 0 "Save and read" "Read without Save" "Cancel read command"]
430	switch $decision {
431	0 { savearchiveexp }
432	1 { }
433	2 { return }
434	}
435	}
436	set newexpfile [getExpFileName old]
437	if {$newexpfile == ""} return
438
439	# switch to the 1st page
440	RaisePage lsFrame
441
442	if ![file exists $newexpfile] {
443	# you've been warned this .EXP does not exist!
444	# create an "empty" exp file
445	createexp $newexpfile \
446	[getstring "title for experiment $newexpfile" 60 0]
447	}
448	set expgui(expfile) $newexpfile
449	catch {cd [string trim [file dirname $expgui(expfile)]]}
450	set expgui(globalmode) 0
451	loadexp $expgui(expfile)
452
453	# select the 1st phase
454	SelectOnePhase [lindex $expmap(phaselist) 0]
455	# select the first histogram in the list by default (if there are any)
456	if {[llength $expmap(histlistboxcontents)] > 0} {
457	set expgui(curhist) 0
458	} else {
459	set expgui(curhist) {}
460	}
461	if {[CountHistory] > 100} {
462	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
463	}
464	}
465
466	#------------- set up data read/write layer ----------------------
467	# trace routine on entryvar
468	proc entvartrace {array elem action} {
469	global expgui entrycmd entryvar entrybox
470	if !$entrycmd(trace) return
471
472	catch {
473	if {$entrycmd($elem) == ""} return
474	incr expgui(changed)
475	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
476	if {$entrycmd($elem) == ""} return
477	if [catch {
478	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
479	if {!$result} {
480	if $expgui(debug) {puts "error with $entrycmd($elem)"}
481	catch {$entrybox($elem) config -fg red}
482	} else {
483	catch {$entrybox($elem) config -fg black}
484	}
485	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
486	after idle {DisplayAllAtoms noreset}
487	}
488	} errmsg] {error $errmsg}
489	}
490	}
491
492	# disable traces on entryvar until we are ready
493	set entrycmd(trace) 0
494	trace variable entryvar w entvartrace
495
496	#
497	#
498	#
499	##############################################################################
500	##### #####################################################
501	##### PROCEDURES SECTION #####################################################
502	##### #####################################################
503	##############################################################################
504
505	# save some of the global options in ~/.gsas_config
506	proc SaveOptions {} {
507	global expgui env tcl_platform
508	set fp [open [file join ~ .gsas_config] a]
509	foreach item {archive asorttype hsorttype filesort disaglSeparateBox font autoexpload autoiconify} {
510	puts $fp "set expgui($item) $expgui($item)"
511	}
512	if {$tcl_platform(platform) != "windows"} {
513	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
514	}
515	close $fp
516	}
517
518	proc About { } {
519	global expgui expmap
520	tk_dialog .about {About...} \
521	"EXPGUI\n\
522	Jonathan Wasserman and Brian Toby\n\
523	NIST Center for Neutron Research\n\n\
524	2000, Not subject to copyright\n\n\
525	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
526	Generalized Structure Analysis System (GSAS)\n\
527	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
528	" \
529	info 0 OK
530	}
531
532	# wait until idle
533	proc afterawhile {} {
534	# cancel any other instances of this loop
535	after cancel afterawhile
536	after cancel whenidle
537	after cancel whenidle
538	after idle whenidle
539	}
540
541	# This is called every 2 seconds to check for changes to the .EXP file
542	proc whenidle {} {
543	global expgui tcl_platform
544	if $expgui(titleunchanged) {
545	if {$expgui(changed) != 0} {
546	wm title . "$expgui(expfile) (modified)"
547	set expgui(titleunchanged) 0
548	}
549	}
550	if {$expgui(expModifiedLast) == 0} {
551	after 2000 afterawhile
552	return
553	}
554	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
555	# we are "locked". Note that whenidle loop will be restarted later
556	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
557	return
558	}
559	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
560
561	if {$ans == 0} {
562	loadexp $expgui(expfile)
563	} elseif {$ans == 1} {
564	# reset the time to the next version
565	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
566	} elseif {$ans == 2} {
567	SaveAsFile
568	}
569	}
570	after 2000 afterawhile
571	}
572
573	# place a message about changes over the main window
574	proc ReloadExpMsg {file changes} {
575	global expgui tcl_platform
576	set msg "File $file has been modified by another program"
577	if {$changes == 1} {
578	append msg " and you have made a change to this version.\n"
579	} elseif {$changes > 0} {
580	append msg " and you have made $changes changes to this version.\n"
581	} else {
582	append msg ".\n"
583	}
584	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
585
586	set w .ask
587	catch {destroy $w}
588	toplevel $w -class Dialog
589	wm title $w "Reload?"
590	wm iconname $w "Reload?"
591	wm protocol $w WM_DELETE_WINDOW { }
592	wm transient $w .
593	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
594	pack [button $w.help -text Help -bg yellow \
595	-command "MakeWWWHelp expguierr.html Overwrite"] \
596	-side top -anchor e
597	frame $w.bot
598	pack $w.bot -side bottom
599	frame $w.top -class FixedFont
600	pack $w.top -side top -fill both -expand 1
601	label $w.top.msg -justify left \
602	-wraplength 5i -font {Times 18} \
603	-text $msg
604	if {$tcl_platform(platform) == "windows"} {
605	$w.top.msg config -font {Times 14}
606	}
607	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
608	pack [button $w.bot.1 -text "Load new" \
609	-default active -command "set expgui(dialogbutton) 0" \
610	] -side left -expand 1 -padx 3m -pady 2m
611	pack [button $w.bot.2 -text "Continue with old" \
612	-command "set expgui(dialogbutton) 1"] \
613	-side left -expand 1 -padx 3m -pady 2m
614	if {$changes > 0} {
615	pack [button $w.bot.3 -text "Save edited version" \
616	-command "set expgui(dialogbutton) 2"] \
617	-side left -expand 1 -padx 3m -pady 2m
618	}
619	# Create a binding for <Return> on the dialog
620	bind $w <Return> "tkButtonInvoke $w.bot.1"
621	wm withdraw $w
622	update idletasks
623
624	# for windows put the box in the upper left, for
625	# unix center it over the parent (in unix it appears later)
626	#if {$tcl_platform(platform) == "windows"} {
627	#wm geom $w +0+0
628	#} else {
629
630	# for now, always center the message over the main window
631	# center the new window in the middle of the parent
632	set x [expr [winfo x .] + [winfo width .]/2 - \
633	[winfo reqwidth $w]/2 - [winfo vrootx .]]
634	set y [expr [winfo y .] + [winfo height .]/2 - \
635	[winfo reqheight $w]/2 - [winfo vrooty .]]
636	wm geom $w +$x+$y
637	#}
638	wm deiconify $w
639
640	# Grab the focus
641	set oldFocus [focus]
642	set oldGrab [grab current $w]
643	if {[string compare $oldGrab ""]} {
644	set grabStatus [grab status $oldGrab]
645	}
646	grab $w
647	focus $w.bot.1
648	# for windows rearrange window stacking
649	# -- Removed since this will normally happen after the GSAS program
650	# has finished
651	#if {$tcl_platform(platform) == "windows"} {
652	#lower .
653	#raise $w .
654	#}
655	update idletasks
656
657	tkwait variable expgui(dialogbutton)
658	catch {focus $oldFocus}
659	destroy $w
660	if {[string compare $oldGrab ""]} {
661	if {![string compare $grabStatus "global"]} {
662	grab -global $oldGrab
663	} else {
664	grab $oldGrab
665	}
666	}
667	# for windows rearrange window stacking
668	#if {$tcl_platform(platform) == "windows"} {
669	#raise .
670	#}
671	return $expgui(dialogbutton)
672	}
673
674	# -------- called to confirm before exiting
675	proc catchQuit {} {
676	if {[confirmBeforeSave] == "Continue"} {
677	destroy .
678	}
679	}
680	# save the .EXP file before exiting?
681	proc confirmBeforeSave {} {
682	global expgui
683	if !$expgui(changed) {
684	return "Continue"
685	}
686	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
687	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
688	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
689	switch $decision {
690	0 { savearchiveexp; return "Continue" }
691	1 { return "Continue" }
692	2 { return "Cancel" }
693	}
694	}
695
696	proc archiveexp {} {
697	global expgui tcl_platform
698	# is there a file to archive
699	if {![file exists $expgui(expfile)]} return
700	catch {
701	set expnam [file rootname $expgui(expfile)]
702	if {$tcl_platform(platform) == "windows"} {
703	set version -1
704	catch {source $expnam.version}
705	incr version
706	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
707	# archive w/o pkzip
708	set file $expnam![format "%3.3d" $version].EXP
709	file copy -force $expnam.EXP $file
710	set fp [open $expnam.lst a]
711	puts $fp "\n--------------------------------------------------------------"
712	puts $fp "Archiving $expnam.EXP as $file"
713	puts $fp "--------------------------------------------------------------\n"
714	close $fp
715	} else {
716	# archive with PKZIP
717	# need to limit expnam to 8 characters
718	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
719	# PKZIP can't handle long dir names either
720	cd [set dir [file dirname $expnam]]
721	set file $sexp.[format "%3.3d" $version]
722	file copy -force $expnam.EXP $file
723	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
724	set fp [open $expnam.lst a]
725	puts $fp "\n--------------------------------------------------------------"
726	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
727	puts $fp "--------------------------------------------------------------\n"
728	close $fp
729	}
730	set fp [open $expnam.version w]
731	puts $fp "set version $version"
732	close $fp
733	} else {
734	set files [glob -nocomplain $expnam.EXP.*]
735	if {$files == ""} {
736	set file $expnam.EXP.000
737	} else {
738	set number {}
739	foreach file [lsort -decreasing $files] {
740	if [catch {
741	regexp {.\.EXP\.([0-9][0-9][0-9]).} $file junk number
742	regexp {0?0?([0-9]*)} $number junk number
743	incr number
744	}] {
745	continue
746	} else {
747	break
748	}
749	}
750	if {$number == ""} {set number 0}
751	set file $expnam.EXP.[format "%3.3d" $number]
752	}
753	file copy $expgui(expfile) $file
754	if [catch {exec gzip $file}] {
755	exec echo "\n----------------------------------------------" >> $expnam.LST
756	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
757	exec echo "----------------------------------------------\n" >> $expnam.LST
758	} else {
759	exec echo "\n----------------------------------------------" >> $expnam.LST
760	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
761	exec echo "----------------------------------------------\n" >> $expnam.LST
762	}
763	}
764	} errmsg
765	if {$errmsg != ""} {
766	tk_dialog .warn Confirm "Error archiving the current .EXP file: $errmsg" warning 0 OK
767	}
768	}
769
770	# save and optionally archive the expfile
771	proc savearchiveexp {} {
772	global expgui expmap
773	if !$expgui(changed) return
774	if $expgui(archive) archiveexp
775	# add a history record
776	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
777	# now save the file
778	expwrite $expgui(expfile)
779	set expgui(changed) 0
780	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
781	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
782	wm title . $expgui(expfile)
783	set expgui(titleunchanged) 1
784	# set convergence criterion
785	InitLSvars
786	}
787
788	# setup buttons for each phase on the phase page
789	proc setphases {} {
790	global expgui expmap
791	eval destroy [winfo children $expgui(phaseFrame).top.ps]
792	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
793	foreach num $expmap(phaselist) type $expmap(phasetype) {
794	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
795	-command "SelectOnePhase $num" -padx 1.5m] -side left
796	if {$type > 3} {
797	$expgui(phaseFrame).top.ps.$num config -state disabled
798	}
799	}
800	if {[file executable $expgui(exptool)] && \
801	[llength $expmap(phaselist)]} {
802	pack [button $expgui(phaseFrame).top.ps.10 \
803	-text "Replace" -command MakeReplacePhaseBox \
804	] -side left
805	}
806	}
807
808	# Procedure to respond to changes the phase.
809	# This loads the "phases" widgets with data corresponding to the selected phase.
