Context Navigation

source: trunk/expgui @ 466

Last change on this file since 466 was 466, checked in by toby, 13 years ago
# on 2001/10/18 23:22:57, toby did: update archiving
Property rcs:author set to `toby` Property rcs:date set to `2001/10/18 23:22:57` Property rcs:lines set to `+40 -127` Property rcs:rev set to `1.49` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 124.5 KB

Line
1	#!/usr/local/bin/wish
2	# $Id: expgui 466 2009-12-04 23:06:38Z toby $
3	set expgui(Revision) {$Revision: 466 $ $Date: 2009-12-04 23:06:38 +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 {*.O[0-9A-F][0-9A-F]} $expfile]} {
245	set expgui(expfile) {}
246	set expnam [file rootname $expfile]
247	set ans [MyMessageBox -parent . -title "Load Archived File" \
248	-message "Loading archived version of $expnam. Do you want to continue using the same experiment name or work with the archived version under a new name?" \
249	-icon question -type "{Use New Name} {Continue with current}" \
250	-default {Use New Name} \
251	-helplink "expguierr.html LoadArchived"
252	]
253	# archive the current .EXP file
254	if {$ans != "use new name" && [file exists $expfile]} {
255	# get the last archived version
256	set lastf [lindex [lsort [glob $expnam.{O\[0-9A-F\]\[0-9A-F\]}]] end]
257	if {$lastf == ""} {
258	set num 01
259	} else {
260	regexp {.*\.O([0-9A-F][0-9A-F])$} $lastf a num
261	scan $num %x num
262	if {$num >= 255} {
263	set num FF
264	} else {
265	set num [string toupper [format %.2x [incr num]]]
266	}
267	}
268	catch {
269	set newfile $expnam.O$num
270	file rename -force $expnam.EXP $newfile
271	exec echo "\n----------------------------------------------" >> $expnam.LST
272	exec echo " Regressing to archive file [file tail $expfile]" >> $expnam.LST
273	exec echo " but first archiving [file tail $expnam.EXP] as [file tail $newfile]" >> $expnam.LST
274	exec echo "----------------------------------------------\n" >> $expnam.LST
275	}
276	}
277	file copy -force $expfile $expnam.EXP
278	set fmt [expload $expfile]
279	# if the file was not in the correct format, force a rewrite before use
280	if {$fmt < 0} {
281	# read error
282	return
283	} elseif {$fmt == 1} {
284	set expgui(changed) 0
285	} else {
286	set expgui(changed) 1
287	}
288	set expfile $expnam.EXP
289	if {$ans == "use new name"} {
290	SaveAsFile
291	set expfile $expgui(expfile)
292	}
293	} else {
294	set exploadtime [time {set fmt [expload $expfile]}]
295	if $expgui(debug) {puts "expload $exploadtime"}
296	# if the file was not in the correct format, force a rewrite before use
297	if {$fmt < 0} {
298	# read error
299	return
300	} elseif {$fmt == 1} {
301	set expgui(changed) 0
302	} else {
303	set expgui(changed) 1
304	}
305	}
306	# force exp files to be upper case, force save if name changes
307	set filetail [file tail $expfile]
308	set filetailcaps [string toupper $filetail]
309	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
310	set expgui(changed) 1
311	}
312	if {[file dirname $expfile] == "."} {
313	set expgui(expfile) $filetailcaps
314	} else {
315	set expgui(expfile) [file join \
316	[file dirname $expfile] $filetailcaps]
317	}
318
319	mapexp
320	set expgui(expModifiedLast) 0
321	catch {
322	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
323	}
324	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
325	# set the window/icon title
326	wm title . "EXPGUI $expfile"
327	set expgui(titleunchanged) 1
328	wm iconname . [file tail $expfile]
329
330	# set the number of phases on the phase page
331	setphases
332
333	# disable the "global options" that don't make sense based on
334	# which histograms present
335	foreach num {1 2 3 4 5} {
336	set flag($num) 0
337	}
338	# save a list of the allowed modes, too
339	set expgui(AllowedHistSelectModes) {0 6}
340	foreach h $expmap(powderlist) {
341	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
342	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
343	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
344	[histinfo $h lam2] != 0.0} {set flag(3) 1}
345	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
346	[histinfo $h lam2] == 0.0} {set flag(4) 1}
347	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
348	}
349	foreach num {1 2 3 4 5} \
350	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
351	"Energy Disp Xray"} {
352	if $flag($num) {
353	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
354	lappend expgui(AllowedHistSelectModes) $num
355	} else {
356	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
357	}
358	}
359	# disable traces on entryvar until we are ready
360	set entrycmd(trace) 0
361	trace vdelete entryvar w entvartrace
362
363	# propogate changes on the least squares page
364	set entryvar(cycles) [expinfo cycles]
365	set entrycmd(cycles) "expinfo cycles"
366	# set expgui(globalmode) 0
367	set expgui(printopt) "Print Options ([expinfo print])"
368	set entryvar(title) [expinfo title]
369	global printopts
370	foreach num [array names printopts] {
371	set entrycmd(printopt$num) "printsetting $num"
372	set entryvar(printopt$num) [printsetting $num]
373	}
374	# enable traces on entryvar
375	set entrycmd(trace) 1
376	trace variable entryvar w entvartrace
377
378	# set fo extraction on LS page
379	SetupExtractHist
380	# set convergence criterion
381	InitLSvars
382
383	# update the histogram list & update the page
384	sethistlist
385
386	# start checking for external changes
387	afterawhile
388	}
389
390	# called to reread the .EXP file
391	proc rereadexp {expfile} {
392	global expgui
393	if $expgui(changed) {
394	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
395	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
396	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
397	switch $decision {
398	0 { savearchiveexp }
399	1 { }
400	2 { return }
401	}
402	}
403	loadexp $expgui(expfile)
404	}
405
406	proc SaveAsFile {} {
407	global expgui
408	set newexpfile [getExpFileName new]
409	if {$newexpfile == ""} return
410	expwrite $newexpfile
411	set expgui(expfile) $newexpfile
412	catch {cd [string trim [file dirname $expgui(expfile)]]}
413	set expgui(changed) 0
414	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
415	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
416	# set the window/icon title
417	wm title . $expgui(expfile)
418	set expgui(titleunchanged) 1
419	wm iconname . [file tail $expgui(expfile)]
420	# set convergence criterion
421	InitLSvars
422	}
423
424	# called to read a different .EXP file
425	proc readnewexp {} {
426	global expgui expmap
427	if $expgui(changed) {
428	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
429	{You have made changes to the Experiment. Reading a different file without first saving will cause the changes to be lost. Select an option:} \
430	{} 0 "Save and read" "Read without Save" "Cancel read command"]
431	switch $decision {
432	0 { savearchiveexp }
433	1 { }
434	2 { return }
435	}
436	}
437	set newexpfile [getExpFileName old]
438	if {$newexpfile == ""} return
439
440	# switch to the 1st page
441	RaisePage lsFrame
442
443	if ![file exists $newexpfile] {
444	# you've been warned this .EXP does not exist!
445	# create an "empty" exp file
446	createexp $newexpfile \
447	[getstring "title for experiment $newexpfile" 60 0]
448	}
449	set expgui(expfile) $newexpfile
450	catch {cd [string trim [file dirname $expgui(expfile)]]}
451	set expgui(globalmode) 0
452	loadexp $expgui(expfile)
453
454	# select the 1st phase
455	SelectOnePhase [lindex $expmap(phaselist) 0]
456	# select the first histogram in the list by default (if there are any)
457	if {[llength $expmap(histlistboxcontents)] > 0} {
458	set expgui(curhist) 0
459	} else {
460	set expgui(curhist) {}
461	}
462	if {[CountHistory] > 100} {
463	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
464	}
465	}
466
467	#------------- set up data read/write layer ----------------------
468	# trace routine on entryvar
469	proc entvartrace {array elem action} {
470	global expgui entrycmd entryvar entrybox
471	if !$entrycmd(trace) return
472
473	catch {
474	if {$entrycmd($elem) == ""} return
475	incr expgui(changed)
476	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
477	if {$entrycmd($elem) == ""} return
478	if [catch {
479	set result [eval $entrycmd($elem) set [list $entryvar($elem)]]
480	if {!$result} {
481	if $expgui(debug) {puts "error with $entrycmd($elem)"}
482	catch {$entrybox($elem) config -fg red}
483	} else {
484	catch {$entrybox($elem) config -fg black}
485	}
486	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
487	after idle {DisplayAllAtoms noreset}
488	}
489	} errmsg] {error $errmsg}
490	}
491	}
492
493	# disable traces on entryvar until we are ready
494	set entrycmd(trace) 0
495	trace variable entryvar w entvartrace
496
497	#
498	#
499	#
500	##############################################################################
501	##### #####################################################
502	##### PROCEDURES SECTION #####################################################
503	##### #####################################################
504	##############################################################################
505
506	# save some of the global options in ~/.gsas_config
507	proc SaveOptions {} {
508	global expgui env tcl_platform
509	set fp [open [file join ~ .gsas_config] a]
510	foreach item {archive asorttype hsorttype filesort disaglSeparateBox font autoexpload autoiconify} {
511	puts $fp "set expgui($item) $expgui($item)"
512	}
513	if {$tcl_platform(platform) != "windows"} {
514	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
515	}
516	close $fp
517	}
518
519	proc About { } {
520	global expgui expmap
521	tk_dialog .about {About...} \
522	"EXPGUI\n\
523	Jonathan Wasserman and Brian Toby\n\
524	NIST Center for Neutron Research\n\n\
525	2000, Not subject to copyright\n\n\
526	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
527	Cite: B. H. Toby, EXPGUI, a graphical\n\
528	user interface for GSAS, J. Appl. Cryst.\n\
529	34, 210-21 (2001).