810	proc SelectOnePhase {num} {
811	global entryvar entrycmd entrybox expmap expgui
812	set crsPhase {}
813	$expgui(atomxform) config -text "Xform Atoms" -state disabled
814	foreach n $expmap(phaselist) type $expmap(phasetype) {
815	if {$n == $num && $type <= 3} {
816	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
817	set crsPhase $num
818	if {$type == 3} {
819	set expgui(phasetype) "Magnetic\nOnly"
820	} elseif {$type == 2} {
821	set expgui(phasetype) "Magnetic\n& Nuclear"
822	} elseif {$type == 4} {
823	# this is not used at present
824	set expgui(phasetype) "Macromolecular"
825	} else {
826	set expgui(phasetype) ""
827	}
828	} else {
829	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
830	}
831	}
832	# no phase is selected
833	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
834	# disable traces on entryvar
835	set entrycmd(trace) 0
836	set entrycmd(phasename) ""
837	set entryvar(phasename) ""
838	foreach ent {a b c alpha beta gamma cellref celldamp} {
839	set entrycmd($ent) ""
840	set entryvar($ent) ""
841	}
842	set expgui(curPhase) {}
843	# enable traces on entryvar
844	set entrycmd(trace) 1
845	$expgui(EditingAtoms) config -text ""
846	DisplayAtom 0 0
847	DisplayU 0 0
848	DisplayRefFlags 0 0
849	$expgui(atomlistbox) delete 0 end
850	return
851	}
852
853	set expgui(curPhase) $crsPhase
854	# we have a phase
855
856	# disable traces on entryvar for right now
857	set entrycmd(trace) 0
858
859	##########################################################
860	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
861	##########################################################
862	# phase title
863	set entrycmd(phasename) "phaseinfo $crsPhase name"
864	set entryvar(phasename) [phaseinfo $crsPhase name]
865	# cell parameters & flags
866	foreach ent {a b c alpha beta gamma cellref celldamp} {
867	set entrycmd($ent) "phaseinfo $crsPhase $ent"
868	set entryvar($ent) [phaseinfo $crsPhase $ent]
869	# reset item to black
870	catch {$entrybox($ent) config -fg black}
871	}
872
873	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
874	# initialize to diasbled
875	DisplayAtom 0 0
876	DisplayU 0 0
877	DisplayRefFlags 0 0
878	$expgui(EditingAtoms) config -text ""
879
880	DisplayAllAtoms
881
882	# enable traces on entryvar now
883	set entrycmd(trace) 1
884	}
885
886	set expgui(noreenterDisplayAllAtoms) 0
887	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
888	proc DisplayAllAtoms {"mode reset"} {
889	global entryvar entrycmd expmap expgui
890	# if it does not show, dont bother
891	if {$expgui(pagenow) != "phaseFrame"} return
892	if {$expgui(curPhase) == ""} return
893	if $expgui(noreenterDisplayAllAtoms) return
894
895	set expgui(noreenterDisplayAllAtoms) 1
896	if {$mode != "reset"} {
897	# save the scrolled position
898	set pos [lindex [$expgui(atomlistbox) yview] 0]
899	} else {
900	# this is a reset -- clear the selected atoms list
901	set expgui(selectedatomlist) {}
902	}
903	$expgui(atomlistbox) delete 0 end
904	# loop over atoms
905	set maxline I
906	set phase $expgui(curPhase)
907	set atomlist {}
908	set typehead "type "
909	set namehead " name "
910	set multhead "Mult"
911	set coordhead " "
912	set frachead "Occupancy"
913	if {$expgui(asorttype) == "type"} {
914	# sort on atom type
915	set typehead "type* "
916	foreach atom $expmap(atomlist_$phase) {
917	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
918	}
919	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
920	} elseif {$expgui(asorttype) == "number"} {
921	# sort on atom number
922	set namehead "* name "
923	foreach atom $expmap(atomlist_$phase) {
924	lappend atomlist "$atom $atom $phase"
925	}
926	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
927	} elseif {$expgui(asorttype) == "mult"} {
928	# sort on atom number
929	set multhead "Mlt*"
930	foreach atom $expmap(atomlist_$phase) {
931	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
932	}
933	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
934	} elseif {$expgui(asorttype) == "occupancy"} {
935	# sort on atom number
936	set frachead " Occup* "
937	foreach atom $expmap(atomlist_$phase) {
938	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
939	}
940	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
941	} elseif {$expgui(asorttype) == "x"} {
942	# sort on x
943	set coordhead "(x*)"
944	foreach atom $expmap(atomlist_$phase) {
945	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
946	}
947	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
948	} elseif {$expgui(asorttype) == "y"} {
949	# sort on y
950	set coordhead "(y*)"
951	foreach atom $expmap(atomlist_$phase) {
952	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
953	}
954	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
955	} elseif {$expgui(asorttype) == "z"} {
956	# sort on z
957	set coordhead "(z*)"
958	foreach atom $expmap(atomlist_$phase) {
959	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
960	}
961	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
962	} else {
963	error "Bad expgui(asorttype) = $expgui(asorttype)"
964	}
965
966	foreach tuple $expmap(atomlistboxcontents) {
967	set atom [lindex $tuple 0]
968	set phase [lindex $tuple 2]
969	set refflag {}
970	foreach type {x u f} {
971	if {[atominfo $phase $atom ${type}ref]} {
972	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
973	} else {
974	append refflag " [atominfo $phase $atom ${type}damp] "
975	}
976	}
977	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
978	$atom \
979	[atominfo $phase $atom label] \
980	[atominfo $phase $atom type] \
981	$refflag \
982	[atominfo $phase $atom x] \
983	[atominfo $phase $atom y] \
984	[atominfo $phase $atom z] \
985	[atominfo $phase $atom mult] \
986	[atominfo $phase $atom frac]
987	]
988
989	# add temperature factors (iso/anoiso)
990	if {[atominfo $phase $atom temptype] == "A"} {
991	set maxline A
992	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
993	[atominfo $phase $atom U11] \
994	[atominfo $phase $atom U22] \
995	[atominfo $phase $atom U33] \
996	[atominfo $phase $atom U12] \
997	[atominfo $phase $atom U23] \
998	[atominfo $phase $atom U13]
999	]
1000	} else {
1001	append line [format " %9.5f" \
1002	[atominfo $phase $atom Uiso]
1003	]
1004	}
1005	$expgui(atomlistbox) insert end $line
1006	}
1007	$expgui(atomtitle) delete 0 end
1008	if {$maxline == "A"} {
1009	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
1010	$namehead $typehead "ref/damp " \
1011	"fractional coordinates$coordhead" \
1012	"$multhead $frachead" \
1013	" Uiso/Uij "]
1014	} else {
1015	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
1016	$namehead $typehead "ref/damp " \
1017	"fractional coordinates$coordhead" \
1018	"$multhead $frachead" \
1019	" Uiso"]
1020	}
1021	if {$mode != "reset"} {
1022	# restore the selected items
1023	foreach i $expgui(selectedatomlist) {
1024	$expgui(atomlistbox) selection set $i
1025	}
1026	# restore the last scrolled position
1027	$expgui(atomlistbox) yview moveto $pos
1028	}
1029	set expgui(noreenterDisplayAllAtoms) 0
1030	}
1031
1032	# Procedure to select all atoms in response to a right-click
1033	proc SelectAllAtoms {} {
1034	global expgui
1035	$expgui(atomlistbox) selection set 0 end
1036	# call editRecord in case trace was called before the selection was made
1037	editRecord
1038	}
1039
1040	# Procedure to respond to left mouse release in the atoms Pane
1041	proc editRecord { args } {
1042	global entrycmd expgui
1043	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
1044	# disable traces on entryvar for right now
1045	set entrycmd(trace) 0
1046
1047	if {[llength $expgui(selectedatomlist)] == 0} {
1048	if $expgui(debug) {error "Attempt display non-existent atoms"}
1049	} elseif {[llength $expgui(selectedatomlist)] == 1} {
1050	editOneRecord $expgui(selectedatomlist)
1051	} else {
1052	editMultipleRecords $expgui(selectedatomlist)
1053	}
1054	# reenable traces on entryvar
1055	set entrycmd(trace) 1
1056	# repaint the atoms box in case anything was changed
1057	# DisplayAllAtoms noreset
1058	}
1059
1060	proc editOneRecord { AtomIndex } {
1061	global expmap expgui
1062	# get atom number & phase
1063	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1064	set atomnum [lindex $tuple 0]
1065	set p [lindex $tuple 2]
1066	DisplayU $atomnum $p
1067	DisplayAtom $atomnum $p
1068	DisplayRefFlags $atomnum $p
1069	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
1070	$expgui(atomxform) config -text "Xform Atom" -state normal
1071	}
1072
1073	# this will not work for a multi-phase list of atoms (yet)
1074	proc editMultipleRecords { AtomIndexList } {
1075	global expmap expgui
1076	set numberList {}
1077	# current phase
1078	set p $expgui(curPhase)
1079	foreach AtomIndex $AtomIndexList {
1080	# get atom number & phase
1081	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1082	lappend numberList [lindex $tuple 0]
1083	# set p [lindex $tuple 2]
1084	}
1085	# this needs to track by phase
1086	$expgui(EditingAtoms) config -text \
1087	"Set refinement options: atoms [CompressList $numberList]"
1088	DisplayU 0 0
1089	DisplayAtom 0 0
1090	# this needs to track by phase
1091	DisplayRefFlags $numberList $p
1092	$expgui(atomxform) config -text "Xform Atoms" -state normal
1093	}
1094
1095	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
1096	# becomes "1-4,6,7,13-15,19"
1097	proc CompressList {numberList} {
1098	# format the number list to save space
1099	set lastnum -99
1100	set flist {}
1101	set count 0
1102	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
1103	foreach num $sortlist {
1104	set next [expr $lastnum+1]
1105	if {$num != $next} {
1106	if {$count == 0 && $flist != ""} {
1107	append flist ",$num"
1108	} elseif {$count == 1 && $flist != ""} {
1109	append flist ",$lastnum,$num"
1110	} elseif {$flist != ""} {
1111	append flist "-$lastnum,$num"
1112	} else {
1113	append flist "$num"
1114	}
1115	set lastnum $num
1116	set count 0
1117	} else {
1118	incr count
1119	incr lastnum
1120	}
1121	}
1122	if {$count == 1 && $flist != ""} {
1123	append flist ",$lastnum"
1124	} elseif {$flist != "" && $count > 1} {
1125	append flist "-$lastnum"
1126	}
1127	return $flist
1128	}
1129
1130	# Procedure to display Isotropic or Anisotropic temperature factors
1131	# Changes the display to one entry widget for Isotropic motion OR
1132	# 6 entry widgets for Anisotropic motion in Frame3.
1133	# or disables the widet entirly if atom = 0
1134	proc DisplayU { atomnum p} {
1135	global expgui entryvar entrycmd
1136	if {$atomnum == 0} {
1137	set iOrA disable
1138	} else {
1139	set iOrA [atominfo $p $atomnum temptype]
1140	}
1141
1142	set firstbox [lindex $expgui(anisolabels) 0]
1143	if { $iOrA == "A" } {
1144	$firstbox config -text "U11 "
1145	foreach item $expgui(anisolabels) {
1146	$item config -fg black
1147	}
1148	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1149	set entrycmd($var) "atominfo $p $atomnum $var"
1150	set entryvar($var) [eval $entrycmd($var)]
1151	$item config -fg black -state normal -bg white
1152	}
1153	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1154	foreach item $expgui(anisolabels) {
1155	$item config -fg $expgui(bkgcolor1)
1156	}
1157	foreach item [lrange $expgui(anisoentry) 1 end] \
1158	var {U22 U33 U12 U13 U23} {
1159	set entrycmd($var) ""
1160	set entryvar($var) ""
1161	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1162	-state disabled
1163	}
1164	if { $iOrA == "disable"} {
1165	set entrycmd($var) ""
1166	set entryvar($var) ""
1167	[lindex $expgui(anisoentry) 0] config \
1168	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1169	-state disabled
1170	} else {
1171	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1172	set entryvar(U11) [eval $entrycmd(U11)]
1173	$firstbox config -text Uiso -fg black
1174	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1175	}
1176	}
1177	}
1178
1179	# need to think about multiple phases
1180
1181	# Procedure to display refinement flags
1182	proc DisplayRefFlags { atomnum p} {
1183	global expgui entryvar entrycmd
1184	if {$atomnum == 0} {
1185	foreach label $expgui(atomreflbl) {
1186	$label config -fg $expgui(bkgcolor1)
1187	}
1188	foreach entry $expgui(atomref) {
1189	$entry config -state disabled \
1190	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1191	# turn off checkbuttons
1192	catch {$entry deselect}
1193
1194	}
1195	return
1196	}
1197	foreach label $expgui(atomreflbl) {
1198	$label config -fg black
1199	}
1200	foreach entry $expgui(atomref) {
1201	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1202	}
1203	foreach var {xref uref fref xdamp udamp fdamp} {
1204	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1205	set entryvar($var) [eval $entrycmd($var)]
1206	}
1207	}
1208
1209	# Procedure to display an atom in the atom edit boxes
1210	proc DisplayAtom { atomnum p} {
1211	global expgui entryvar entrycmd
1212	if {$atomnum == 0} {
1213	foreach label $expgui(atomlabels) {
1214	$label config -fg $expgui(bkgcolor1)
1215	}
1216	foreach entry $expgui(atomentry) {
1217	$entry config -state disabled \
1218	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1219	}
1220	return
1221	}
1222	foreach label $expgui(atomlabels) {
1223	$label config -fg black
1224	}
1225	foreach entry $expgui(atomentry) {
1226	$entry config -state normal -fg black -bg white
1227	}
1228	foreach var {x y z label frac } {
1229	set entrycmd($var) "atominfo $p $atomnum $var"
1230	set entryvar($var) [eval $entrycmd($var)]
1231	}
1232	}
1233
1234	# make a histogram box; used in MakeHistPane,
1235	proc MakeHistBox {frm} {
1236	global expgui
1237	grid [label $frm.mode -text "Select a Histogram" \
1238	-bg beige -anchor center] \
1239	-row 0 -column 0 -columnspan 2 -sticky ew
1240	bind $frm.mode <Button-1> {
1241	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1242	set expgui(globalmode) [lindex \
1243	"$expgui(AllowedHistSelectModes) \
1244	$expgui(AllowedHistSelectModes)" [incr i]]
1245	sethistlist
1246	}
1247	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1248	grid [listbox $frm.title -height 1 -relief flat \
1249	-exportselection 0 ] -row 1 -column 0 -sticky ew
1250	grid [listbox $frm.lbox -height 10 -width 25 \
1251	-exportselection 0 \
1252	-xscrollcommand "$frm.x set" \
1253	-yscrollcommand "$frm.y set" \
1254	] -row 2 -column 0 -sticky news
1255	lappend expgui(HistSelectList) $frm
1256	grid [scrollbar $frm.x -orient horizontal \
1257	-command "move2boxes \" $frm.title $frm.lbox \" "
1258	] -row 3 -column 0 -sticky ew
1259	grid [scrollbar $frm.y \
1260	-command "$frm.lbox yview"] \
1261	-row 2 -column 1 -sticky ns
1262	grid columnconfigure $frm 0 -weight 1
1263	grid rowconfigure $frm 2 -weight 1
1264	}
1265
1266	# update the histogram list
1267	# to do: show histogram ref flags?
1268	proc sethistlist {} {
1269	global expgui expmap
1270	array set lbl {
1271	1 "Select 1 or more\nTOF Histograms"
1272	2 "Select 1 or more\nCW Neutron Histograms"
1273	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1274	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1275	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1276	6 "Select 1 or more of\n any type Histograms"
1277	}
1278	foreach lbox $expgui(HistSelectList) {
1279	$lbox.title delete 0 end
1280	$lbox.lbox delete 0 end
1281	if {$expgui(globalmode) != 0} {
1282	$lbox.lbox config -selectmode extended
1283	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1284	} else {
1285	$lbox.lbox config -selectmode browse
1286	$lbox.mode config -text "Select a histogram" -bg beige
1287	}
1288	}
1289	# disable the unallowed pages in all mode
1290	if {$expgui(globalmode) == 6} {
1291	foreach pair $expgui(GlobalModeAllDisable) {
1292	if {$expgui(pagenow) == [lindex $pair 0]} {
1293	RaisePage lsFrame
1294	}
1295	eval [lindex $pair 1] -state disabled
1296	}
1297	} else {
1298	foreach pair $expgui(GlobalModeAllDisable) {
1299	eval [lindex $pair 1] -state normal
1300	}
1301	}
1302	set histlist {}
1303	if {$expgui(hsorttype) == "type"} {
1304	# sort on histogram type
1305	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1306	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1307	}
1308	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1309	} elseif {$expgui(hsorttype) == "number"} {
1310	# sort on histogram number
1311	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1312	lappend histlist "$h $h"
1313	}
1314	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1315	} elseif {$expgui(hsorttype) == "bank"} {
1316	# sort on original bank number
1317	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1318	lappend histlist "$h [histinfo $h bank]"
1319	}
1320	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1321	} elseif {$expgui(hsorttype) == "angle"} {
1322	# sort on wavelength (CW) or angle (E disp.)
1323	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1324	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1325	set det [format %8.2f [histinfo $h tofangle]]
1326	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1327	set det [format %8.5f [histinfo $h lam1]]
1328	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1329	set det [format %8.2f [histinfo $h lam1]]
1330	} else {
1331	set det {}
1332	}
1333	lappend histlist "$h $det"
1334	}
1335	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1336	}
1337
1338	# title field needs to match longest title
1339	foreach lbox $expgui(HistSelectList) {
1340	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1341	"h#" \
1342	type \
1343	bank \
1344	"ang/wave" \
1345	" title" \
1346	]
1347	}
1348	foreach tuple $expmap(histlistboxcontents) {
1349	set h [lindex $tuple 0]
1350
1351	if {$expgui(globalmode) == 1} {
1352	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1353	} elseif {$expgui(globalmode) == 2} {
1354	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1355	} elseif {$expgui(globalmode) == 3} {
1356	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1357	[histinfo $h lam2] == 0.0} continue
1358	} elseif {$expgui(globalmode) == 4} {
1359	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1360	[histinfo $h lam2] != 0.0} continue
1361	} elseif {$expgui(globalmode) == 5} {
1362	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1363	}
1364
1365	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1366	set det [format %8.2f [histinfo $h tofangle]]
1367	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1368	set det [format %8.5f [histinfo $h lam1]]
1369	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1370	set det [format %8.2f [histinfo $h lam1]]
1371	} else {
1372	set det {}
1373	}
1374	foreach lbox $expgui(HistSelectList) {
1375	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1376	$h \
1377	[string range $expmap(htype_$h) 1 2] \
1378	[histinfo $h bank] \
1379	$det \
1380	[string range [histinfo $h title] 0 66] \
1381	]
1382	}
1383	}
1384	UpdateCurrentPage
1385	}
1386
1387	proc UpdateCurrentPage {} {
1388	global expgui
1389	foreach set $expgui(frameactionlist) {
1390	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1391	}
1392	}
1393
1394	#-----------------------------------------------------------------------
1395	# ----------- draw Histogram page
1396	#-----------------------------------------------------------------------
1397	proc DisplayHistogram {} {
1398	global expgui entrycmd entryvar entrybox expmap
1399
1400	# trap if more than one histogram is selected unless global mode
1401	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1402	set expgui(curhist) [lindex $expgui(curhist) 0]
1403	}
1404
1405	# disable the add histogram button if no phases are present
1406	catch {
1407	if {[llength $expmap(phaselist)] == 0} {
1408	$expgui(histFrame).newh configure -state disabled
1409	} else {
1410	$expgui(histFrame).newh configure -state normal
1411	}
1412	}
1413
1414	# display the selected histograms
1415	$expgui(histFrame).hs.lbox selection clear 0 end
1416	foreach h $expgui(curhist) {
1417	$expgui(histFrame).hs.lbox selection set $h
1418	}
1419
1420	# disable traces on entryvar for right now
1421	set entrycmd(trace) 0
1422
1423	# get histogram list
1424	set histlist {}
1425	foreach item $expgui(curhist) {
1426	lappend histlist [lindex $expmap(powderlist) $item]
1427	}
1428	# must have at least one histogram selected here
1429	if {[llength $histlist] == 0} {
1430	set expgui(backtermlbl) ""
1431	set expgui(backtypelbl) ""
1432	foreach var {bref bdamp} {
1433	set entrycmd($var) ""
1434	set entryvar($var) ""
1435	}
1436	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1437	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1438	set expgui(bkglbl) ""
1439	eval destroy [winfo children $expgui(diffBox)]
1440	set entrycmd(trace) 1
1441	return
1442	}
1443
1444	if {$expgui(globalmode) != 0} {
1445	set expgui(backtermlbl) ""
1446	set expgui(backtypelbl) ""
1447	foreach var {bref bdamp} {
1448	set entrycmd($var) "histinfo [list $histlist] $var"
1449	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1450	}
1451	} else {
1452	set hist $histlist
1453	set terms [histinfo $hist backterms]
1454	set expgui(backtermlbl) "($terms terms)"
1455	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1456	foreach var {bref bdamp} {
1457	set entrycmd($var) "histinfo $hist $var"
1458	set entryvar($var) [eval $entrycmd($var)]
1459	}
1460	}
1461	# Top box
1462	if $expgui(haveBW) {
1463	catch {destroy $expgui(histFrame).pflag}
1464	}
1465	if {$expgui(globalmode) != 0} {
1466	$expgui(histFrame).top.txt config \
1467	-text "Selected Histograms: [CompressList $histlist]"
1468	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1469	set expgui(bkglbl) "Globally Edit Background"
1470	} else {
1471	grid forget $expgui(histFrame).top
1472	set expgui(bkglbl) "Edit Background"
1473	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1474	TitleFrame $expgui(histFrame).pflag \
1475	-borderwidth 4 -side left -relief groove \
1476	-text "Phase Flags"
1477	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1478	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1479	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1480	foreach p $expmap(phaselist) {
1481	pack [checkbutton $expgui(pflag).$p \
1482	-command "GetPhaseFlags $hist" \
1483	-variable expgui(pflag$p) -text $p] -side left
1484	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1485	set expgui(pflag$p) 0
1486	} else {
1487	set expgui(pflag$p) 1
1488	}
1489	}
1490	}
1491	}
1492
1493	# diffractometer constants
1494	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1495	wref pref dcref daref ratref ttref zref } {
1496	set entrycmd($var) "histinfo [list $histlist] $var"
1497	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1498	}
1499
1500	eval destroy [winfo children $expgui(diffBox)]
1501	if {$expgui(globalmode) == 0} {
1502	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1503	#------
1504	# TOF \|
1505	#------
1506	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1507	-column 1 -row 1
1508	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1509	-column 2 -row 1
1510	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1511	-column 3 -row 1 -sticky w
1512	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1513	-width 15 ] -column 4 -row 1
1514	set entrybox(lam1) $expgui(diffBox).eDCdifc
1515	#
1516	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1517	-column 1 -row 2
1518	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1519	-column 2 -row 2
1520	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1521	-column 3 -row 2
1522	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1523	-width 15 ] -column 4 -row 2
1524	set entrybox(lam2) $expgui(diffBox).eDCdifa
1525	#
1526	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1527	-column 3 -row 3
1528	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1529	-width 15 ] -column 4 -row 3
1530	set entrybox(zero) $expgui(diffBox).eDCzero
1531	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1532	-column 1 -row 3 -sticky w
1533	grid [ checkbutton $expgui(diffBox).rfDCzref \
1534	-variable entryvar(zref) ] -column 2 -row 3
1535	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1536	#---------------
1537	# CW - neutron \|
1538	#---------------
1539	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1540	-column 1 -row 1
1541	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1542	-column 2 -row 1
1543	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1544	-column 3 -row 1 -sticky w
1545	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1546	-width 15 ] -column 4 -row 1
1547	set entrybox(lam1) $expgui(diffBox).eDCdifc
1548	#
1549	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1550	-column 1 -row 3 -sticky w
1551	grid [ checkbutton $expgui(diffBox).rfDCzref \
1552	-variable entryvar(zref) ] -column 2 -row 3
1553	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1554	-column 3 -row 3
1555	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1556	-width 15 ] -column 4 -row 3
1557	set entrybox(zero) $expgui(diffBox).eDCzero
1558	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1559	[histinfo $hist lam2] == 0.0} {
1560	#--------------------------
1561	# CW - x-ray 1 wavelength \|
1562	#--------------------------
1563	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1564	-column 1 -row 1
1565	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1566	-column 2 -row 1
1567	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1568	-column 3 -row 1 -sticky w
1569	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1570	-width 15 ] -column 4 -row 1
1571	set entrybox(lam1) $expgui(diffBox).eDCdifc
1572	#
1573	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1574	-column 1 -row 3 -sticky w
1575	grid [ checkbutton $expgui(diffBox).rfDCzref \
1576	-variable entryvar(zref) ] -column 2 -row 3
1577	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1578	-column 3 -row 3
1579	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1580	-width 15 ] -column 4 -row 3
1581	set entrybox(zero) $expgui(diffBox).eDCzero
1582	#
1583	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1584	-column 1 -row 4 -sticky w
1585	grid [ checkbutton $expgui(diffBox).rfDCpref \
1586	-variable entryvar(pref) ] -column 2 -row 4
1587	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1588	-column 3 -row 4
1589	grid [ entry $expgui(diffBox).eDCpola \
1590	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1591	set entrybox(pola) $expgui(diffBox).eDCpola
1592	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1593	-column 5 -row 4
1594	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1595	-textvariable entryvar(ipola)] -column 6 -row 4
1596	set entrybox(ipola) $expgui(diffBox).eDCipola
1597	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1598	#---------------------------
1599	# CW - x-ray 2 wavelengths \|
1600	#---------------------------
1601	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1602	-column 3 -row 1 -sticky w
1603	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1604	-width 15 ] -column 4 -row 1
1605	set entrybox(lam1) $expgui(diffBox).eDCdifc
1606	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1607	-width 15 ] -column 5 -row 1
1608	set entrybox(lam2) $expgui(diffBox).eDCdifa
1609	#
1610	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1611	-column 1 -row 2 -sticky w
1612	grid [ checkbutton $expgui(diffBox).rfDCrref \
1613	-variable entryvar(ratref) ] -column 2 -row 2
1614	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1615	-column 3 -row 2
1616	grid [ entry $expgui(diffBox).eDCkratio \
1617	-textvariable entryvar(kratio) \
1618	-width 15 ] -column 4 -row 2
1619	set entrybox(kratio) $expgui(diffBox).eDCkratio
1620	#
1621	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1622	-column 3 -row 3
1623	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1624	-width 15 ] -column 4 -row 3
1625	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1626	-column 1 -row 3 -sticky w
1627	set entrybox(zero) $expgui(diffBox).eDCzero
1628	grid [ checkbutton $expgui(diffBox).rfDCzref \
1629	-variable entryvar(zref) ] -column 2 -row 3
1630	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1631	-column 1 -row 4 -sticky w
1632	grid [ checkbutton $expgui(diffBox).rfDCpref \
1633	-variable entryvar(pref) ] -column 2 -row 4
1634	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1635	-column 3 -row 4
1636	grid [ entry $expgui(diffBox).eDCpola \
1637	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1638	set entrybox(pola) $expgui(diffBox).eDCpola
1639	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1640	-column 5 -row 4
1641	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1642	-textvariable entryvar(ipola)] -column 6 -row 4