530	\n\n\
531	Generalized Structure Analysis System\n(GSAS)\n\
532	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
533	" \
534	info 0 OK
535	}
536	proc Cite { } {
537	global expgui expmap
538	tk_dialog .about {Citations...} \
539	"If you use EXPGUI, please cite\n\n\
540	B.H. Toby, EXPGUI, a graphical\n\
541	user interface for GSAS, J. Appl. Cryst.\n\
542	34, 210-21 (2001).\n\n\
543	as well as\n\n\
544	A.C. Larson and R.B. Von Dreele,\n\
545	\"General Structure Analysis System (GSAS)\",\n\
546	Los Alamos National Laboratory Report\n\
547	LAUR 86-748 (2000)." \
548	info 0 OK
549	}
550
551	# wait until idle
552	proc afterawhile {} {
553	# cancel any other instances of this loop
554	after cancel afterawhile
555	after cancel whenidle
556	after cancel whenidle
557	after idle whenidle
558	}
559
560	# This is called every 2 seconds to check for changes to the .EXP file
561	proc whenidle {} {
562	global expgui tcl_platform
563	if $expgui(titleunchanged) {
564	if {$expgui(changed) != 0} {
565	wm title . "$expgui(expfile) (modified)"
566	set expgui(titleunchanged) 0
567	}
568	}
569	if {$expgui(expModifiedLast) == 0} {
570	after 2000 afterawhile
571	return
572	}
573	if {![file exists $expgui(expfile)]} {
574	after 2000 afterawhile
575	return
576	}
577	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
578	# we are "locked". Note that whenidle loop will be restarted later
579	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
580	return
581	}
582	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
583
584	if {$ans == 0} {
585	loadexp $expgui(expfile)
586	} elseif {$ans == 1} {
587	# reset the time to the next version
588	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
589	} elseif {$ans == 2} {
590	SaveAsFile
591	}
592	}
593	after 2000 afterawhile
594	}
595
596	# place a message about changes over the main window
597	proc ReloadExpMsg {file changes} {
598	global expgui tcl_platform
599	set msg "File $file has been modified by another program"
600	if {$changes == 1} {
601	append msg " and you have made a change to this version.\n"
602	} elseif {$changes > 0} {
603	append msg " and you have made $changes changes to this version.\n"
604	} else {
605	append msg ".\n"
606	}
607	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
608
609	set w .ask
610	catch {destroy $w}
611	toplevel $w -class Dialog
612	wm title $w "Reload?"
613	wm iconname $w "Reload?"
614	wm protocol $w WM_DELETE_WINDOW { }
615	wm transient $w .
616	bind $w <Key-F1> "MakeWWWHelp expguierr.html Overwrite"
617	pack [button $w.help -text Help -bg yellow \
618	-command "MakeWWWHelp expguierr.html Overwrite"] \
619	-side top -anchor e
620	frame $w.bot
621	pack $w.bot -side bottom
622	frame $w.top -class FixedFont
623	pack $w.top -side top -fill both -expand 1
624	label $w.top.msg -justify left \
625	-wraplength 5i -font {Times 18} \
626	-text $msg
627	if {$tcl_platform(platform) == "windows"} {
628	$w.top.msg config -font {Times 14}
629	}
630	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
631	pack [button $w.bot.1 -text "Load new" \
632	-default active -command "set expgui(dialogbutton) 0" \
633	] -side left -expand 1 -padx 3m -pady 2m
634	pack [button $w.bot.2 -text "Continue with old" \
635	-command "set expgui(dialogbutton) 1"] \
636	-side left -expand 1 -padx 3m -pady 2m
637	if {$changes > 0} {
638	pack [button $w.bot.3 -text "Save edited version" \
639	-command "set expgui(dialogbutton) 2"] \
640	-side left -expand 1 -padx 3m -pady 2m
641	}
642	# Create a binding for <Return> on the dialog
643	bind $w <Return> "tkButtonInvoke $w.bot.1"
644	wm withdraw $w
645	update idletasks
646
647	# for windows put the box in the upper left, for
648	# unix center it over the parent (in unix it appears later)
649	#if {$tcl_platform(platform) == "windows"} {
650	#wm geom $w +0+0
651	#} else {
652
653	# for now, always center the message over the main window
654	# center the new window in the middle of the parent
655	set x [expr [winfo x .] + [winfo width .]/2 - \
656	[winfo reqwidth $w]/2 - [winfo vrootx .]]
657	set y [expr [winfo y .] + [winfo height .]/2 - \
658	[winfo reqheight $w]/2 - [winfo vrooty .]]
659	wm geom $w +$x+$y
660	#}
661	wm deiconify $w
662
663	# Grab the focus
664	set oldFocus [focus]
665	set oldGrab [grab current $w]
666	if {[string compare $oldGrab ""]} {
667	set grabStatus [grab status $oldGrab]
668	}
669	grab $w
670	focus $w.bot.1
671	# for windows rearrange window stacking
672	# -- Removed since this will normally happen after the GSAS program
673	# has finished
674	#if {$tcl_platform(platform) == "windows"} {
675	#lower .
676	#raise $w .
677	#}
678	update idletasks
679
680	tkwait variable expgui(dialogbutton)
681	catch {focus $oldFocus}
682	destroy $w
683	if {[string compare $oldGrab ""]} {
684	if {![string compare $grabStatus "global"]} {
685	grab -global $oldGrab
686	} else {
687	grab $oldGrab
688	}
689	}
690	# for windows rearrange window stacking
691	#if {$tcl_platform(platform) == "windows"} {
692	#raise .
693	#}
694	return $expgui(dialogbutton)
695	}
696
697	# -------- called to confirm before exiting
698	proc catchQuit {} {
699	if {[confirmBeforeSave] == "Continue"} {
700	destroy .
701	}
702	}
703	# save the .EXP file before exiting?
704	proc confirmBeforeSave {} {
705	global expgui
706	if !$expgui(changed) {
707	return "Continue"
708	}
709	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
710	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
711	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
712	switch $decision {
713	0 { savearchiveexp; return "Continue" }
714	1 { return "Continue" }
715	2 { return "Cancel" }
716	}
717	}
718
719	# setup buttons for each phase on the phase page
720	proc setphases {} {
721	global expgui expmap
722	eval destroy [winfo children $expgui(phaseFrame).top.ps]
723	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
724	foreach num $expmap(phaselist) type $expmap(phasetype) {
725	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
726	-command "SelectOnePhase $num" -padx 1.5m] -side left
727	if {$type > 3} {
728	$expgui(phaseFrame).top.ps.$num config -state disabled
729	}
730	}
731	if {[file executable $expgui(exptool)] && \
732	[llength $expmap(phaselist)]} {
733	pack [button $expgui(phaseFrame).top.ps.10 \
734	-text "Replace" -command MakeReplacePhaseBox \
735	] -side left
736	}
737	}
738
739	# Procedure to respond to changes the phase.
740	# This loads the "phases" widgets with data corresponding to the selected phase.