1643	set entrybox(ipola) $expgui(diffBox).eDCipola
1644	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1645	#-------------
1646	# ED - x-ray \|
1647	#-------------
1648	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1649	-column 1 -row 1
1650	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1651	-column 2 -row 1
1652	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1653	-column 3 -row 1 -sticky w
1654	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1655	-width 15 ] -column 4 -row 1
1656	set entrybox(lam1) $expgui(diffBox).eDCdifc
1657	#
1658	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1659	-column 1 -row 4 -sticky w
1660	grid [ checkbutton $expgui(diffBox).rfDCpref \
1661	-variable entryvar(pref) ] -column 2 -row 4
1662	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1663	-column 3 -row 4
1664	grid [ entry $expgui(diffBox).eDCpola \
1665	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1666	set entrybox(pola) $expgui(diffBox).eDCpola
1667	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1668	-column 5 -row 4
1669	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1670	-textvariable entryvar(ipola)] -column 6 -row 4
1671	set entrybox(ipola) $expgui(diffBox).eDCipola
1672	}
1673	} elseif {$expgui(globalmode) == 1} {
1674	#-------------
1675	# Global TOF \|
1676	#-------------
1677	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1678	-column 1 -row 1
1679	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1680	-column 2 -row 1
1681	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1682	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1683	#
1684	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1685	-column 1 -row 2
1686	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1687	-column 2 -row 2
1688	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1689	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1690	#
1691	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1692	-column 1 -row 3 -sticky w
1693	grid [ checkbutton $expgui(diffBox).rfDCzref \
1694	-variable entryvar(zref) ] -column 2 -row 3
1695	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1696	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1697	} elseif {$expgui(globalmode) == 2} {
1698	#--------------------
1699	# Global CW neutron \|
1700	#--------------------
1701	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1702	-column 1 -row 1
1703	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1704	-column 2 -row 1
1705	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1706	-command "editglobalparm histinfo lam1 Wavelength"] \
1707	-column 3 -row 1
1708	#
1709	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1710	-column 1 -row 3 -sticky w
1711	grid [ checkbutton $expgui(diffBox).rfDCzref \
1712	-variable entryvar(zref) ] -column 2 -row 3
1713	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1714	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1715	} elseif {$expgui(globalmode) == 4} {
1716	#----------------------
1717	# Global CW mono xray \|
1718	#----------------------
1719	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1720	-column 1 -row 1
1721	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1722	-column 2 -row 1
1723	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1724	-command "editglobalparm histinfo lam1 Wavelength"] \
1725	-column 3 -row 1
1726	#
1727	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1728	-column 1 -row 3 -sticky w
1729	grid [ checkbutton $expgui(diffBox).rfDCzref \
1730	-variable entryvar(zref) ] -column 2 -row 3
1731	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1732	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1733	#
1734	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1735	-column 1 -row 4 -sticky w
1736	grid [ checkbutton $expgui(diffBox).rfDCpref \
1737	-variable entryvar(pref) ] -column 2 -row 4
1738	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1739	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1740	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1741	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1742	} elseif {$expgui(globalmode) == 3} {
1743	#------------------------
1744	# Global alpha 1,2 xray \|
1745	#------------------------
1746	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1747	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1748	-column 3 -row 1
1749	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1750	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1751	-column 4 -row 1
1752	#
1753	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1754	-column 1 -row 3 -sticky w
1755	grid [ checkbutton $expgui(diffBox).rfDCratref \
1756	-variable entryvar(ratref) ] -column 2 -row 3
1757	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1758	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1759	-column 3 -row 3
1760	#
1761	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1762	-column 1 -row 3 -sticky w
1763	grid [ checkbutton $expgui(diffBox).rfDCzref \
1764	-variable entryvar(zref) ] -column 2 -row 3
1765	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1766	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1767	#
1768	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1769	-column 1 -row 4 -sticky w
1770	grid [ checkbutton $expgui(diffBox).rfDCpref \
1771	-variable entryvar(pref) ] -column 2 -row 4
1772	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1773	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1774	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1775	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1776	} elseif {$expgui(globalmode) == 5} {
1777	#-----------------
1778	# Global ED xray \|
1779	#-----------------
1780	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1781	-column 1 -row 1
1782	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1783	-column 2 -row 1
1784	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1785	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1786	-column 3 -row 1
1787	#
1788	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1789	-column 1 -row 4 -sticky w
1790	grid [ checkbutton $expgui(diffBox).rfDCpref \
1791	-variable entryvar(pref) ] -column 2 -row 4
1792	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1793	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1794	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1795	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1796	}
1797	if {$expgui(globalmode) == 0} {
1798	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1799	-columnspan 2 -sticky e
1800	} else {
1801	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1802	-columnspan 2 -sticky e
1803	}
1804	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1805	-column 1 -row 1
1806	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1807	grid $expgui(diffBox).d.om -column 2 -row 1
1808	grid columnconfigure $expgui(diffBox) 9 -weight 1
1809	grid columnconfigure $expgui(diffBox) 0 -weight 1
1810	update idletasks
1811	# enable traces on entryvar now
1812	set entrycmd(trace) 1
1813	}
1814
1815	# this gets the phase flags as set in the expgui(pflag*) elements
1816	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1817	# accordingly using SetPhaseFlag
1818	proc GetPhaseFlags {hist} {
1819	global expmap expgui
1820	set plist {}
1821	foreach p $expmap(phaselist) {
1822	if {$expgui(pflag$p)} {lappend plist $p}
1823	}
1824	SetPhaseFlag $hist $plist
1825	incr expgui(changed)
1826	mapexp
1827	}
1828
1829	#-----------------------------------------------------------------------
1830	# populate the Scaling page
1831	#-----------------------------------------------------------------------
1832	proc DisplayFrac {} {
1833	global expgui entrycmd entryvar entrybox expmap
1834
1835	# trap if more than one histogram is selected unless global mode
1836	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1837	set expgui(curhist) [lindex $expgui(curhist) 0]
1838	}
1839
1840	# display the selected histograms
1841	$expgui(fracFrame).hs.lbox selection clear 0 end
1842	foreach h $expgui(curhist) {
1843	$expgui(fracFrame).hs.lbox selection set $h
1844	}
1845
1846	# disable traces on entryvar
1847	set entrycmd(trace) 0
1848
1849	# get histogram list
1850	set histlist {}
1851	foreach item $expgui(curhist) {
1852	lappend histlist [lindex $expmap(powderlist) $item]
1853	}
1854
1855	# must have at least one histogram selected here
1856	if {[llength $histlist] == 0} {
1857	foreach var {scale sref sdamp} {
1858	set entrycmd($var) ""
1859	set entryvar($var) ""
1860	}
1861	set parm [grid info $expgui(scaleBox).but1]
1862	if {$parm != ""} {
1863	grid forget $expgui(scaleBox).but1
1864	eval grid $expgui(scaleBox).ent1 $parm
1865	}
1866	# destroy the contents of the frame
1867	set phaseFractf1 $expgui(FracBox).f
1868	eval destroy [winfo children $phaseFractf1]
1869	# reenable traces on entryvar
1870	set entrycmd(trace) 1
1871	return
1872	}
1873
1874	#--------------
1875	# Scale factor
1876	#--------------
1877	if {$expgui(globalmode) != 0} {
1878	foreach var {scale sref sdamp} {
1879	set entrycmd($var) "histinfo [list $histlist] $var"
1880	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1881	}
1882	# reset scale to black
1883	catch {$entrybox(scale) config -fg black}
1884	set parm [grid info $expgui(scaleBox).ent1]
1885	if {$parm != ""} {
1886	grid forget $expgui(scaleBox).ent1
1887	eval grid $expgui(scaleBox).but1 $parm
1888	}
1889	} else {
1890	set hist $histlist
1891	foreach var {scale sref sdamp} {
1892	set entrycmd($var) "histinfo $hist $var"
1893	set entryvar($var) [eval $entrycmd($var)]
1894	}
1895	# reset scale to black
1896	catch {$entrybox(scale) config -fg black}
1897	set parm [grid info $expgui(scaleBox).but1]
1898	if {$parm != ""} {
1899	grid forget $expgui(scaleBox).but1
1900	eval grid $expgui(scaleBox).ent1 $parm
1901	}
1902	}
1903
1904	#----------------
1905	# Phase Fractions
1906	#----------------
1907	set phaseFractf1 $expgui(FracBox).f
1908	# destroy the contents of the frame
1909	eval destroy [winfo children $phaseFractf1]
1910	if {$expgui(globalmode) != 0} {
1911	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1912	} else {
1913	set txt "Phase Fractions"
1914	}
1915	if $expgui(haveBW) {
1916	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1917	} else {
1918	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1919	-column 0 -row 0 -sticky news
1920	}
1921	# Create the frame inside the canvas, One frame for each Phase.
1922	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1923	foreach hist $histlist {
1924	foreach i $expmap(phaselist_$hist) {
1925	lappend phasehistlist($i) $hist
1926	}
1927	}
1928	foreach i {1 2 3 4 5 6 7 8 9} {
1929	if {[llength $phasehistlist($i)] == 0} continue
1930	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1931	grid $framePF -column 0 -row $i -sticky ew
1932	# Label Heading for each phase.
1933	if {$expgui(globalmode) != 0} {
1934	grid [label $framePF.l1 \
1935	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1936	-column 0 -row 0 -sticky nws
1937	grid [button $framePF.but1 -text "Set Globally" \
1938	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1939	[list $phasehistlist($i)] $i" \
1940	] -column 1 -row 0
1941	} else {
1942	grid [label $framePF.l1 -text "Phase $i"] \
1943	-column 0 -row 0 -sticky nws
1944	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1945	-column 1 -row 0
1946	set entrybox(frac$i) $framePF.ent
1947	}
1948	set entrycmd(frac$i) "hapinfo $hist $i frac"
1949	set entryvar(frac$i) [hapinfo $hist $i frac]
1950	grid [label $framePF.l2 -text " Refine"] \
1951	-column 2 -row 0 -sticky nws
1952	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1953	-column 3 -row 0 -sticky nws
1954	set entrycmd(frref$i) "hapinfo $hist $i frref"
1955	set entryvar(frref$i) [hapinfo $hist $i frref]
1956	grid [label $framePF.l3 -text " Damping"] \
1957	-column 4 -row 0 -sticky nws
1958	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1959	0 1 2 3 4 5 6 7 8 9
1960	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1961	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1962	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1963	}
1964	# resize the scroll window to match the actual
1965	update idletasks
1966	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1967	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1968	update idletasks
1969	# enable traces on entryvar now
1970	set entrycmd(trace) 1
1971	}
1972
1973	#-----------------------------------------------------------------------
1974	# display the profile page
1975	#-----------------------------------------------------------------------
1976	proc DisplayProfile {} {
1977	global expgui entrycmd entryvar entrybox expmap
1978
1979	# trap if more than one histogram is selected unless global mode
1980	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1981	set expgui(curhist) [lindex $expgui(curhist) 0]
1982	}
1983	# display the selected histograms
1984	$expgui(profFrame).hs.lbox selection clear 0 end
1985	foreach h $expgui(curhist) {
1986	$expgui(profFrame).hs.lbox selection set $h
1987	}
1988
1989	# destroy the contents of the frame
1990	eval destroy [winfo children $expgui(ProfileBox).f]
1991	# since the next steps can take a while, do a screen update
1992	update idletasks
1993
1994	if {$expgui(globalmode) == 0} {
1995	# must have at least one histogram selected here
1996	if {[llength $expgui(curhist)] == 0} return
1997	# disable traces on entryvar for right now
1998	set entrycmd(trace) 0
1999	set hist [lindex $expmap(powderlist) $expgui(curhist)]
2000	# no defined histograms?
2001	if {$hist == ""} return
2002	# Create one frame for each Phase.
2003	set ind -1
2004	set htype [string range $expmap(htype_$hist) 2 2]
2005	foreach i $expmap(phaselist_$hist) {
2006	incr ind
2007	# Label Heading for each phase.
2008	set ptype [string trim [hapinfo $hist $i proftype]]
2009	if {$expgui(haveBW)} {
2010	grid [TitleFrame $expgui(ProfileBox).f.$i \
2011	-text "Hist $hist -- Phase $i (type $ptype)" \
2012	-relief groove -bd 2] \
2013	-column 0 -row $ind -sticky ew
2014	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2015	grid [frame $ProfileFrame.1] \
2016	-column 0 -row 0 -columnspan 10
2017	pack [label $ProfileFrame.1.l \
2018	-text Damping]\
2019	-side left
2020	} else {
2021	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
2022	-column 0 -row $ind -sticky ew
2023	set ProfileFrame $expgui(ProfileBox).f.$i
2024	grid [frame $ProfileFrame.1] \
2025	-column 0 -row 0 -columnspan 10 -sticky ew
2026	pack [label $ProfileFrame.1.l \
2027	-text "Phase $i (type $ptype) Damping"]\
2028	-side left
2029	}
2030	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
2031	0 1 2 3 4 5 6 7 8 9
2032	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
2033	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
2034	pack $ProfileFrame.1.tkOptDamp -side left
2035	pack [label $ProfileFrame.1.l1 \
2036	-text " Peak cutoff"]\
2037	-side left
2038	pack [entry $ProfileFrame.1.e1 \
2039	-width 10 -textvariable entryvar(pcut_$i)]\
2040	-side left
2041	set entrybox(pcut_$i) $ProfileFrame.1.e1
2042	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
2043	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
2044
2045	pack [button $ProfileFrame.1.b1 \
2046	-text "Change Type" \
2047	-command "ChangeProfileType $hist $i"]\
2048	-side left
2049
2050	set col -1
2051	set row 1
2052	set nterms [hapinfo $hist $i profterms]
2053	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
2054	for { set num 1 } { $num <= $nterms } { incr num } {
2055	set term {}
2056	catch {set term [lindex $lbls $num]}
2057	if {$term == ""} {set term $num}
2058	incr col
2059	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
2060	-row $row -column $col
2061	incr col
2062	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2063	-variable entryvar(pref${num}_$i)] -row $row -column $col
2064	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
2065	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
2066	incr col
2067	grid [entry $ProfileFrame.ent${num}_${i} \
2068	-textvariable entryvar(pterm${num}_$i)\
2069	-width 12] -row $row -column $col
2070	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
2071	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
2072	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
2073	if {$col > 6} {set col -1; incr row}
2074	}
2075	}
2076	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2077	} else {
2078	# get histogram list
2079	set histlist {}
2080	foreach item $expgui(curhist) {
2081	lappend histlist [lindex $expmap(powderlist) $item]
2082	}
2083	# must have at least one histogram selected here
2084	if {[llength $histlist] == 0} return
2085	# disable traces on entryvar for right now
2086	set entrycmd(trace) 0
2087	# loop through histograms & phases, set up an array by phase & profile type
2088	catch {unset prtyparray histarray phasearray}
2089	foreach hist $histlist {
2090	foreach phase $expmap(phaselist_$hist) {
2091	set prtyp [string trim [hapinfo $hist $phase proftype]]
2092	set key ${prtyp}_$phase
2093	lappend prtyparray($key) $hist
2094	lappend histarray($key) $hist
2095	lappend phasearray($key) $phase
2096	}
2097	}
2098
2099	set ptype ""
2100	set i -1
2101	# loop over all combined phases and profile types, sorted 1st by profile number
2102	foreach key [lsort [array names prtyparray]] {
2103	# split key
2104	scan $key %d_%d prftyp p
2105
2106	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
2107	set ptype $prftyp
2108	set curhistlist $histarray($key)
2109	set curphaslist $phasearray($key)
2110
2111	set hist1 [lindex $curhistlist 0]
2112	set phase1 [lindex $curphaslist 0]
2113	set nterms [hapinfo $hist1 $phase1 profterms]
2114	set htype [string range $expmap(htype_$hist1) 2 2]
2115	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
2116	# Create a frame for this type
2117	incr i
2118	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
2119	if {$expgui(haveBW)} {
2120	grid [TitleFrame $expgui(ProfileBox).f.$i \
2121	-text "(type $ptype)" \
2122	-relief groove -bd 2] \
2123	-column 0 -row $i -sticky ew
2124	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2125	grid [frame $ProfileFrame.0] \
2126	-column 0 -row 0 -columnspan 20 -sticky ew
2127	} else {
2128	grid [frame $expgui(ProfileBox).f.$i \
2129	-relief groove -bd 4] \
2130	-column 0 -row $i -sticky ew
2131	set ProfileFrame $expgui(ProfileBox).f.$i
2132	grid [frame $ProfileFrame.0] \
2133	-column 0 -row 0 -columnspan 20 -sticky ew
2134	grid [label $ProfileFrame.0.0 \
2135	-text "Profile Type $ptype "] -row 0 -column 0
2136	}
2137	grid [label $ProfileFrame.0.1 \
2138	-anchor w] -row 0 -column 1
2139	grid [frame $ProfileFrame.1] \
2140	-column 0 -row 1 -columnspan 20 -sticky ew
2141	grid [label $ProfileFrame.1.2 \
2142	-text "Damping"] -row 0 -column 2
2143	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2144	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2145	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2146	grid [button $ProfileFrame.1.edit \
2147	-text "Global Edit"] -row 0 -column 4 -sticky w
2148	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2149	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2150	-row 0 -column 5 -sticky w
2151	set col -1
2152	set row 2
2153	for { set num 1 } { $num <= $nterms } { incr num } {
2154	set term {}
2155	catch {set term [lindex $lbls $num]}
2156	if {$term == ""} {set term $num}
2157	incr col
2158	grid [label $ProfileFrame.l${num}_${i} \
2159	-text "$term"] -row $row -column $col
2160	incr col
2161	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2162	-variable entryvar(pref${num}_$i)] \
2163	-row $row -column $col
2164	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2165	if {$col > 10} {set col -1; incr row}
2166	}
2167	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2168	} else {
2169	# add to the current entry
2170	eval lappend curhistlist $histarray($key)
2171	eval lappend curphaslist $phasearray($key)
2172	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2173	}
2174	$ProfileFrame.0.1 config -text $boxtitle
2175	$ProfileFrame.1.edit config -command "\
2176	EditProfile \"\n$boxtitle\" \
2177	[list $curhistlist] \
2178	[list $curphaslist]"
2179	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2180	[list $curhistlist] [list $curphaslist]"
2181	set entrycmd(pdamp_$i) "hapinfo \
2182	[list $curhistlist] \
2183	[list $curphaslist] pdamp"
2184	for { set num 1 } { $num <= $nterms } { incr num } {
2185	set entrycmd(pref${num}_$i) "hapinfo \
2186	[list $curhistlist] \
2187	[list $curphaslist] pref$num"
2188	}
2189	}
2190	}
2191
2192	# resize the scroll window to match the actual
2193	update idletasks
2194	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2195	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2196	update idletasks
2197	ResizeNotebook
2198	# enable traces on entryvar now
2199	set entrycmd(trace) 1
2200	}
2201
2202	# process the bit settings in the print options
2203	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2204	proc printsetting {bitnum "action get" "value {}"} {
2205	global entryvar expgui
2206	if {$action == "get"} {
2207	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2208	} elseif $value {
2209	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2210	} else {
2211	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2212	}
2213	expinfo print set $newval
2214	set expgui(printopt) "Print Options ([expinfo print])"
2215	}
2216
2217	# need to respond to mouse presses -- control variable associated with extract Fobs
2218	# and set the LeBail extraction flags
2219	proc SetupExtractHist {} {
2220	global expgui entrycmd entryvar expmap
2221
2222	# display the selected histograms
2223	$expgui(lsFrame).hs.lbox selection clear 0 end
2224	foreach h $expgui(curhist) {
2225	$expgui(lsFrame).hs.lbox selection set $h
2226	}
2227
2228	# get histogram list
2229	set histlist {}
2230	foreach item $expgui(curhist) {
2231	set hist [lindex $expmap(powderlist) $item]
2232	if {$hist != ""} {lappend histlist $hist}
2233	}
2234	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2235	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2236	set entrycmd(LBdamp) ""
2237	foreach phase {1 2 3 4 5 6 7 8 9} {
2238	$expgui(FobsExtractFrame).l$phase config -fg grey
2239	set expgui(Fextract$phase) {}
2240	foreach item $expgui(ExtractSettingsRadiobuttons) {
2241	${item}$phase config -state disabled -bd 1
2242	}
2243	}
2244	} elseif {[llength $histlist] == 1} {
2245	# disable traces on entryvar
2246	set entrycmd(trace) 0
2247	set entryvar(fobsextract) [histinfo $histlist foextract]
2248	set entrycmd(LBdamp) "histinfo $histlist LBdamp"
2249	set entryvar(LBdamp) [histinfo $histlist LBdamp]
2250	foreach phase {1 2 3 4 5 6 7 8 9} {
2251	# is the phase present?
2252	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2253	$expgui(FobsExtractFrame).l$phase config -fg grey
2254	set expgui(Fextract$phase) {}
2255	foreach item $expgui(ExtractSettingsRadiobuttons) {
2256	${item}$phase config -state disabled -bd 1
2257	}
2258	} else {
2259	$expgui(FobsExtractFrame).l$phase config -fg black
2260	foreach item $expgui(ExtractSettingsRadiobuttons) {
2261	${item}$phase config -state normal -bd 2
2262	}
2263	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2264	}
2265	}
2266	} elseif {[llength $histlist] > 1} {
2267	# disable traces on entryvar
2268	set entrycmd(LBdamp) "histinfo [list $histlist] LBdamp"
2269	set entryvar(LBdamp) [histinfo [lindex $histlist 0] LBdamp]
2270	set entrycmd(trace) 0
2271	# multiple histograms need phases in any histogram
2272	foreach phase {1 2 3 4 5 6 7 8 9} {
2273	set gotphase($phase) 0
2274	}
2275	foreach hist $histlist {
2276	foreach phase $expmap(phaselist_$hist) {
2277	set gotphase($phase) 1
2278	}
2279	}
2280	foreach phase {1 2 3 4 5 6 7 8 9} {
2281	set expgui(Fextract$phase) {}
2282	if $gotphase($phase) {
2283	$expgui(FobsExtractFrame).l$phase config -fg black
2284	foreach item $expgui(ExtractSettingsRadiobuttons) {
2285	${item}$phase config -state normal -bd 2
2286	}
2287	} else {
2288	$expgui(FobsExtractFrame).l$phase config -fg grey
2289	foreach item $expgui(ExtractSettingsRadiobuttons) {
2290	${item}$phase config -state disabled -bd 1
2291	}
2292	}
2293	}
2294	}
2295	# reenable traces
2296	set entrycmd(trace) 1
2297	}
2298	# respond to a change in the fobs extraction method for a phase
2299	# force the main extraction flag on, if fobs extraction is selected for any phase
2300	proc HistExtractSet {phase} {
2301	global expgui entryvar expmap
2302	foreach item $expgui(curhist) {
2303	lappend histlist [lindex $expmap(powderlist) $item]
2304	}
2305	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2306	incr expgui(changed)
2307	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2308	}
2309	#---------------------------- Global Edit Functions ------------------------
2310	proc editbackground {} {
2311	global expgui expmap entrycmd
2312	set histlist {}
2313	foreach n $expgui(curhist) {
2314	lappend histlist [lindex $expmap(powderlist) $n]
2315	}
2316	if {[llength $histlist] == 0} return
2317
2318	set w .back
2319	catch {destroy $w}
2320	toplevel $w -bg beige
2321	if {$expgui(globalmode) != 0} {
2322	wm title $w "Global Edit Background"
2323	} else {
2324	wm title $w "Edit Background"
2325	}
2326
2327	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2328	] -side top -expand yes -fill both
2329	if {[llength $histlist] > 1} {
2330	grid [label $w.0.a \
2331	-text "Setting background terms for histograms [CompressList $histlist]" \
2332	-bg beige] -row 0 -column 0 -columnspan 10
2333	} else {
2334	grid [label $w.0.a \
2335	-text "Setting background terms for histogram $histlist" \
2336	-bg beige] -row 0 -column 0 -columnspan 4
2337	grid [button $w.0.bkg -text "Fit Background\nGraphically" \
2338	-command "QuitEditBackground $w; bkgedit $histlist"] \
2339	-row 0 -column 4 -rowspan 2
2340	grid columnconfig $w.0 0 -weight 1
2341	grid columnconfig $w.0 4 -weight 1
2342	}
2343	set hist [lindex $histlist 0]
2344	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0 -sticky e
2345
2346	# disable traces on expgui(backtype) & expgui(backterms) now
2347	set entrycmd(trace) 0
2348
2349	# number of terms
2350	set expgui(backtype) [histinfo $hist backtype]
2351	set expgui(orig_backtype) $expgui(backtype)
2352	set expgui(prev_backtype) $expgui(backtype)
2353	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2354	$typemenu delete 0 end
2355	foreach item {
2356	"1 - Shifted Chebyschev"
2357	"2 - Cosine Fourier series"
2358	"3 - Radial distribution peaks"
2359	"4 - Power series in Q**2n/n!"