741	proc SelectOnePhase {num} {
742	global entryvar entrycmd entrybox expmap expgui
743	set crsPhase {}
744	$expgui(atomxform) config -text "Xform Atoms" -state disabled
745	foreach n $expmap(phaselist) type $expmap(phasetype) {
746	if {$n == $num && $type <= 3} {
747	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
748	set crsPhase $num
749	if {$type == 3} {
750	set expgui(phasetype) "Magnetic\nOnly"
751	} elseif {$type == 2} {
752	set expgui(phasetype) "Magnetic\n& Nuclear"
753	} elseif {$type == 4} {
754	# this is not used at present
755	set expgui(phasetype) "Macromolecular"
756	} else {
757	set expgui(phasetype) ""
758	}
759	} else {
760	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
761	}
762	}
763	# no phase is selected
764	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
765	# disable traces on entryvar
766	set entrycmd(trace) 0
767	set entrycmd(phasename) ""
768	set entryvar(phasename) ""
769	foreach ent {a b c alpha beta gamma cellref celldamp} {
770	set entrycmd($ent) ""
771	set entryvar($ent) ""
772	}
773	set expgui(curPhase) {}
774	# enable traces on entryvar
775	set entrycmd(trace) 1
776	$expgui(EditingAtoms) config -text ""
777	DisplayAtom 0 0
778	DisplayU 0 0
779	DisplayRefFlags 0 0
780	$expgui(atomlistbox) delete 0 end
781	return
782	}
783
784	set expgui(curPhase) $crsPhase
785	# we have a phase
786
787	# disable traces on entryvar for right now
788	set entrycmd(trace) 0
789
790	##########################################################
791	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
792	##########################################################
793	# phase title
794	set entrycmd(phasename) "phaseinfo $crsPhase name"
795	set entryvar(phasename) [phaseinfo $crsPhase name]
796	# cell parameters & flags
797	foreach ent {a b c alpha beta gamma cellref celldamp} {
798	set entrycmd($ent) "phaseinfo $crsPhase $ent"
799	set entryvar($ent) [phaseinfo $crsPhase $ent]
800	# reset item to black
801	catch {$entrybox($ent) config -fg black}
802	}
803
804	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
805	# initialize to diasbled
806	DisplayAtom 0 0
807	DisplayU 0 0
808	DisplayRefFlags 0 0
809	$expgui(EditingAtoms) config -text ""
810
811	DisplayAllAtoms
812
813	# enable traces on entryvar now
814	set entrycmd(trace) 1
815	}
816
817	set expgui(noreenterDisplayAllAtoms) 0
818	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
819	proc DisplayAllAtoms {"mode reset"} {
820	global entryvar entrycmd expmap expgui
821	# if it does not show, dont bother
822	if {$expgui(pagenow) != "phaseFrame"} return
823	if {$expgui(curPhase) == ""} return
824	if $expgui(noreenterDisplayAllAtoms) return
825
826	set expgui(noreenterDisplayAllAtoms) 1
827	if {$mode != "reset"} {
828	# save the scrolled position
829	set pos [lindex [$expgui(atomlistbox) yview] 0]
830	} else {
831	# this is a reset -- clear the selected atoms list
832	set expgui(selectedatomlist) {}
833	}
834	$expgui(atomlistbox) delete 0 end
835	# loop over atoms
836	set maxline I
837	set phase $expgui(curPhase)
838	set atomlist {}
839	set typehead "type "
840	set namehead " name "
841	set multhead "Mult"
842	set coordhead " "
843	set frachead "Occupancy"
844	if {$expgui(asorttype) == "type"} {
845	# sort on atom type
846	set typehead "type* "
847	foreach atom $expmap(atomlist_$phase) {
848	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
849	}
850	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
851	} elseif {$expgui(asorttype) == "number"} {
852	# sort on atom number
853	set namehead "* name "
854	foreach atom $expmap(atomlist_$phase) {
855	lappend atomlist "$atom $atom $phase"
856	}
857	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
858	} elseif {$expgui(asorttype) == "mult"} {
859	# sort on atom number
860	set multhead "Mlt*"
861	foreach atom $expmap(atomlist_$phase) {
862	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
863	}
864	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
865	} elseif {$expgui(asorttype) == "occupancy"} {
866	# sort on atom number
867	set frachead " Occup* "
868	foreach atom $expmap(atomlist_$phase) {
869	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
870	}
871	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
872	} elseif {$expgui(asorttype) == "x"} {
873	# sort on x
874	set coordhead "(x*)"
875	foreach atom $expmap(atomlist_$phase) {
876	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
877	}
878	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
879	} elseif {$expgui(asorttype) == "y"} {
880	# sort on y
881	set coordhead "(y*)"
882	foreach atom $expmap(atomlist_$phase) {
883	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
884	}
885	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
886	} elseif {$expgui(asorttype) == "z"} {
887	# sort on z
888	set coordhead "(z*)"
889	foreach atom $expmap(atomlist_$phase) {
890	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
891	}
892	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
893	} else {
894	error "Bad expgui(asorttype) = $expgui(asorttype)"
895	}
896
897	foreach tuple $expmap(atomlistboxcontents) {
898	set atom [lindex $tuple 0]
899	set phase [lindex $tuple 2]
900	set refflag {}
901	foreach type {x u f} {
902	if {[atominfo $phase $atom ${type}ref]} {
903	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
904	} else {
905	append refflag " [atominfo $phase $atom ${type}damp] "
906	}
907	}
908	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
909	$atom \
910	[atominfo $phase $atom label] \
911	[atominfo $phase $atom type] \
912	$refflag \
913	[atominfo $phase $atom x] \
914	[atominfo $phase $atom y] \
915	[atominfo $phase $atom z] \
916	[atominfo $phase $atom mult] \
917	[atominfo $phase $atom frac]
918	]
919
920	# add temperature factors (iso/anoiso)
921	if {[atominfo $phase $atom temptype] == "A"} {
922	set maxline A
923	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
924	[atominfo $phase $atom U11] \
925	[atominfo $phase $atom U22] \
926	[atominfo $phase $atom U33] \
927	[atominfo $phase $atom U12] \
928	[atominfo $phase $atom U23] \
929	[atominfo $phase $atom U13]
930	]
931	} else {
932	append line [format " %9.5f" \
933	[atominfo $phase $atom Uiso]
934	]
935	}
936	$expgui(atomlistbox) insert end $line
937	}
938	$expgui(atomtitle) delete 0 end
939	if {$maxline == "A"} {
940	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
941	$namehead $typehead "ref/damp " \
942	"fractional coordinates$coordhead" \
943	"$multhead $frachead" \
944	" Uiso/Uij "]
945	} else {
946	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
947	$namehead $typehead "ref/damp " \
948	"fractional coordinates$coordhead" \
949	"$multhead $frachead" \
950	" Uiso"]
951	}
952	if {$mode != "reset"} {
953	# restore the selected items
954	foreach i $expgui(selectedatomlist) {
955	$expgui(atomlistbox) selection set $i
956	}
957	# restore the last scrolled position
958	$expgui(atomlistbox) yview moveto $pos
959	}
960	set expgui(noreenterDisplayAllAtoms) 0
961	}
962
963	# Procedure to select all atoms in response to a right-click
964	proc SelectAllAtoms {} {
965	global expgui
966	$expgui(atomlistbox) selection set 0 end
967	# call editRecord in case trace was called before the selection was made
968	editRecord
969	}
970
971	# Procedure to respond to left mouse release in the atoms Pane
972	proc editRecord { args } {
973	global entrycmd expgui
974	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
975	# disable traces on entryvar for right now
976	set entrycmd(trace) 0
977
978	if {[llength $expgui(selectedatomlist)] == 0} {
979	if $expgui(debug) {error "Attempt display non-existent atoms"}
980	} elseif {[llength $expgui(selectedatomlist)] == 1} {
981	editOneRecord $expgui(selectedatomlist)
982	} else {
983	editMultipleRecords $expgui(selectedatomlist)
984	}
985	# reenable traces on entryvar
986	set entrycmd(trace) 1
987	# repaint the atoms box in case anything was changed
988	# DisplayAllAtoms noreset
989	}
990
991	proc editOneRecord { AtomIndex } {
992	global expmap expgui
993	# get atom number & phase
994	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
995	set atomnum [lindex $tuple 0]
996	set p [lindex $tuple 2]
997	DisplayU $atomnum $p
998	DisplayAtom $atomnum $p
999	DisplayRefFlags $atomnum $p
1000	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
1001	$expgui(atomxform) config -text "Xform Atom" -state normal
1002	}
1003
1004	# this will not work for a multi-phase list of atoms (yet)
1005	proc editMultipleRecords { AtomIndexList } {
1006	global expmap expgui
1007	set numberList {}
1008	# current phase
1009	set p $expgui(curPhase)
1010	foreach AtomIndex $AtomIndexList {
1011	# get atom number & phase
1012	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
1013	lappend numberList [lindex $tuple 0]
1014	# set p [lindex $tuple 2]
1015	}
1016	# this needs to track by phase
1017	$expgui(EditingAtoms) config -text \
1018	"Set refinement options: atoms [CompressList $numberList]"
1019	DisplayU 0 0
1020	DisplayAtom 0 0
1021	# this needs to track by phase
1022	DisplayRefFlags $numberList $p
1023	$expgui(atomxform) config -text "Xform Atoms" -state normal
1024	}
1025
1026	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
1027	# becomes "1-4,6,7,13-15,19"
1028	proc CompressList {numberList} {
1029	# format the number list to save space
1030	set lastnum -99
1031	set flist {}
1032	set count 0
1033	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
1034	foreach num $sortlist {
1035	set next [expr $lastnum+1]
1036	if {$num != $next} {
1037	if {$count == 0 && $flist != ""} {
1038	append flist ",$num"
1039	} elseif {$count == 1 && $flist != ""} {
1040	append flist ",$lastnum,$num"
1041	} elseif {$flist != ""} {
1042	append flist "-$lastnum,$num"
1043	} else {
1044	append flist "$num"
1045	}
1046	set lastnum $num
1047	set count 0
1048	} else {
1049	incr count
1050	incr lastnum
1051	}
1052	}
1053	if {$count == 1 && $flist != ""} {
1054	append flist ",$lastnum"
1055	} elseif {$flist != "" && $count > 1} {
1056	append flist "-$lastnum"
1057	}
1058	return $flist
1059	}
1060
1061	# Procedure to display Isotropic or Anisotropic temperature factors
1062	# Changes the display to one entry widget for Isotropic motion OR
1063	# 6 entry widgets for Anisotropic motion in Frame3.
1064	# or disables the widet entirly if atom = 0
1065	proc DisplayU { atomnum p} {
1066	global expgui entryvar entrycmd
1067	if {$atomnum == 0} {
1068	set iOrA disable
1069	} else {
1070	set iOrA [atominfo $p $atomnum temptype]
1071	}
1072
1073	set firstbox [lindex $expgui(anisolabels) 0]
1074	if { $iOrA == "A" } {
1075	$firstbox config -text "U11 "
1076	foreach item $expgui(anisolabels) {
1077	$item config -fg black
1078	}
1079	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1080	set entrycmd($var) "atominfo $p $atomnum $var"
1081	set entryvar($var) [eval $entrycmd($var)]
1082	$item config -fg black -state normal -bg white
1083	}
1084	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1085	foreach item $expgui(anisolabels) {
1086	$item config -fg $expgui(bkgcolor1)
1087	}
1088	foreach item [lrange $expgui(anisoentry) 1 end] \
1089	var {U22 U33 U12 U13 U23} {
1090	set entrycmd($var) ""
1091	set entryvar($var) ""
1092	$item config -fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1093	-state disabled
1094	}
1095	if { $iOrA == "disable"} {
1096	set entrycmd($var) ""
1097	set entryvar($var) ""
1098	[lindex $expgui(anisoentry) 0] config \
1099	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1) \
1100	-state disabled
1101	} else {
1102	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1103	set entryvar(U11) [eval $entrycmd(U11)]
1104	$firstbox config -text Uiso -fg black
1105	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1106	}
1107	}
1108	}
1109
1110	# need to think about multiple phases
1111
1112	# Procedure to display refinement flags
1113	proc DisplayRefFlags { atomnum p} {
1114	global expgui entryvar entrycmd
1115	if {$atomnum == 0} {
1116	foreach label $expgui(atomreflbl) {
1117	$label config -fg $expgui(bkgcolor1)
1118	}
1119	foreach entry $expgui(atomref) {
1120	$entry config -state disabled \
1121	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1122	# turn off checkbuttons
1123	catch {$entry deselect}
1124
1125	}
1126	return
1127	}
1128	foreach label $expgui(atomreflbl) {
1129	$label config -fg black
1130	}
1131	foreach entry $expgui(atomref) {
1132	$entry config -state normal -fg black -bg $expgui(bkgcolor1)
1133	}
1134	foreach var {xref uref fref xdamp udamp fdamp} {
1135	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1136	set entryvar($var) [eval $entrycmd($var)]
1137	}
1138	}
1139
1140	# Procedure to display an atom in the atom edit boxes
1141	proc DisplayAtom { atomnum p} {
1142	global expgui entryvar entrycmd
1143	if {$atomnum == 0} {
1144	foreach label $expgui(atomlabels) {
1145	$label config -fg $expgui(bkgcolor1)
1146	}
1147	foreach entry $expgui(atomentry) {
1148	$entry config -state disabled \
1149	-fg $expgui(bkgcolor1) -bg $expgui(bkgcolor1)
1150	}
1151	return
1152	}
1153	foreach label $expgui(atomlabels) {
1154	$label config -fg black
1155	}
1156	foreach entry $expgui(atomentry) {
1157	$entry config -state normal -fg black -bg white
1158	}
1159	foreach var {x y z label frac } {
1160	set entrycmd($var) "atominfo $p $atomnum $var"
1161	set entryvar($var) [eval $entrycmd($var)]
1162	}
1163	}
1164
1165	# make a histogram box; used in MakeHistPane,
1166	proc MakeHistBox {frm} {
1167	global expgui
1168	grid [label $frm.mode -text "Select a Histogram" \
1169	-bg beige -anchor center] \
1170	-row 0 -column 0 -columnspan 2 -sticky ew
1171	bind $frm.mode <Button-1> {
1172	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1173	set expgui(globalmode) [lindex \
1174	"$expgui(AllowedHistSelectModes) \
1175	$expgui(AllowedHistSelectModes)" [incr i]]
1176	sethistlist
1177	}
1178	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1179	grid [listbox $frm.title -height 1 -relief flat \
1180	-exportselection 0 ] -row 1 -column 0 -sticky ew
1181	grid [listbox $frm.lbox -height 10 -width 25 \
1182	-exportselection 0 \
1183	-xscrollcommand "$frm.x set" \
1184	-yscrollcommand "$frm.y set" \
1185	] -row 2 -column 0 -sticky news
1186	lappend expgui(HistSelectList) $frm
1187	grid [scrollbar $frm.x -orient horizontal \
1188	-command "move2boxesX \" $frm.title $frm.lbox \" "
1189	] -row 3 -column 0 -sticky ew
1190	grid [scrollbar $frm.y \
1191	-command "$frm.lbox yview"] \
1192	-row 2 -column 1 -sticky ns
1193	grid columnconfigure $frm 0 -weight 1
1194	grid rowconfigure $frm 2 -weight 1
1195	}
1196
1197	# update the histogram list
1198	# to do: show histogram ref flags?
1199	proc sethistlist {} {
1200	global expgui expmap
1201	array set lbl {
1202	1 "Select 1 or more\nTOF Histograms"
1203	2 "Select 1 or more\nCW Neutron Histograms"
1204	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1205	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1206	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1207	6 "Select 1 or more of\n any type Histograms"
1208	}
1209	foreach lbox $expgui(HistSelectList) {
1210	$lbox.title delete 0 end
1211	$lbox.lbox delete 0 end
1212	if {$expgui(globalmode) != 0} {
1213	$lbox.lbox config -selectmode extended
1214	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1215	} else {
1216	$lbox.lbox config -selectmode browse
1217	$lbox.mode config -text "Select a histogram" -bg beige
1218	}
1219	}
1220	# disable the unallowed pages in all mode
1221	if {$expgui(globalmode) == 6} {
1222	foreach pair $expgui(GlobalModeAllDisable) {
1223	if {$expgui(pagenow) == [lindex $pair 0]} {
1224	RaisePage lsFrame
1225	}
1226	eval [lindex $pair 1] -state disabled
1227	}
1228	} else {
1229	foreach pair $expgui(GlobalModeAllDisable) {
1230	eval [lindex $pair 1] -state normal
1231	}
1232	}
1233	set histlist {}
1234	if {$expgui(hsorttype) == "type"} {
1235	# sort on histogram type
1236	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1237	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1238	}
1239	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1240	} elseif {$expgui(hsorttype) == "number"} {
1241	# sort on histogram number
1242	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1243	lappend histlist "$h $h"
1244	}
1245	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1246	} elseif {$expgui(hsorttype) == "bank"} {
1247	# sort on original bank number
1248	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1249	lappend histlist "$h [histinfo $h bank]"
1250	}
1251	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1252	} elseif {$expgui(hsorttype) == "angle"} {
1253	# sort on wavelength (CW) or angle (E disp.)
1254	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1255	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1256	set det [format %8.2f [histinfo $h tofangle]]
1257	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1258	set det [format %8.5f [histinfo $h lam1]]
1259	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1260	set det [format %8.2f [histinfo $h lam1]]
1261	} else {
1262	set det {}
1263	}
1264	lappend histlist "$h $det"
1265	}
1266	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1267	}
1268
1269	# title field needs to match longest title
1270	foreach lbox $expgui(HistSelectList) {
1271	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1272	"h#" \
1273	type \
1274	bank \
1275	"ang/wave" \
1276	" title" \
1277	]
1278	}
1279	foreach tuple $expmap(histlistboxcontents) {
1280	set h [lindex $tuple 0]
1281
1282	if {$expgui(globalmode) == 1} {
1283	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1284	} elseif {$expgui(globalmode) == 2} {
1285	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1286	} elseif {$expgui(globalmode) == 3} {
1287	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1288	[histinfo $h lam2] == 0.0} continue
1289	} elseif {$expgui(globalmode) == 4} {
1290	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1291	[histinfo $h lam2] != 0.0} continue
1292	} elseif {$expgui(globalmode) == 5} {
1293	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1294	}
1295
1296	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1297	set det [format %8.2f [histinfo $h tofangle]]
1298	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1299	set det [format %8.5f [histinfo $h lam1]]
1300	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1301	set det [format %8.2f [histinfo $h lam1]]
1302	} else {
1303	set det {}
1304	}
1305	foreach lbox $expgui(HistSelectList) {
1306	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1307	$h \
1308	[string range $expmap(htype_$h) 1 3] \
1309	[histinfo $h bank] \
1310	$det \
1311	[string range [histinfo $h title] 0 66] \
1312	]
1313	}
1314	}
1315	UpdateCurrentPage
1316	}
1317
1318	proc UpdateCurrentPage {} {
1319	global expgui
1320	foreach set $expgui(frameactionlist) {
1321	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1322	}
1323	}
1324
1325	#-----------------------------------------------------------------------
1326	# ----------- draw Histogram page
1327	#-----------------------------------------------------------------------
1328	proc DisplayHistogram {} {
1329	global expgui entrycmd entryvar entrybox expmap
1330
1331	# trap if more than one histogram is selected unless global mode
1332	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1333	set expgui(curhist) [lindex $expgui(curhist) 0]
1334	}
1335
1336	# disable the add histogram button if no phases are present
1337	catch {
1338	foreach c [winfo children $expgui(histFrame).bb] {
1339	if {[llength $expmap(phaselist)] == 0} {
1340	$c configure -state disabled
1341	} else {
1342	$c configure -state normal
1343	}
1344	}
1345	}
1346
1347	# display the selected histograms
1348	$expgui(histFrame).hs.lbox selection clear 0 end
1349	foreach h $expgui(curhist) {
1350	$expgui(histFrame).hs.lbox selection set $h
1351	}
1352
1353	# disable traces on entryvar for right now
1354	set entrycmd(trace) 0
1355
1356	# get histogram list
1357	set histlist {}
1358	foreach item $expgui(curhist) {
1359	lappend histlist [lindex $expmap(powderlist) $item]
1360	}
1361	# must have at least one histogram selected here
1362	if {[llength $histlist] == 0} {
1363	set expgui(backtermlbl) ""
1364	set expgui(backtypelbl) ""
1365	foreach var {bref bdamp} {
1366	set entrycmd($var) ""
1367	set entryvar($var) ""
1368	}
1369	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1370	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1371	set expgui(bkglbl) ""
1372	eval destroy [winfo children $expgui(diffBox)]
1373	set entrycmd(trace) 1
1374	return
1375	}
1376
1377	if {$expgui(globalmode) != 0} {
1378	set expgui(backtermlbl) ""
1379	set expgui(backtypelbl) ""
1380	foreach var {bref bdamp} {
1381	set entrycmd($var) "histinfo [list $histlist] $var"
1382	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1383	}
1384	} else {
1385	set hist $histlist
1386	set terms [histinfo $hist backterms]
1387	set expgui(backtermlbl) "($terms terms)"