2360	"5 - Power series in n!/Q**2n"
2361	"6 - Power series in Q2n/n! and n!/Q2n"
2362	"7 - Linear interpolation function"
2363	"8 - Reciprocal interpolation function"
2364	} {
2365	set val [lindex $item 0]
2366	$typemenu insert end radiobutton -variable expgui(backtype) \
2367	-label $item -value $val
2368	}
2369
2370	grid $w.0.type -row 1 -column 1
2371	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2372
2373	# function type
2374	set expgui(backterms) [histinfo $hist backterms]
2375	set expgui(orig_backterms) $expgui(backterms)
2376	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2377	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2378	grid $w.0.terms -row 1 -column 3
2379	# enable traces on expgui(backtype) & expgui(backterms) now
2380	set entrycmd(trace) 1
2381
2382	#set background terms
2383	for {set num 1 } { $num <= 36 } { incr num } {
2384	set var "bterm$num"
2385	set expgui($var) {}
2386	set expgui(orig_$var) {}
2387	}
2388	if {[llength $histlist] == 1} {
2389	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2390	set var "bterm$num"
2391	set expgui($var) [histinfo $histlist $var]
2392	set expgui(orig_$var) $expgui($var)
2393	}
2394	}
2395
2396	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2397	-expand yes -fill both
2398	ShowBackTerms $w.1
2399
2400	set expgui(temp) {}
2401	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2402	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2403	grid [button $w.b.3 -text Quit \
2404	-command "QuitEditBackground $w"] -row 0 -column 2
2405	grid [button $w.b.help -text Help -bg yellow \
2406	-command "MakeWWWHelp expgui3.html EditBackground"] \
2407	-row 0 -column 4
2408	grid columnconfig $w.b 0 -weight 1
2409	grid columnconfig $w.b 3 -weight 1
2410	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2411	bind $w <Return> "destroy $w"
2412
2413	# force the window to stay on top
2414	putontop $w
2415
2416	focus $w.b.2
2417	tkwait window $w
2418	afterputontop
2419
2420	if {$expgui(temp) != ""} return
2421
2422	if {$expgui(orig_backtype) != $expgui(backtype)} {
2423	histinfo $histlist backtype set $expgui(backtype)
2424	incr expgui(changed)
2425	}
2426	if {$expgui(orig_backterms) != $expgui(backterms)} {
2427	histinfo $histlist backterms set $expgui(backterms)
2428	incr expgui(changed)
2429	}
2430	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2431	set var "bterm$num"
2432	if {$expgui(orig_$var) != $expgui($var)} {
2433	histinfo $histlist $var set $expgui($var)
2434	incr expgui(changed)
2435	}
2436	}
2437
2438	if {$expgui(globalmode) == 0} {
2439	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2440	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2441	}
2442	}
2443
2444	trace variable expgui(backterms) w ChangeBackTerms
2445	proc ChangeBackTerms {a b c} {
2446	global entrycmd expgui
2447	if !$entrycmd(trace) return
2448	ShowBackTerms .back.1
2449	}
2450
2451	trace variable expgui(backtype) w ChangeBackType
2452	# reset the terms to 1, 0, 0... when the number of terms increase
2453	proc ChangeBackType {a b c} {
2454	global entrycmd expgui
2455	if !$entrycmd(trace) return
2456	if {$expgui(prev_backtype) == $expgui(backtype)} return
2457	set expgui(prev_backtype) $expgui(backtype)
2458	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2459	set var "bterm$num"
2460	if {$num == 1} {
2461	set expgui($var) 1.0
2462	} else {
2463	set expgui($var) 0.0
2464	}
2465	}
2466	}
2467
2468	proc ShowBackTerms {w } {
2469	global expgui expmap
2470	# destroy the contents of the frame
2471	eval destroy [winfo children $w]
2472	set histlist {}
2473	foreach n $expgui(curhist) {
2474	lappend histlist [lindex $expmap(powderlist) $n]
2475	}
2476	set widgetsPerRow 4
2477	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2478	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2479	set var "bterm$num"
2480	grid [label $w.l$num -text $num -bg beige] \
2481	-row $rows -column $cols -sticky nes
2482	incr cols
2483	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2484	] -row $rows -column $cols -sticky news
2485	incr cols
2486	}
2487	}
2488	}
2489
2490	proc QuitEditBackground {w} {
2491	global expgui
2492	# lets find out if anything changed
2493	set changed 0
2494	if {$expgui(orig_backtype) != $expgui(backtype)} {
2495	set changed 1
2496	}
2497	if {$expgui(orig_backterms) != $expgui(backterms)} {
2498	set changed 1
2499	}
2500	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2501	set var "bterm$num"
2502	if {$expgui(orig_$var) != $expgui($var)} {
2503	set changed 1
2504	break
2505	}
2506	}
2507	if $changed {
2508	set decision [tk_dialog .changes "Abandon Changes" \
2509	"You have made changes to the background. Ok to abandon changes?" \
2510	warning 0 Abandon Keep]
2511	if !$decision {
2512	set expgui(temp) "Quit"
2513	destroy $w
2514	}
2515	} else {
2516	set expgui(temp) "Quit"
2517	destroy $w
2518	}
2519	}
2520
2521	# this probably needs work
2522	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2523	global expgui expmap
2524	set w .global
2525	catch {destroy $w}
2526	toplevel $w -bg beige
2527	wm title $w "Edit Global Parameter"
2528	set expgui(temp) {}
2529	if {[llength $histlist] == 0} {
2530	set hist {}
2531	foreach n $expgui(curhist) {
2532	lappend hist [lindex $expmap(powderlist) $n]
2533	}
2534	} else {
2535	set hist $histlist
2536	}
2537	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2538	-side top -expand yes -fill both
2539	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2540	-bg beige] \
2541	-row 0 -column 0 -columnspan 10
2542	grid [entry $w.0.b -textvariable expgui(temp)] \
2543	-row 1 -column 0
2544
2545
2546	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2547	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2548	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2549	pack [button $w.b.help -text Help -bg yellow \
2550	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2551	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2552	bind $w <Return> "destroy $w"
2553
2554	# force the window to stay on top
2555	putontop $w
2556	focus $w.b.2
2557	tkwait window $w
2558	afterputontop
2559
2560	if {$expgui(temp) != ""} {
2561	foreach h $hist {
2562	if {$cmd == "histinfo"} {
2563	histinfo $h $variable set $expgui(temp)
2564	incr expgui(changed)
2565	if $expgui(debug) {
2566	puts "histinfo $h $variable set $expgui(temp)"
2567	}
2568	} elseif {$cmd == "hapinfo"} {
2569	hapinfo $h $phase $variable set $expgui(temp)
2570	incr expgui(changed)
2571	if $expgui(debug) {
2572	puts "hapinfo $phase $h $variable set $expgui(temp)"
2573	}
2574	} else {
2575	error "$cmd unimplemented"
2576	}
2577	}
2578	}
2579	}
2580
2581	proc EditProfile {title histlist phaselist} {
2582	global expgui expmap entrycmd
2583	set w .back
2584	catch {destroy $w}
2585	toplevel $w -bg beige
2586	wm title $w "Global Edit Profile"
2587	set hist [lindex $histlist 0]
2588	set phase [lindex $phaselist 0]
2589	set ptype [string trim [hapinfo $hist $phase proftype]]
2590	set htype [string range $expmap(htype_$hist) 2 2]
2591	set nterms [hapinfo $hist $phase profterms]
2592
2593	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2594	] -side top -expand yes -fill both
2595	grid [label $w.0.a \
2596	-text "Setting profile terms: $title" \
2597	-bg beige] -row 0 -column 0 -columnspan 10
2598	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2599	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2600	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2601	set entrylist {}
2602	lappend entrylist "pcut $w.0.d"
2603
2604	set col -1
2605	set row 1
2606	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2607	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2608	] -side top -expand yes -fill both
2609	for { set num 1 } { $num <= $nterms } { incr num } {
2610	set term {}
2611	catch {set term [lindex $lbls $num]}
2612	if {$term == ""} {set term $num}
2613	incr col
2614	grid [label $w.1.l${num} -text "$term" -bg beige] \
2615	-row $row -column $col
2616	incr col
2617	grid [entry $w.1.ent${num} \
2618	-width 14] -row $row -column $col
2619	lappend entrylist "pterm$num $w.1.ent${num}"
2620	if {$col > 6} {set col -1; incr row}
2621	}
2622	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2623	grid [button $w.b.2 -text Set \
2624	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2625	[list $histlist] $w"] -row 0 -column 1
2626	grid [button $w.b.3 -text Quit \
2627	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2628	grid [button $w.b.help -text Help -bg yellow \
2629	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2630	-row 0 -column 4
2631	grid columnconfig $w.b 0 -weight 1
2632	grid columnconfig $w.b 3 -weight 1
2633	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2634	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2635
2636	# force the window to stay on top
2637	putontop $w
2638	focus $w.b.2
2639	tkwait window $w
2640	afterputontop
2641	}
2642
2643	proc SetEditProfile {entrylist phaselist histlist w} {
2644	global expgui
2645	foreach item $entrylist {
2646	set value [ [lindex $item 1] get ]
2647	if {$value != ""} {
2648	hapinfo $histlist $phaselist [lindex $item 0] set $value
2649	incr expgui(changed)
2650	if $expgui(debug) {
2651	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2652	}
2653	}
2654	}
2655	destroy $w
2656	}
2657
2658	proc QuitEditProfile {w entrylist} {
2659	global expgui
2660	# lets find out if anything changed
2661	set changed 0
2662	foreach item $entrylist {
2663	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2664	}
2665	if $changed {
2666	set decision [tk_dialog .changes "Abandon Changes" \
2667	"You have made changes to the Profile. Ok to abandon changes?" \
2668	warning 0 Abandon Keep]
2669	if !$decision {destroy $w}
2670	} else {
2671	destroy $w
2672	}
2673	}
2674
2675	##############################################################################
2676	## #############################################
2677	## END OF THE PROCEDURES SECTION #############################################
2678	## #############################################
2679	##############################################################################
2680
2681	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2682	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2683	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2684	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2685	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2686	# A frame for menu items at top of display
2687	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2688	# Pack the menu frame.
2689	pack $expgui(fm) -fill x -side top -anchor n
2690
2691	# create a button bar
2692	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2693
2694	# Creating the notebook and panes
2695
2696	# create an array element describing each notebook page (used with BW only)
2697	# element 0 -- pane name
2698	# 1 -- Label on frame
2699	# 2 -- initialization command
2700	# 3 -- update command
2701	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2702	# are selected in global mode, 0 otherwise
2703	# 5 -- Web page for pane
2704	# 6 -- name anchor on Web page for pane
2705	set expgui(notebookpagelist) {
2706	{lsFrame "LS Controls" \
2707	"" \
2708	SetupExtractHist \
2709	0 expgui1.html ""}
2710	{phaseFrame Phase \
2711	"" \
2712	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2713	0 expgui2.html ""}
2714	{histFrame Histogram \
2715	MakeHistPane \
2716	DisplayHistogram \
2717	1 expgui3.html ""}
2718	{fracFrame Scaling \
2719	MakeScalingPane \
2720	DisplayFrac \
2721	0 expgui4.html ""}
2722	{profFrame Profile \
2723	MakeProfilePane \
2724	DisplayProfile \
2725	1 expgui5.html ""}
2726	{consFrame Constraints \
2727	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2728	DisplayConstraintsPane \
2729	0 expgui6.html ""}
2730	{orientFrame "MD Pref Orient" \
2731	MakeOrientPane \
2732	DisplayOrient \
2733	0 expgui7.html MD}
2734	{odfFrame "SH Pref Orient" \
2735	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2736	DisplayODFPane \
2737	0 expgui7.html ODF}
2738	}
2739
2740	if $expgui(haveBW) {
2741	pack [NoteBook .n -bd 2] -expand yes -fill both
2742	# this should not be needed, but for some reason NoteBook is not
2743	# using the optionDB
2744	catch {.n configure -font [option get .n font Canvas]}
2745	foreach item $expgui(notebookpagelist) {
2746	set frm [lindex $item 0]
2747	set expgui($frm) [\
2748	.n insert end $frm -text [lindex $item 1] \
2749	-createcmd [lindex $item 2] \
2750	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2751
2752	# at this time expgui(frameactionlist) is generated
2753	# from expgui(notebookpagelist), but in the future it might
2754	# make sense to use expgui(notebookpagelist) directly
2755	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2756
2757	# panes to disable in global "all" mode
2758	if {[lindex $item 4]} {
2759	lappend expgui(GlobalModeAllDisable) \
2760	"$frm \{.n itemconfigure $frm\}"
2761	}
2762	}
2763	} else {
2764	Notebook:create .n \
2765	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2766	pack .n -anchor w -fill both -expand yes
2767	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2768	orientFrame} \
2769	page {"LS Controls" Phase Histogram Scaling Profile \
2770	"MD Pref Orient"} {
2771	set expgui($item) [Notebook:frame .n $item]
2772	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2773	}
2774	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2775	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2776	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2777	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2778	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2779	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2780	set expgui(GlobalModeAllDisable) {}
2781	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2782	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2783	}
2784
2785	# this is used to bring up the selected frame
2786	proc RaisePage {nextpage} {
2787	global expgui
2788	if $expgui(haveBW) {
2789	.n see $nextpage
2790	.n raise $nextpage
2791	set expgui(pagenow) $nextpage
2792	} else {
2793	Notebook:raise .n $nextpage
2794	InitPage $nextpage
2795	}
2796	}
2797	# this is only called when BWidget is not in use
2798	proc InitPage {nextpage} {
2799	global expgui
2800	set expgui(pagenow) $nextpage
2801	UpdateCurrentPage
2802	}
2803	# resize the notebook to fit all the tabs and the largest page
2804	proc ResizeNotebook {} {
2805	global expgui
2806	if {$expgui(haveBW)} {
2807	.n compute_size
2808	} else {
2809	Notebook:resize .n
2810	}
2811	}
2812
2813	#----------------------------------------------------------------------------
2814	proc MakePhasePane {} {
2815	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2816	global expgui entryvar entrybox entrycmd
2817	frame $expgui(phaseFrame).top
2818	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2819	# This is a big frame in the Phase notebook pane to hold atomic data.