1388	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1389	foreach var {bref bdamp} {
1390	set entrycmd($var) "histinfo $hist $var"
1391	set entryvar($var) [eval $entrycmd($var)]
1392	}
1393	}
1394	# Top box
1395	if $expgui(haveBW) {
1396	catch {destroy $expgui(histFrame).pflag}
1397	}
1398	if {$expgui(globalmode) != 0} {
1399	$expgui(histFrame).top.txt config \
1400	-text "Selected Histograms: [CompressList $histlist]"
1401	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1402	set expgui(bkglbl) "Globally Edit Background"
1403	} else {
1404	grid forget $expgui(histFrame).top
1405	set expgui(bkglbl) "Edit Background"
1406	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1407	TitleFrame $expgui(histFrame).pflag \
1408	-borderwidth 4 -side left -relief groove \
1409	-text "Phase Flags"
1410	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1411	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1412	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1413	foreach p $expmap(phaselist) {
1414	pack [checkbutton $expgui(pflag).$p \
1415	-command "GetPhaseFlags $hist" \
1416	-variable expgui(pflag$p) -text $p] -side left
1417	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1418	set expgui(pflag$p) 0
1419	} else {
1420	set expgui(pflag$p) 1
1421	}
1422	}
1423	}
1424	}
1425
1426	# diffractometer constants
1427	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1428	wref pref dcref daref ratref ttref zref } {
1429	set entrycmd($var) "histinfo [list $histlist] $var"
1430	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1431	}
1432
1433	eval destroy [winfo children $expgui(diffBox)]
1434	if {$expgui(globalmode) == 0} {
1435	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1436	#------
1437	# TOF \|
1438	#------
1439	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1440	-column 1 -row 1
1441	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1442	-column 2 -row 1
1443	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1444	-column 3 -row 1 -sticky w
1445	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1446	-width 15 ] -column 4 -row 1
1447	set entrybox(lam1) $expgui(diffBox).eDCdifc
1448	#
1449	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1450	-column 1 -row 2
1451	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1452	-column 2 -row 2
1453	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1454	-column 3 -row 2
1455	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1456	-width 15 ] -column 4 -row 2
1457	set entrybox(lam2) $expgui(diffBox).eDCdifa
1458	#
1459	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1460	-column 3 -row 3
1461	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1462	-width 15 ] -column 4 -row 3
1463	set entrybox(zero) $expgui(diffBox).eDCzero
1464	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1465	-column 1 -row 3 -sticky w
1466	grid [ checkbutton $expgui(diffBox).rfDCzref \
1467	-variable entryvar(zref) ] -column 2 -row 3
1468	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1469	#---------------
1470	# CW - neutron \|
1471	#---------------
1472	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1473	-column 1 -row 1
1474	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1475	-column 2 -row 1
1476	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1477	-column 3 -row 1 -sticky w
1478	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1479	-width 15 ] -column 4 -row 1
1480	set entrybox(lam1) $expgui(diffBox).eDCdifc
1481	#
1482	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1483	-column 1 -row 3 -sticky w
1484	grid [ checkbutton $expgui(diffBox).rfDCzref \
1485	-variable entryvar(zref) ] -column 2 -row 3
1486	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1487	-column 3 -row 3
1488	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1489	-width 15 ] -column 4 -row 3
1490	set entrybox(zero) $expgui(diffBox).eDCzero
1491	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1492	[histinfo $hist lam2] == 0.0} {
1493	#--------------------------
1494	# CW - x-ray 1 wavelength \|
1495	#--------------------------
1496	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1497	-column 1 -row 1
1498	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1499	-column 2 -row 1
1500	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1501	-column 3 -row 1 -sticky w
1502	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1503	-width 15 ] -column 4 -row 1
1504	set entrybox(lam1) $expgui(diffBox).eDCdifc
1505	#
1506	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1507	-column 1 -row 3 -sticky w
1508	grid [ checkbutton $expgui(diffBox).rfDCzref \
1509	-variable entryvar(zref) ] -column 2 -row 3
1510	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1511	-column 3 -row 3
1512	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1513	-width 15 ] -column 4 -row 3
1514	set entrybox(zero) $expgui(diffBox).eDCzero
1515	#
1516	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1517	-column 1 -row 4 -sticky w
1518	grid [ checkbutton $expgui(diffBox).rfDCpref \
1519	-variable entryvar(pref) ] -column 2 -row 4
1520	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1521	-column 3 -row 4
1522	grid [ entry $expgui(diffBox).eDCpola \
1523	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1524	set entrybox(pola) $expgui(diffBox).eDCpola
1525	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1526	-column 5 -row 4
1527	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1528	-textvariable entryvar(ipola)] -column 6 -row 4
1529	set entrybox(ipola) $expgui(diffBox).eDCipola
1530	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1531	#---------------------------
1532	# CW - x-ray 2 wavelengths \|
1533	#---------------------------
1534	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1535	-column 3 -row 1 -sticky w
1536	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1537	-width 15 ] -column 4 -row 1
1538	set entrybox(lam1) $expgui(diffBox).eDCdifc
1539	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1540	-width 15 ] -column 5 -row 1
1541	set entrybox(lam2) $expgui(diffBox).eDCdifa
1542	#
1543	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1544	-column 1 -row 2 -sticky w
1545	grid [ checkbutton $expgui(diffBox).rfDCrref \
1546	-variable entryvar(ratref) ] -column 2 -row 2
1547	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1548	-column 3 -row 2
1549	grid [ entry $expgui(diffBox).eDCkratio \
1550	-textvariable entryvar(kratio) \
1551	-width 15 ] -column 4 -row 2
1552	set entrybox(kratio) $expgui(diffBox).eDCkratio
1553	#
1554	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1555	-column 3 -row 3
1556	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1557	-width 15 ] -column 4 -row 3
1558	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1559	-column 1 -row 3 -sticky w
1560	set entrybox(zero) $expgui(diffBox).eDCzero
1561	grid [ checkbutton $expgui(diffBox).rfDCzref \
1562	-variable entryvar(zref) ] -column 2 -row 3
1563	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1564	-column 1 -row 4 -sticky w
1565	grid [ checkbutton $expgui(diffBox).rfDCpref \
1566	-variable entryvar(pref) ] -column 2 -row 4
1567	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1568	-column 3 -row 4
1569	grid [ entry $expgui(diffBox).eDCpola \
1570	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1571	set entrybox(pola) $expgui(diffBox).eDCpola
1572	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1573	-column 5 -row 4
1574	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1575	-textvariable entryvar(ipola)] -column 6 -row 4
1576	set entrybox(ipola) $expgui(diffBox).eDCipola
1577	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1578	#-------------
1579	# ED - x-ray \|
1580	#-------------
1581	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1582	-column 1 -row 1
1583	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1584	-column 2 -row 1
1585	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1586	-column 3 -row 1 -sticky w
1587	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1588	-width 15 ] -column 4 -row 1
1589	set entrybox(lam1) $expgui(diffBox).eDCdifc
1590	#
1591	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1592	-column 1 -row 4 -sticky w
1593	grid [ checkbutton $expgui(diffBox).rfDCpref \
1594	-variable entryvar(pref) ] -column 2 -row 4
1595	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1596	-column 3 -row 4
1597	grid [ entry $expgui(diffBox).eDCpola \
1598	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1599	set entrybox(pola) $expgui(diffBox).eDCpola
1600	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1601	-column 5 -row 4
1602	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1603	-textvariable entryvar(ipola)] -column 6 -row 4
1604	set entrybox(ipola) $expgui(diffBox).eDCipola
1605	}
1606	} elseif {$expgui(globalmode) == 1} {
1607	#-------------
1608	# Global TOF \|
1609	#-------------
1610	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1611	-column 1 -row 1
1612	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1613	-column 2 -row 1
1614	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1615	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1616	#
1617	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1618	-column 1 -row 2
1619	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1620	-column 2 -row 2
1621	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1622	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1623	#
1624	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1625	-column 1 -row 3 -sticky w
1626	grid [ checkbutton $expgui(diffBox).rfDCzref \
1627	-variable entryvar(zref) ] -column 2 -row 3
1628	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1629	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1630	} elseif {$expgui(globalmode) == 2} {
1631	#--------------------
1632	# Global CW neutron \|
1633	#--------------------
1634	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1635	-column 1 -row 1
1636	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1637	-column 2 -row 1
1638	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1639	-command "editglobalparm histinfo lam1 Wavelength"] \
1640	-column 3 -row 1
1641	#
1642	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1643	-column 1 -row 3 -sticky w
1644	grid [ checkbutton $expgui(diffBox).rfDCzref \
1645	-variable entryvar(zref) ] -column 2 -row 3
1646	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1647	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1648	} elseif {$expgui(globalmode) == 4} {
1649	#----------------------
1650	# Global CW mono xray \|
1651	#----------------------
1652	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1653	-column 1 -row 1
1654	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1655	-column 2 -row 1
1656	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1657	-command "editglobalparm histinfo lam1 Wavelength"] \
1658	-column 3 -row 1
1659	#
1660	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1661	-column 1 -row 3 -sticky w
1662	grid [ checkbutton $expgui(diffBox).rfDCzref \
1663	-variable entryvar(zref) ] -column 2 -row 3
1664	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1665	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1666	#
1667	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1668	-column 1 -row 4 -sticky w
1669	grid [ checkbutton $expgui(diffBox).rfDCpref \
1670	-variable entryvar(pref) ] -column 2 -row 4
1671	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1672	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1673	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1674	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1675	} elseif {$expgui(globalmode) == 3} {
1676	#------------------------
1677	# Global alpha 1,2 xray \|
1678	#------------------------
1679	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1680	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1681	-column 3 -row 1
1682	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1683	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1684	-column 4 -row 1
1685	#
1686	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1687	-column 1 -row 3 -sticky w
1688	grid [ checkbutton $expgui(diffBox).rfDCratref \
1689	-variable entryvar(ratref) ] -column 2 -row 3
1690	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1691	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1692	-column 3 -row 3
1693	#
1694	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1695	-column 1 -row 3 -sticky w
1696	grid [ checkbutton $expgui(diffBox).rfDCzref \
1697	-variable entryvar(zref) ] -column 2 -row 3
1698	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1699	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1700	#
1701	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1702	-column 1 -row 4 -sticky w
1703	grid [ checkbutton $expgui(diffBox).rfDCpref \
1704	-variable entryvar(pref) ] -column 2 -row 4
1705	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1706	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1707	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1708	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1709	} elseif {$expgui(globalmode) == 5} {
1710	#-----------------
1711	# Global ED xray \|
1712	#-----------------
1713	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1714	-column 1 -row 1
1715	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1716	-column 2 -row 1
1717	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1718	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1719	-column 3 -row 1
1720	#
1721	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1722	-column 1 -row 4 -sticky w
1723	grid [ checkbutton $expgui(diffBox).rfDCpref \
1724	-variable entryvar(pref) ] -column 2 -row 4
1725	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1726	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1727	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1728	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1729	}
1730	if {$expgui(globalmode) == 0} {
1731	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1732	-columnspan 2 -sticky e
1733	} else {
1734	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1735	-columnspan 2 -sticky e
1736	}
1737	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1738	-column 1 -row 1
1739	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1740	grid $expgui(diffBox).d.om -column 2 -row 1
1741	grid columnconfigure $expgui(diffBox) 9 -weight 1
1742	grid columnconfigure $expgui(diffBox) 0 -weight 1
1743	update idletasks
1744	# enable traces on entryvar now
1745	set entrycmd(trace) 1
1746	}
1747
1748	# this gets the phase flags as set in the expgui(pflag*) elements
1749	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1750	# accordingly using SetPhaseFlag
1751	proc GetPhaseFlags {hist} {
1752	global expmap expgui
1753	set plist {}
1754	foreach p $expmap(phaselist) {
1755	if {$expgui(pflag$p)} {lappend plist $p}
1756	}
1757	SetPhaseFlag $hist $plist
1758	incr expgui(changed)
1759	mapexp
1760	}
1761
1762	#-----------------------------------------------------------------------
1763	# populate the Scaling page
1764	#-----------------------------------------------------------------------
1765	proc DisplayFrac {} {
1766	global expgui entrycmd entryvar entrybox expmap
1767
1768	# trap if more than one histogram is selected unless global mode
1769	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1770	set expgui(curhist) [lindex $expgui(curhist) 0]
1771	}
1772
1773	# display the selected histograms
1774	$expgui(fracFrame).hs.lbox selection clear 0 end
1775	foreach h $expgui(curhist) {
1776	$expgui(fracFrame).hs.lbox selection set $h
1777	}
1778
1779	# disable traces on entryvar
1780	set entrycmd(trace) 0
1781
1782	# get histogram list
1783	set histlist {}
1784	foreach item $expgui(curhist) {
1785	lappend histlist [lindex $expmap(powderlist) $item]
1786	}
1787
1788	# must have at least one histogram selected here
1789	if {[llength $histlist] == 0} {
1790	foreach var {scale sref sdamp} {
1791	set entrycmd($var) ""
1792	set entryvar($var) ""
1793	}
1794	set parm [grid info $expgui(scaleBox).but1]
1795	if {$parm != ""} {
1796	grid forget $expgui(scaleBox).but1
1797	eval grid $expgui(scaleBox).ent1 $parm
1798	}
1799	# destroy the contents of the frame
1800	set phaseFractf1 $expgui(FracBox).f
1801	eval destroy [winfo children $phaseFractf1]
1802	# reenable traces on entryvar
1803	set entrycmd(trace) 1
1804	return
1805	}
1806
1807	#--------------
1808	# Scale factor
1809	#--------------
1810	if {$expgui(globalmode) != 0} {
1811	foreach var {scale sref sdamp} {
1812	set entrycmd($var) "histinfo [list $histlist] $var"
1813	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1814	}
1815	# reset scale to black
1816	catch {$entrybox(scale) config -fg black}
1817	set parm [grid info $expgui(scaleBox).ent1]
1818	if {$parm != ""} {
1819	grid forget $expgui(scaleBox).ent1
1820	eval grid $expgui(scaleBox).but1 $parm
1821	}
1822	} else {
1823	set hist $histlist
1824	foreach var {scale sref sdamp} {
1825	set entrycmd($var) "histinfo $hist $var"
1826	set entryvar($var) [eval $entrycmd($var)]
1827	}
1828	# reset scale to black
1829	catch {$entrybox(scale) config -fg black}
1830	set parm [grid info $expgui(scaleBox).but1]
1831	if {$parm != ""} {
1832	grid forget $expgui(scaleBox).but1
1833	eval grid $expgui(scaleBox).ent1 $parm
1834	}
1835	}
1836
1837	#----------------
1838	# Phase Fractions
1839	#----------------
1840	set phaseFractf1 $expgui(FracBox).f
1841	# destroy the contents of the frame
1842	eval destroy [winfo children $phaseFractf1]
1843	if {$expgui(globalmode) != 0} {
1844	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1845	} else {
1846	set txt "Phase Fractions"
1847	}
1848	if $expgui(haveBW) {
1849	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1850	} else {
1851	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1852	-column 0 -row 0 -sticky news
1853	}
1854	# Create the frame inside the canvas, One frame for each Phase.
1855	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1856	foreach hist $histlist {
1857	foreach i $expmap(phaselist_$hist) {
1858	lappend phasehistlist($i) $hist
1859	}
1860	}
1861	foreach i {1 2 3 4 5 6 7 8 9} {
1862	if {[llength $phasehistlist($i)] == 0} continue
1863	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1864	grid $framePF -column 0 -row $i -sticky ew
1865	# Label Heading for each phase.
1866	if {$expgui(globalmode) != 0} {
1867	grid [label $framePF.l1 \
1868	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1869	-column 0 -row 0 -sticky nws
1870	grid [button $framePF.but1 -text "Set Globally" \
1871	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1872	[list $phasehistlist($i)] $i" \
1873	] -column 1 -row 0
1874	} else {
1875	grid [label $framePF.l1 -text "Phase $i"] \
1876	-column 0 -row 0 -sticky nws
1877	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1878	-column 1 -row 0
1879	set entrybox(frac$i) $framePF.ent
1880	}
1881	set entrycmd(frac$i) "hapinfo $hist $i frac"
1882	set entryvar(frac$i) [hapinfo $hist $i frac]
1883	grid [label $framePF.l2 -text " Refine"] \
1884	-column 2 -row 0 -sticky nws
1885	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1886	-column 3 -row 0 -sticky nws
1887	set entrycmd(frref$i) "hapinfo $hist $i frref"
1888	set entryvar(frref$i) [hapinfo $hist $i frref]
1889	grid [label $framePF.l3 -text " Damping"] \
1890	-column 4 -row 0 -sticky nws
1891	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1892	0 1 2 3 4 5 6 7 8 9
1893	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1894	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1895	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1896	}
1897	# resize the scroll window to match the actual
1898	update idletasks
1899	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1900	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1901	update idletasks
1902	# enable traces on entryvar now
1903	set entrycmd(trace) 1
1904	}
1905
1906	#-----------------------------------------------------------------------
1907	# display the profile page
1908	#-----------------------------------------------------------------------
1909	proc DisplayProfile {} {
1910	global expgui entrycmd entryvar entrybox expmap
1911
1912	# trap if more than one histogram is selected unless global mode
1913	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1914	set expgui(curhist) [lindex $expgui(curhist) 0]
1915	}
1916	# display the selected histograms
1917	$expgui(profFrame).hs.lbox selection clear 0 end
1918	foreach h $expgui(curhist) {
1919	$expgui(profFrame).hs.lbox selection set $h
1920	}
1921
1922	# destroy the contents of the frame
1923	eval destroy [winfo children $expgui(ProfileBox).f]
1924	# since the next steps can take a while, do a screen update
1925	update idletasks
1926
1927	if {$expgui(globalmode) == 0} {
1928	# must have at least one histogram selected here
1929	if {[llength $expgui(curhist)] == 0} return
1930	# disable traces on entryvar for right now
1931	set entrycmd(trace) 0
1932	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1933	# no defined histograms?
1934	if {$hist == ""} return
1935	# Create one frame for each Phase.
1936	set ind -1
1937	set htype [string range $expmap(htype_$hist) 2 2]
1938	foreach i $expmap(phaselist_$hist) {
1939	incr ind
1940	# Label Heading for each phase.