2820	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2821	-relief raised -borderwidth 4 -class Coord]
2822	# This is a frame just below the big frame: for edits
2823	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2824	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2825
2826	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2827	grid $frameLatt -sticky news -row 2 -column 0
2828	grid $fbig -sticky news -row 3 -column 0
2829	# give extra space to the atoms box
2830	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2831	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2832	grid $frame3 -sticky news -row 4 -column 0
2833	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2834	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2835	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2836	# this is where the buttons will go
2837	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2838
2839	grid [label $expgui(phaseFrame).top.lA -text title: \
2840	-fg blue ] -column 1 -row 0 -sticky e
2841	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2842	-fg blue -width 45] -column 2 -row 0 -sticky e
2843	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2844	# ------------- Lattice Parameter Box ------------------
2845	set row 0
2846	foreach col {2 4 6} var {a b c} lbl {a b c} {
2847	grid [label $frameLatt.l$var -text $lbl] \
2848	-column $col -row $row -padx 5 -sticky e
2849	incr col
2850	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2851	-column $col -row $row -padx 5
2852	set entrybox($var) $frameLatt.e$var
2853	}
2854	incr row
2855	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2856	grid [label $frameLatt.l$var -text $lbl] \
2857	-column $col -row $row -padx 5 -sticky e
2858	set font [$frameLatt.l$var cget -font]
2859	$frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
2860
2861	incr col
2862	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2863	-column $col -row $row -padx 5
2864	set entrybox($var) $frameLatt.e$var
2865	}
2866
2867	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2868	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2869	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2870	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2871	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2872	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2873	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2874	-column 1 -row 0 -rowspan 2
2875	if [file executable $expgui(exptool)] {
2876	grid [button $expgui(phaseFrame).frameLatt.newp \
2877	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
2878	] -column 0 -row 0 -rowspan 2 -sticky w
2879	}
2880	grid columnconfig $frameLatt 1 -weight 1
2881	grid columnconfig $frameLatt 0 -weight 1
2882	#-------------- Begin Atom Coordinates Box ------------------------------
2883	grid [listbox $fbig.title -height 1 -relief flat \
2884	-exportselection 0 -bg lightgrey -fg black \
2885	-selectforeground black -selectbackground lightgrey] \
2886	-row 0 -column 0 -sticky ew
2887	set expgui(atomtitle) $fbig.title
2888	bind $expgui(atomtitle) <Button-1> {
2889	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2890	incr i
2891	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2892	DisplayAllAtoms
2893	}
2894	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2895
2896	$expgui(atomtitle) configure -selectmode extended
2897	grid [listbox $fbig.lbox -height 10 \
2898	-exportselection 0 \
2899	-xscrollcommand " $fbig.bscr set"\
2900	-yscrollcommand " $fbig.rscr set"\
2901	] -row 1 -column 0 -sticky news
2902	set expgui(atomlistbox) $fbig.lbox
2903	$expgui(atomlistbox) configure -selectmode extended
2904	grid [scrollbar $fbig.bscr -orient horizontal \
2905	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2906	] -row 2 -column 0 -sticky ew
2907	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2908	] -row 1 -column 1 -sticky ns
2909	# give extra space to the atoms box
2910	grid columnconfigure $fbig 0 -weight 1
2911	grid rowconfigure $fbig 1 -weight 1
2912
2913	# BIND mouse in editbox
2914	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2915	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2916
2917	#-------------- End Atoms Section ---------------------------------
2918
2919	# --------------------------- Begin Edit Box ------------------------
2920	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2921	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2922	if [file executable $expgui(exptool)] {
2923	button $frame3.newa -text "Add New Atoms" \
2924	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2925	-command {MakeAddAtomsBox $expgui(curPhase)}
2926	grid $frame3.newa -column 11 -row 0
2927	}
2928	button [set expgui(atomxform) $frame3.xa] \
2929	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2930	-command {MakeXformAtomsBox $expgui(curPhase)}
2931	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2932
2933	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2934	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2935	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2936	grid [checkbutton $frame3.cf$col \
2937	-text $lbl -variable entryvar($var) \
2938	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2939	-activebackground $expgui(bkgcolor1)] \
2940	-column $col -row 1 -padx 4 -pady 3 -sticky w
2941	}
2942	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
2943	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2944
2945	set col 4
2946	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2947	grid [label $frame3.lom$num -text $lbl \
2948	-bg $expgui(bkgcolor1)] \
2949	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2950	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2951	$frame3.om$num config -highlightthickness 0
2952	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2953	}
2954	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2955	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2956
2957	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2958	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2959
2960	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2961	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2962	set expgui(atomlabels) $f3l1
2963
2964	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2965	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2966	set expgui(atomentry) $f3e1
2967
2968	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2969	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2970	lappend expgui(atomlabels) $f3l8
2971	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2972	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2973	lappend expgui(atomlabels) $f3l11
2974
2975	foreach var {x y z frac} col {3 4 5 7} {
2976	set entrybox($var) [entry $frame3.coords.e$var \
2977	-textvariable entryvar($var) -width 10]
2978	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2979	lappend expgui(atomentry) $entrybox($var)
2980	}
2981
2982
2983	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2984	grid $f3f31 -column 0 -row 7 -columnspan 12
2985	set expgui(anisolabels) {}
2986	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2987	lappend expgui(anisolabels) [\
2988	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2989	]
2990	}
2991	set expgui(anisoentry) {}
2992	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2993	lappend expgui(anisoentry) [\
2994	entry $f3f31.$i -textvariable entryvar($var) \
2995	-width 10]
2996	set entrybox($var) $f3f31.$i
2997	}
2998
2999	set col 0
3000	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
3001	grid $item1 -column $col -row 0 -sticky nsw -pady 3
3002	incr col
3003	grid $item2 -column $col -row 0 -sticky nsw -pady 3
3004	incr col
3005	}
3006	# --------------------------- End Edit Box -------------------------
3007
3008	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
3009	# resize in case the pane needs more space
3010	ResizeNotebook
3011	}
3012
3013	proc move2boxes {boxlist args} {
3014	foreach lbox $boxlist {
3015	eval $lbox xview $args
3016	}
3017	}
3018	#-----------------------------------------------------------------------------
3019	proc MakeHistPane {} {
3020	#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
3021	global expgui
3022
3023	grid columnconfigure $expgui(histFrame) 0 -weight 1
3024	grid rowconfigure $expgui(histFrame) 1 -weight 1
3025	grid rowconfigure $expgui(histFrame) 2 -weight 1
3026	grid rowconfigure $expgui(histFrame) 3 -weight 1
3027
3028	grid [frame $expgui(histFrame).hs -class HistList] \
3029	-column 0 -row 0 -rowspan 10 -sticky nsew
3030	MakeHistBox $expgui(histFrame).hs
3031	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
3032	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
3033	DisplayHistogram
3034	}
3035	bind $expgui(histFrame).hs.lbox <Button-3> {
3036	if $expgui(globalmode) {
3037	$expgui(histFrame).hs.lbox selection set 0 end
3038	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
3039	DisplayHistogram
3040	}
3041	}
3042
3043	frame $expgui(histFrame).top -borderwidth 4 -relief groove
3044	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
3045	if $expgui(haveBW) {
3046	foreach item {backBox diffBox} num {2 3} \
3047	title {Background "Diffractometer Constants"} {
3048	TitleFrame $expgui(histFrame).$item \
3049	-borderwidth 4 -side left -relief groove -text $title
3050	set expgui($item) [$expgui(histFrame).$item getframe]
3051	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
3052	grid rowconfigure $expgui(histFrame) $num -minsize 100
3053	}
3054	} else {
3055	foreach item {backBox diffBox} num {1 2} \
3056	title {Background "Diffractometer Constants"} {
3057	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
3058	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
3059	set expgui($item) $expgui(histFrame).$item
3060	grid [label $expgui(histFrame).$item.title -text $title] \
3061	-row 0 -column 0 -columnspan 10 -sticky nw
3062	}
3063	}
3064	grid [frame $expgui(histFrame).bb] -column 1 -row 6
3065	if [file executable $expgui(exptool)] {
3066	button $expgui(histFrame).bb.newh -text "Add New Histogram" -command MakeAddHistBox
3067	grid $expgui(histFrame).bb.newh -column 1 -row 1
3068	}
3069	if [file exists [file join $expgui(scriptdir) excledt]] {
3070	button $expgui(histFrame).bb.excl -text "Data Limits/Exclude" -command excledit
3071	grid $expgui(histFrame).bb.excl -column 0 -row 1
3072	}
3073
3074	# BACKGROUND information.
3075	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
3076	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
3077	grid [label $expgui(backBox).frm1.lBGType \
3078	-textvariable expgui(backtypelbl)] \
3079	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3080	grid [label $expgui(backBox).frm1.lBGTerms \
3081	-textvariable expgui(backtermlbl)] \
3082	-row 1 -column 1 -sticky nws -padx 2 -pady 3
3083	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
3084	-command editbackground] \
3085	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
3086	grid [frame $expgui(backBox).frm2 ] \
3087	-row 1 -column 0 -columnspan 11 -sticky e
3088	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
3089	-row 2 -column 1 -sticky news -padx 4 -pady 3
3090	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
3091	-variable entryvar(bref) ] \
3092	-row 2 -column 2 -sticky news -padx 4 -pady 3
3093	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
3094	-row 2 -column 3 -sticky w -padx 2 -pady 3
3095	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
3096	grid $expgui(backBox).frm2.om \
3097	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
3098	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3099	# insert the histograms & resize in case the pane needs more space
3100	sethistlist
3101	ResizeNotebook
3102	}
3103	###############################################################################
3104	proc MakeScalingPane {} {
3105	#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
3106	global expgui entryvar entrybox
3107
3108	pack [frame $expgui(fracFrame).hs -class HistList] \
3109	-side left -expand y -fill both
3110	MakeHistBox $expgui(fracFrame).hs
3111	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
3112	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3113	DisplayFrac
3114	}
3115	bind $expgui(fracFrame).hs.lbox <Button-3> {
3116	if $expgui(globalmode) {
3117	$expgui(fracFrame).hs.lbox selection set 0 end
3118	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3119	DisplayFrac
3120	}
3121	}
3122
3123	pack [frame $expgui(fracFrame).f1] -fill both -expand true
3124	# Create a large canvas area containing a frame for each phase in the data set.
3125	# The canvas and vertical scrollbar are inside a frame called f1
3126	if $expgui(haveBW) {
3127	TitleFrame $expgui(fracFrame).f1.scaleBox \
3128	-borderwidth 4 -text "Scale Factor"
3129	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
3130	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3131	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
3132	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
3133	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3134	} else {
3135	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
3136	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3137	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
3138	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
3139	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3140	}
3141	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
3142	-row 1 -column 1 -sticky ew -padx 4 -pady 3
3143	set entrybox(scale) $expgui(scaleBox).ent1
3144
3145	button $expgui(scaleBox).but1 -text "Set Globally" \
3146	-command "editglobalparm histinfo scale {Scale Factor}"
3147
3148	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
3149	-row 1 -column 2 -sticky nws -padx 2 -pady 3
3150	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
3151	-row 1 -column 3 -sticky news -padx 4 -pady 3
3152	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3153	-row 1 -column 4 -sticky w -padx 2 -pady 3
3154	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3155	grid $expgui(scaleBox).om \
3156	-row 1 -column 5 -sticky news -padx 4 -pady 3
3157	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3158
3159	if $expgui(haveBW) {
3160	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3161	-text "Phase Fractions" -relief groove] \
3162	-sticky news -row 1 -column 0 -columnspan 2
3163	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3164	} else {
3165	set PhaseFractBox $expgui(fracFrame).f1
3166	}
3167	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3168	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3169
3170	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3171	-scrollregion {0 0 5000 500} \
3172	-yscrollcommand "$PhaseFractBox.yscroll set" \
3173	-width 500 -height 350 -bg lightgrey]] \
3174	-sticky news -row 1 -column 0
3175	grid [scrollbar $PhaseFractBox.yscroll \
3176	-command "$expgui(FracBox) yview" \
3177	-orient vertical] \
3178	-sticky ns -row 1 -column 1
3179	frame $expgui(FracBox).f -bd 0
3180	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3181
3182	# the rest of the page is created in DisplayFrac
3183
3184	# insert the histograms & resize in case the pane needs more space
3185	sethistlist
3186	ResizeNotebook
3187	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3188	}
3189	###############################################################################
3190	proc MakeProfilePane {} {
3191	global expgui
3192	# 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
3193	pack [frame $expgui(profFrame).hs -class HistList] \
3194	-side left -expand y -fill both
3195	MakeHistBox $expgui(profFrame).hs
3196	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3197	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3198	DisplayProfile
3199	}
3200	bind $expgui(profFrame).hs.lbox <Button-3> {
3201	if $expgui(globalmode) {
3202	$expgui(profFrame).hs.lbox selection set 0 end
3203	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3204	DisplayProfile
3205	}
3206	}
3207
3208	# Create a large canvas area containing a frame for each phase in the data set.
3209	# The canvas and vertical scrollbar are inside a frame called f1
3210	pack [frame $expgui(profFrame).f1] -fill both -expand true
3211	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3212	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3213	-sticky news -row 0 -column 0
3214	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3215	-sticky ns -row 0 -column 1
3216
3217	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3218	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3219
3220	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3221	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3222	frame $expgui(ProfileBox).f -bd 0
3223	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3224
3225	# insert the histograms & resize in case the pane needs more space
3226	sethistlist
3227	ResizeNotebook
3228	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3229	}
3230
3231	##############################################################################
3232	# 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
3233	array set printopts {
3234	0 "Print the reciprocal metric tensor changes"
3235	1 "Print the correlation matrix"
3236	2 "Print the Least-Squares matrices and vectors"
3237	4 "Print the linear constraint matrices"
3238	5 "Print the applied shifts and shift factors"
3239	6 "Print the reciprocal metric tensor Var-Covar terms"
3240	7 "Print all parameters for each cycle"
3241	8 "Print summary shift/esd data after last cycle"
3242	9 "Print zero/unit pole figure constraint terms"
3243	}
3244	pack [frame $expgui(lsFrame).hs -class HistList] \
3245	-side left -expand y -fill both
3246	MakeHistBox $expgui(lsFrame).hs
3247	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3248	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3249	SetupExtractHist
3250	}
3251	bind $expgui(lsFrame).hs.lbox <Button-3> {
3252	if $expgui(globalmode) {
3253	$expgui(lsFrame).hs.lbox selection set 0 end
3254	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3255	SetupExtractHist
3256	}
3257	}
3258
3259	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3260	set row 0
3261	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3262	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3263	-textvariable expgui(last_History)] \
3264	-row $row -column 1 -columnspan 5 -sticky w
3265	incr row
3266	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3267	grid [entry $expgui(lsFrame).f1.tit2 \
3268	-textvariable entryvar(title) -width 48] \
3269	-row $row -column 1 -columnspan 5 -sticky w
3270	set entrycmd(title) "expinfo title"
3271
3272	incr row
3273	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3274	incr row
3275	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3276	-row $row -column 0 -columnspan 2 -pady 3 -sticky s
3277	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3278	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3279	-textvariable entryvar(cycles)] -row 0 -column 1
3280	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3281
3282	grid [frame $expgui(lsFrame).f1.cv -bd 4 -relief groove] \
3283	-row $row -column 2 -sticky ew
3284	grid [label $expgui(lsFrame).f1.cv.l -text "Convgerence Criterion"] \
3285	-row 0 -column 0 -columnspan 2
3286	grid [label $expgui(lsFrame).f1.cv.v -textvariable expgui(convlbl)] -row 1 -column 0
3287	grid [scale $expgui(lsFrame).f1.cv.s -orient horizontal \
3288	-from -200 -to 200 -showvalue 0 -command SetConv -resolution 10 \
3289	-variable expgui(convg)] -row 1 -column 1
3290
3291	incr row
3292	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3293	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3294	] -row $row -column 0 -columnspan 2
3295	menu $expgui(lsFrame).f1.lprint.menu
3296	foreach num [lsort [array names printopts]] {
3297	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3298	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3299	-variable entryvar(printopt$num)
3300	}
3301
3302	grid [frame $expgui(lsFrame).f1.marq -bd 4 -relief groove] \
3303	-row $row -column 2 -sticky ew
3304	grid [label $expgui(lsFrame).f1.marq.l -text "Marquardt Damping"] \
3305	-row 0 -column 0 -columnspan 2
3306	grid [label $expgui(lsFrame).f1.marq.v -textvariable expgui(marq)] \
3307	-row 1 -column 0
3308	grid [scale $expgui(lsFrame).f1.marq.s -orient horizontal \
3309	-from 1.0 -to 9.99 -showvalue 0 -command SetMarq -resolution 0.01 \
3310	-variable expgui(marq)] -row 1 -column 1
3311
3312	incr row
3313	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3314
3315	incr row
3316	if {$expgui(haveBW)} {
3317	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3318	-text "Reflection Intensity Extraction" \
3319	] -row $row -column 0 -columnspan 6
3320	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3321	} else {
3322	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3323	] -row $row -column 0 -columnspan 6
3324	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3325	}
3326
3327	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3328	-row 0 -column 8 -columnspan 3 -sticky ens
3329	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3330	-row 0 -column 2
3331	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3332	-variable entryvar(fobsextract)] -row 0 -column 3
3333
3334	grid [frame $expgui(FobsExtractFrame).d -bd 4 -relief groove] \
3335	-row 0 -column 3 -columnspan 5 -sticky ens
3336	grid [label $expgui(FobsExtractFrame).d.fol -text "LeBail damping"] \
3337	-row 0 -column 2
3338	tk_optionMenu $expgui(FobsExtractFrame).d.d entryvar(LBdamp) \
3339	0 1 2 3 4 5 6 7 8 9
3340	grid $expgui(FobsExtractFrame).d.d -row 0 -column 3
3341	incr row
3342	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3343
3344
3345
3346	foreach num {1 2 3 4 5 6 7 8 9} {
3347	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3348	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3349	-command "HistExtractSet $num" \
3350	-variable expgui(Fextract$num) -value 0] \
3351	-row 2 -column $num
3352	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3353	-command "HistExtractSet $num" \
3354	-variable expgui(Fextract$num) -value 1] \
3355	-row 3 -column $num
3356	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3357	-command "HistExtractSet $num" \
3358	-variable expgui(Fextract$num) -value 2] \
3359	-row 4 -column $num
3360	}
3361	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3362	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3363	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3364
3365	grid [label $expgui(FobsExtractFrame).t \
3366	-text "Extraction\nMethod" -anchor c] \
3367	-column 0 -row 0 -sticky n
3368	grid [label $expgui(FobsExtractFrame).t0 -text "(Phase #)" -anchor c] \
3369	-column 10 -row 1 -sticky w
3370	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3371	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3372	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3373	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3374	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3375
3376	proc InitLSvars {} {
3377	global expgui
3378	set expgui(convg) [set expgui(convinit) [expinfo convg]]
3379	set expgui(convlbl) [format %5.2f [expr pow(10,$expgui(convg)/100.)]]
3380	set expgui(marq) [set expgui(marqinit) [expinfo marq]]
3381	}
3382	proc SetConv {x} {
3383	global expgui
3384	if {$x != $expgui(convinit) && $expgui(changed) <= 0} {
3385	incr expgui(changed)
3386	}
3387	if {$expgui(changed)} {expinfo convg set $x}
3388	set expgui(convlbl) [format %5.2f [expr {pow(10,$x/100.)}]]
3389	}
3390	proc SetMarq {x} {
3391	global expgui
3392	if {$x != $expgui(marqinit) && $expgui(changed) <= 0} {
3393	incr expgui(changed)
3394	}
3395	if {$expgui(changed)} {expinfo marq set $x}
3396	}
3397	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3398	#-------------------------------------------------------------------------
3399	#-------------------------------------------------------------------------
3400	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3401
3402	#---- file menu button
3403	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3404	menu $expgui(fm).file.menu
3405	if $expgui(debug) {
3406	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3407	}
3408	if {$expgui(shell)} {
3409	$expgui(fm).file.menu add command -label "Open" -command readnewexp
3410	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3411	}
3412	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3413	-command savearchiveexp
3414	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3415	$expgui(fm).file.menu add command -label "Save As" \
3416	-command "SaveAsFile"
3417	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3418	-command {rereadexp $expgui(expfile)}
3419
3420	#---- help menu button
3421	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3422	menu $expgui(fm).help.menu
3423	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3424	-label "Help Summary"
3425	$expgui(fm).help.menu add command -command MakeWWWHelp \
3426	-label "Help on current pane"
3427	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
3428	-label "Help on menu"
3429	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3430	# define help actions
3431	bind . <Key-F1> MakeWWWHelp
3432	$expgui(fm).help.menu add command -label "About..." -command About
3433
3434	#---- options menu button
3435	menubutton $expgui(fm).option -text Options \
3436	-menu $expgui(fm).option.menu
3437	menu $expgui(fm).option.menu
3438
3439	if {$expgui(shell)} {
3440	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3441	-variable expgui(archive)
3442	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3443	-variable expgui(disaglSeparateBox)
3444	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3445	-variable expgui(autoexpload)
3446	$expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \
3447	-variable expgui(autoiconify)
3448	}
3449	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3450	-label "Sort atoms by"
3451
3452	set expgui(asorttype) number
3453	menu $expgui(fm).option.menu.asort
3454	foreach opt {number type mult x y z occupancy} {
3455	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3456	-label $opt -value $opt -variable expgui(asorttype)
3457	}
3458
3459	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3460	-label "Sort histograms by"
3461
3462	set expgui(hsorttype) number
3463	menu $expgui(fm).option.menu.hsort
3464	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3465	-label number -value number -variable expgui(hsorttype)
3466	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3467	-label "Histogram type" -value type -variable expgui(hsorttype)
3468	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3469	-label "Bank #" -value bank -variable expgui(hsorttype)
3470	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3471	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3472
3473	#---- Global mode menu button
3474	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3475	-label "Multiple hist. selection"
3476	menu $expgui(fm).option.menu.editmode
3477	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3478	-variable expgui(globalmode) -value 0 \
3479	-command sethistlist
3480	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3481	-variable expgui(globalmode) -value 6 \
3482	-command sethistlist
3483	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3484	-variable expgui(globalmode) -value 1 \
3485	-command sethistlist
3486	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3487	-variable expgui(globalmode) -value 2 \
3488	-command sethistlist
3489	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3490	-variable expgui(globalmode) -value 3 \
3491	-command sethistlist
3492	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3493	-variable expgui(globalmode) -value 4 \
3494	-command sethistlist
3495	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3496	-variable expgui(globalmode) -value 5 \
3497	-command sethistlist
3498	$expgui(fm).option.menu.editmode add separator
3499	$expgui(fm).option.menu.editmode add checkbutton \
3500	-label "Group phases together" \
3501	-variable expgui(globalphasemode) \
3502	-command sethistlist
3503
3504	set expgui(globalmode) 0
3505	set expgui(globalphasemode) 1
3506
3507	if {$tcl_platform(platform) == "unix"} {
3508	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3509	-variable env(GSASBACKSPACE)
3510	}
3511
3512	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.font \
3513	-label "Screen font"
3514	menu $expgui(fm).option.menu.font
3515	foreach f {10 11 12 13 14 16 18 20 22} {
3516	$expgui(fm).option.menu.font add radiobutton \
3517	-command {SetTkDefaultOptions $expgui(font); ResizeFont .; ResizeNotebook} \
3518	-label $f -value $f -variable expgui(font) -font "Helvetica -$f"
3519	}
3520
3521	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
3522	-variable expgui(showexptool)
3523	$expgui(fm).option.menu add command -label "Save Options" \
3524	-command "SaveOptions"
3525
3526	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3527
3528	if {$expgui(shell)} {
3529	foreach menu $expgui(menunames) {
3530	set m [string tolower $menu]
3531	pack [menubutton $expgui(fm).$m -text $menu \
3532	-menu $expgui(fm).$m.menu] -side left
3533	menu $expgui(fm).$m.menu
3534	}
3535	}
3536	pack $expgui(fm).help -side right -in $expgui(fm)
3537
3538	if {$expgui(shell)} {
3539	# add the commands in expgui_menulist
3540	foreach menu [array names expgui_menulist ] {
3541	foreach cmd $expgui_menulist($menu) {
3542	set action {}
3543	set opt {}
3544	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3545	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3546	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3547	if {$action != "" && $action != "-"} {
3548	eval $expgui(fm).$menu.menu add command \
3549	-label $cmd $opt -command [list [subst $action]]
3550	if {[lindex $opt 0] == "-underline"} {
3551	catch {
3552	set num [lindex $opt 1]
3553	set key [string range $cmd $num $num]
3554	bind . <Alt-[string tolower $key]> [subst $action]
3555	bind . <Alt-[string toupper $key]> [subst $action]
3556	}
3557	}
3558	}
3559	}
3560	}
3561	}
3562	# setup command help
3563	foreach cmd [array names expgui_cmdlist] {
3564	set help {}
3565	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3566	if {$help == ""} {
3567	if {$expgui(debug)} {puts "no help for $cmd"}
3568	} else {
3569	# remove
3570	regsub -all \x09 $help " " help
3571	# preserve blank lines
3572	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3573	regsub -all \x0A $help " " help
3574	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3575	regsub -all " +" $help " " help
3576	set expgui_helplist($cmd) [string trim $help]
3577	}
3578	}
3579	if {$expgui(shell)} {
3580	# set up button bar
3581	foreach cmd $expgui(buttonlist) {
3582	set action {}
3583	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3584	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3585	if {$action != ""} {
3586	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3587	-text $cmd -command [list [subst $action]]] -side left
3588	}
3589	}
3590	}
3591
3592	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3593	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3594	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3595
3596	# make the phase pane
3597	MakePhasePane
3598	# and the rest of the windows w/o BWidget
3599	if !$expgui(haveBW) {
3600	MakeHistPane
3601	MakeScalingPane
3602	MakeProfilePane
3603	}
3604
3605	# handle indirect exits
3606	wm protocol . WM_DELETE_WINDOW catchQuit
3607	bind . <Control-c> catchQuit
3608
3609	set expgui(curPhase) ""
3610	set expgui(pagenow) ""
3611	set expgui(curhist) {}
3612	set expgui(selectedatomlist) {}
3613
3614	loadexp $expgui(expfile)
3615
3616	# select the 1st phase
3617	SelectOnePhase [lindex $expmap(phaselist) 0]
3618	# select the first histogram in the list by default (if there are any)
3619	if {[llength $expmap(histlistboxcontents)] > 0} {
3620	set expgui(curhist) 0
3621	} else {
3622	set expgui(curhist) {}
3623	}
3624
3625	# execute any local commands for final initialization
3626	eval $expgui(initstring)
3627
3628	# resize the notebook to fit all the tabs and the largest page
3629	ResizeNotebook
3630
3631	RaisePage lsFrame
3632	if {[CountHistory] > 100} {
3633	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3634	}

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