1941	set ptype [string trim [hapinfo $hist $i proftype]]
1942	if {$expgui(haveBW)} {
1943	grid [TitleFrame $expgui(ProfileBox).f.$i \
1944	-text "Hist $hist -- Phase $i (type $ptype)" \
1945	-relief groove -bd 2] \
1946	-column 0 -row $ind -sticky ew
1947	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1948	grid [frame $ProfileFrame.1] \
1949	-column 0 -row 0 -columnspan 10
1950	pack [label $ProfileFrame.1.l \
1951	-text Damping]\
1952	-side left
1953	} else {
1954	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1955	-column 0 -row $ind -sticky ew
1956	set ProfileFrame $expgui(ProfileBox).f.$i
1957	grid [frame $ProfileFrame.1] \
1958	-column 0 -row 0 -columnspan 10 -sticky ew
1959	pack [label $ProfileFrame.1.l \
1960	-text "Phase $i (type $ptype) Damping"]\
1961	-side left
1962	}
1963	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1964	0 1 2 3 4 5 6 7 8 9
1965	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1966	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1967	pack $ProfileFrame.1.tkOptDamp -side left
1968	pack [label $ProfileFrame.1.l1 \
1969	-text " Peak cutoff"]\
1970	-side left
1971	pack [entry $ProfileFrame.1.e1 \
1972	-width 10 -textvariable entryvar(pcut_$i)]\
1973	-side left
1974	set entrybox(pcut_$i) $ProfileFrame.1.e1
1975	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1976	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1977
1978	pack [button $ProfileFrame.1.b1 \
1979	-text "Change Type" \
1980	-command "ChangeProfileType $hist $i"]\
1981	-side left
1982
1983	set col -1
1984	set row 1
1985	set nterms [hapinfo $hist $i profterms]
1986	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1987	for { set num 1 } { $num <= $nterms } { incr num } {
1988	set term {}
1989	catch {set term [lindex $lbls $num]}
1990	if {$term == ""} {set term $num}
1991	incr col
1992	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1993	-row $row -column $col
1994	incr col
1995	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1996	-variable entryvar(pref${num}_$i)] -row $row -column $col
1997	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1998	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1999	incr col
2000	grid [entry $ProfileFrame.ent${num}_${i} \
2001	-textvariable entryvar(pterm${num}_$i)\
2002	-width 12] -row $row -column $col
2003	set entrybox(pterm${num}_$i) $ProfileFrame.ent${num}_${i}
2004	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
2005	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
2006	if {$col > 6} {set col -1; incr row}
2007	}
2008	}
2009	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2010	} else {
2011	# get histogram list
2012	set histlist {}
2013	foreach item $expgui(curhist) {
2014	lappend histlist [lindex $expmap(powderlist) $item]
2015	}
2016	# must have at least one histogram selected here
2017	if {[llength $histlist] == 0} return
2018	# disable traces on entryvar for right now
2019	set entrycmd(trace) 0
2020	# loop through histograms & phases, set up an array by phase & profile type
2021	catch {unset prtyparray histarray phasearray}
2022	foreach hist $histlist {
2023	foreach phase $expmap(phaselist_$hist) {
2024	set prtyp [string trim [hapinfo $hist $phase proftype]]
2025	set key ${prtyp}_$phase
2026	lappend prtyparray($key) $hist
2027	lappend histarray($key) $hist
2028	lappend phasearray($key) $phase
2029	}
2030	}
2031
2032	set ptype ""
2033	set i -1
2034	# loop over all combined phases and profile types, sorted 1st by profile number
2035	foreach key [lsort [array names prtyparray]] {
2036	# split key
2037	scan $key %d_%d prftyp p
2038
2039	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
2040	set ptype $prftyp
2041	set curhistlist $histarray($key)
2042	set curphaslist $phasearray($key)
2043
2044	set hist1 [lindex $curhistlist 0]
2045	set phase1 [lindex $curphaslist 0]
2046	set nterms [hapinfo $hist1 $phase1 profterms]
2047	set htype [string range $expmap(htype_$hist1) 2 2]
2048	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
2049	# Create a frame for this type
2050	incr i
2051	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
2052	if {$expgui(haveBW)} {
2053	grid [TitleFrame $expgui(ProfileBox).f.$i \
2054	-text "(type $ptype)" \
2055	-relief groove -bd 2] \
2056	-column 0 -row $i -sticky ew
2057	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
2058	grid [frame $ProfileFrame.0] \
2059	-column 0 -row 0 -columnspan 20 -sticky ew
2060	} else {
2061	grid [frame $expgui(ProfileBox).f.$i \
2062	-relief groove -bd 4] \
2063	-column 0 -row $i -sticky ew
2064	set ProfileFrame $expgui(ProfileBox).f.$i
2065	grid [frame $ProfileFrame.0] \
2066	-column 0 -row 0 -columnspan 20 -sticky ew
2067	grid [label $ProfileFrame.0.0 \
2068	-text "Profile Type $ptype "] -row 0 -column 0
2069	}
2070	grid [label $ProfileFrame.0.1 \
2071	-anchor w] -row 0 -column 1
2072	grid [frame $ProfileFrame.1] \
2073	-column 0 -row 1 -columnspan 20 -sticky ew
2074	grid [label $ProfileFrame.1.2 \
2075	-text "Damping"] -row 0 -column 2
2076	tk_optionMenu $ProfileFrame.1.tkOptDamp \
2077	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
2078	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
2079	grid [button $ProfileFrame.1.edit \
2080	-text "Global Edit"] -row 0 -column 4 -sticky w
2081	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
2082	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
2083	-row 0 -column 5 -sticky w
2084	set col -1
2085	set row 2
2086	for { set num 1 } { $num <= $nterms } { incr num } {
2087	set term {}
2088	catch {set term [lindex $lbls $num]}
2089	if {$term == ""} {set term $num}
2090	incr col
2091	grid [label $ProfileFrame.l${num}_${i} \
2092	-text "$term"] -row $row -column $col
2093	incr col
2094	grid [checkbutton $ProfileFrame.ref${num}_${i} \
2095	-variable entryvar(pref${num}_$i)] \
2096	-row $row -column $col
2097	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2098	if {$col > 10} {set col -1; incr row}
2099	}
2100	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2101	} else {
2102	# add to the current entry
2103	eval lappend curhistlist $histarray($key)
2104	eval lappend curphaslist $phasearray($key)
2105	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2106	}
2107	$ProfileFrame.0.1 config -text $boxtitle
2108	$ProfileFrame.1.edit config -command "\
2109	EditProfile \"\n$boxtitle\" \
2110	[list $curhistlist] \
2111	[list $curphaslist]"
2112	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2113	[list $curhistlist] [list $curphaslist]"
2114	set entrycmd(pdamp_$i) "hapinfo \
2115	[list $curhistlist] \
2116	[list $curphaslist] pdamp"
2117	for { set num 1 } { $num <= $nterms } { incr num } {
2118	set entrycmd(pref${num}_$i) "hapinfo \
2119	[list $curhistlist] \
2120	[list $curphaslist] pref$num"
2121	}
2122	}
2123	}
2124
2125	# resize the scroll window to match the actual
2126	update idletasks
2127	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2128	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2129	update idletasks
2130	ResizeNotebook
2131	# enable traces on entryvar now
2132	set entrycmd(trace) 1
2133	}
2134
2135	# process the bit settings in the print options
2136	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2137	proc printsetting {bitnum "action get" "value {}"} {
2138	global entryvar expgui
2139	if {$action == "get"} {
2140	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2141	} elseif $value {
2142	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2143	} else {
2144	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2145	}
2146	expinfo print set $newval
2147	set expgui(printopt) "Print Options ([expinfo print])"
2148	}
2149
2150	# need to respond to mouse presses -- control variable associated with extract Fobs
2151	# and set the LeBail extraction flags
2152	proc SetupExtractHist {} {
2153	global expgui entrycmd entryvar expmap
2154
2155	# display the selected histograms
2156	$expgui(lsFrame).hs.lbox selection clear 0 end
2157	foreach h $expgui(curhist) {
2158	$expgui(lsFrame).hs.lbox selection set $h
2159	}
2160
2161	# get histogram list
2162	set histlist {}
2163	foreach item $expgui(curhist) {
2164	set hist [lindex $expmap(powderlist) $item]
2165	if {$hist != ""} {lappend histlist $hist}
2166	}
2167	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2168	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2169	set entrycmd(LBdamp) ""
2170	foreach phase {1 2 3 4 5 6 7 8 9} {
2171	$expgui(FobsExtractFrame).l$phase config -fg grey
2172	set expgui(Fextract$phase) {}
2173	foreach item $expgui(ExtractSettingsRadiobuttons) {
2174	${item}$phase config -state disabled -bd 1
2175	}
2176	}
2177	} elseif {[llength $histlist] == 1} {
2178	# disable traces on entryvar
2179	set entrycmd(trace) 0
2180	set entryvar(fobsextract) [histinfo $histlist foextract]
2181	set entrycmd(LBdamp) "histinfo $histlist LBdamp"
2182	set entryvar(LBdamp) [histinfo $histlist LBdamp]
2183	foreach phase {1 2 3 4 5 6 7 8 9} {
2184	# is the phase present?
2185	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2186	$expgui(FobsExtractFrame).l$phase config -fg grey
2187	set expgui(Fextract$phase) {}
2188	foreach item $expgui(ExtractSettingsRadiobuttons) {
2189	${item}$phase config -state disabled -bd 1
2190	}
2191	} else {
2192	$expgui(FobsExtractFrame).l$phase config -fg black
2193	foreach item $expgui(ExtractSettingsRadiobuttons) {
2194	${item}$phase config -state normal -bd 2
2195	}
2196	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2197	}
2198	}
2199	} elseif {[llength $histlist] > 1} {
2200	# disable traces on entryvar
2201	set entrycmd(LBdamp) "histinfo [list $histlist] LBdamp"
2202	set entryvar(LBdamp) [histinfo [lindex $histlist 0] LBdamp]
2203	set entrycmd(trace) 0
2204	# multiple histograms need phases in any histogram
2205	foreach phase {1 2 3 4 5 6 7 8 9} {
2206	set gotphase($phase) 0
2207	}
2208	foreach hist $histlist {
2209	foreach phase $expmap(phaselist_$hist) {
2210	set gotphase($phase) 1
2211	}
2212	}
2213	foreach phase {1 2 3 4 5 6 7 8 9} {
2214	set expgui(Fextract$phase) {}
2215	if $gotphase($phase) {
2216	$expgui(FobsExtractFrame).l$phase config -fg black
2217	foreach item $expgui(ExtractSettingsRadiobuttons) {
2218	${item}$phase config -state normal -bd 2
2219	}
2220	} else {
2221	$expgui(FobsExtractFrame).l$phase config -fg grey
2222	foreach item $expgui(ExtractSettingsRadiobuttons) {
2223	${item}$phase config -state disabled -bd 1
2224	}
2225	}
2226	}
2227	}
2228	# reenable traces
2229	set entrycmd(trace) 1
2230	}
2231	# respond to a change in the fobs extraction method for a phase
2232	# force the main extraction flag on, if fobs extraction is selected for any phase
2233	proc HistExtractSet {phase} {
2234	global expgui entryvar expmap
2235	foreach item $expgui(curhist) {
2236	lappend histlist [lindex $expmap(powderlist) $item]
2237	}
2238	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2239	incr expgui(changed)
2240	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2241	}
2242	#---------------------------- Global Edit Functions ------------------------
2243	proc editbackground {} {
2244	global expgui expmap entrycmd
2245	set histlist {}
2246	foreach n $expgui(curhist) {
2247	lappend histlist [lindex $expmap(powderlist) $n]
2248	}
2249	if {[llength $histlist] == 0} return
2250
2251	set w .back
2252	catch {destroy $w}
2253	toplevel $w -bg beige
2254	if {$expgui(globalmode) != 0} {
2255	wm title $w "Global Edit Background"
2256	} else {
2257	wm title $w "Edit Background"
2258	}
2259
2260	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2261	] -side top -expand yes -fill both
2262	if {[llength $histlist] > 1} {
2263	grid [label $w.0.a \
2264	-text "Setting background terms for histograms [CompressList $histlist]" \
2265	-bg beige] -row 0 -column 0 -columnspan 10
2266	} else {
2267	grid [label $w.0.a \
2268	-text "Setting background terms for histogram $histlist" \
2269	-bg beige] -row 0 -column 0 -columnspan 4
2270	grid [button $w.0.bkg -text "Fit Background\nGraphically" \
2271	-command "QuitEditBackground $w; bkgedit $histlist"] \
2272	-row 0 -column 4 -rowspan 2
2273	grid columnconfig $w.0 0 -weight 1
2274	grid columnconfig $w.0 4 -weight 1
2275	}
2276	set hist [lindex $histlist 0]
2277	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0 -sticky e
2278
2279	# disable traces on expgui(backtype) & expgui(backterms) now
2280	set entrycmd(trace) 0
2281
2282	# number of terms
2283	set expgui(backtype) [histinfo $hist backtype]
2284	set expgui(orig_backtype) $expgui(backtype)
2285	set expgui(prev_backtype) $expgui(backtype)
2286	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2287	$typemenu delete 0 end
2288	foreach item {
2289	"1 - Shifted Chebyschev"
2290	"2 - Cosine Fourier series"
2291	"3 - Radial distribution peaks"
2292	"4 - Power series in Q**2n/n!"
2293	"5 - Power series in n!/Q**2n"
2294	"6 - Power series in Q2n/n! and n!/Q2n"
2295	"7 - Linear interpolation function"
2296	"8 - Reciprocal interpolation function"
2297	} {
2298	set val [lindex $item 0]
2299	$typemenu insert end radiobutton -variable expgui(backtype) \
2300	-label $item -value $val
2301	}
2302
2303	grid $w.0.type -row 1 -column 1
2304	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2305
2306	# function type
2307	set expgui(backterms) [histinfo $hist backterms]
2308	set expgui(orig_backterms) $expgui(backterms)
2309	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2310	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2311	grid $w.0.terms -row 1 -column 3
2312	# enable traces on expgui(backtype) & expgui(backterms) now
2313	set entrycmd(trace) 1
2314
2315	#set background terms
2316	for {set num 1 } { $num <= 36 } { incr num } {
2317	set var "bterm$num"
2318	set expgui($var) {}
2319	set expgui(orig_$var) {}
2320	}
2321	if {[llength $histlist] == 1} {
2322	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2323	set var "bterm$num"
2324	set expgui($var) [histinfo $histlist $var]
2325	set expgui(orig_$var) $expgui($var)
2326	}
2327	}
2328
2329	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2330	-expand yes -fill both
2331	ShowBackTerms $w.1
2332
2333	set expgui(temp) {}
2334	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2335	grid [button $w.b.2 -text Set -command "destroy $w"] -row 0 -column 1
2336	grid [button $w.b.3 -text Quit \
2337	-command "QuitEditBackground $w"] -row 0 -column 2
2338	grid [button $w.b.help -text Help -bg yellow \
2339	-command "MakeWWWHelp expgui3.html EditBackground"] \
2340	-row 0 -column 4
2341	grid columnconfig $w.b 0 -weight 1
2342	grid columnconfig $w.b 3 -weight 1
2343	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditBackground"
2344	bind $w <Return> "destroy $w"
2345
2346	# force the window to stay on top
2347	putontop $w
2348
2349	focus $w.b.2
2350	tkwait window $w
2351	afterputontop
2352
2353	if {$expgui(temp) != ""} return
2354
2355	if {$expgui(orig_backtype) != $expgui(backtype)} {
2356	histinfo $histlist backtype set $expgui(backtype)
2357	incr expgui(changed)
2358	}
2359	if {$expgui(orig_backterms) != $expgui(backterms)} {
2360	histinfo $histlist backterms set $expgui(backterms)
2361	incr expgui(changed)
2362	}
2363	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2364	set var "bterm$num"
2365	if {$expgui(orig_$var) != $expgui($var)} {
2366	histinfo $histlist $var set $expgui($var)
2367	incr expgui(changed)
2368	}
2369	}
2370
2371	if {$expgui(globalmode) == 0} {
2372	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2373	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2374	}
2375	}
2376
2377	trace variable expgui(backterms) w ChangeBackTerms
2378	proc ChangeBackTerms {a b c} {
2379	global entrycmd expgui
2380	if !$entrycmd(trace) return
2381	ShowBackTerms .back.1
2382	}
2383
2384	trace variable expgui(backtype) w ChangeBackType
2385	# reset the terms to 1, 0, 0... when the number of terms increase
2386	proc ChangeBackType {a b c} {
2387	global entrycmd expgui
2388	if !$entrycmd(trace) return
2389	if {$expgui(prev_backtype) == $expgui(backtype)} return
2390	set expgui(prev_backtype) $expgui(backtype)
2391	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2392	set var "bterm$num"
2393	if {$num == 1} {
2394	set expgui($var) 1.0
2395	} else {
2396	set expgui($var) 0.0
2397	}
2398	}
2399	}
2400
2401	proc ShowBackTerms {w } {
2402	global expgui expmap
2403	# destroy the contents of the frame
2404	eval destroy [winfo children $w]
2405	set histlist {}
2406	foreach n $expgui(curhist) {
2407	lappend histlist [lindex $expmap(powderlist) $n]
2408	}
2409	set widgetsPerRow 4
2410	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2411	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2412	set var "bterm$num"
2413	grid [label $w.l$num -text $num -bg beige] \
2414	-row $rows -column $cols -sticky nes
2415	incr cols
2416	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2417	] -row $rows -column $cols -sticky news
2418	incr cols
2419	}
2420	}
2421	}
2422
2423	proc QuitEditBackground {w} {
2424	global expgui
2425	# lets find out if anything changed
2426	set changed 0
2427	if {$expgui(orig_backtype) != $expgui(backtype)} {
2428	set changed 1
2429	}
2430	if {$expgui(orig_backterms) != $expgui(backterms)} {
2431	set changed 1
2432	}
2433	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2434	set var "bterm$num"
2435	if {$expgui(orig_$var) != $expgui($var)} {
2436	set changed 1
2437	break
2438	}
2439	}
2440	if $changed {
2441	set decision [tk_dialog .changes "Abandon Changes" \
2442	"You have made changes to the background. Ok to abandon changes?" \
2443	warning 0 Abandon Keep]
2444	if !$decision {
2445	set expgui(temp) "Quit"
2446	destroy $w
2447	}
2448	} else {
2449	set expgui(temp) "Quit"
2450	destroy $w
2451	}
2452	}
2453
2454	# this probably needs work
2455	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2456	global expgui expmap
2457	set w .global
2458	catch {destroy $w}
2459	toplevel $w -bg beige
2460	wm title $w "Edit Global Parameter"
2461	set expgui(temp) {}
2462	if {[llength $histlist] == 0} {
2463	set hist {}
2464	foreach n $expgui(curhist) {
2465	lappend hist [lindex $expmap(powderlist) $n]
2466	}
2467	} else {
2468	set hist $histlist
2469	}
2470	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2471	-side top -expand yes -fill both
2472	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2473	-bg beige] \
2474	-row 0 -column 0 -columnspan 10
2475	grid [entry $w.0.b -textvariable expgui(temp)] \
2476	-row 1 -column 0
2477
2478
2479	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2480	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2481	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2482	pack [button $w.b.help -text Help -bg yellow \
2483	-command "MakeWWWHelp expgui3.html EditParm"] -side right
2484	bind $w <Key-F1> "MakeWWWHelp expgui3.html EditParm"
2485	bind $w <Return> "destroy $w"
2486
2487	# force the window to stay on top
2488	putontop $w
2489	focus $w.b.2
2490	tkwait window $w
2491	afterputontop
2492
2493	if {$expgui(temp) != ""} {
2494	foreach h $hist {
2495	if {$cmd == "histinfo"} {
2496	histinfo $h $variable set $expgui(temp)
2497	incr expgui(changed)
2498	if $expgui(debug) {
2499	puts "histinfo $h $variable set $expgui(temp)"
2500	}
2501	} elseif {$cmd == "hapinfo"} {
2502	hapinfo $h $phase $variable set $expgui(temp)
2503	incr expgui(changed)
2504	if $expgui(debug) {
2505	puts "hapinfo $phase $h $variable set $expgui(temp)"
2506	}
2507	} else {
2508	error "$cmd unimplemented"
2509	}
2510	}
2511	}
2512	}
2513
2514	proc EditProfile {title histlist phaselist} {
2515	global expgui expmap entrycmd
2516	set w .back
2517	catch {destroy $w}
2518	toplevel $w -bg beige
2519	wm title $w "Global Edit Profile"
2520	set hist [lindex $histlist 0]
2521	set phase [lindex $phaselist 0]
2522	set ptype [string trim [hapinfo $hist $phase proftype]]
2523	set htype [string range $expmap(htype_$hist) 2 2]
2524	set nterms [hapinfo $hist $phase profterms]
2525
2526	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2527	] -side top -expand yes -fill both
2528	grid [label $w.0.a \
2529	-text "Setting profile terms: $title" \
2530	-bg beige] -row 0 -column 0 -columnspan 10
2531	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2532	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2533	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2534	set entrylist {}
2535	lappend entrylist "pcut $w.0.d"
2536
2537	set col -1
2538	set row 1
2539	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2540	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2541	] -side top -expand yes -fill both
2542	for { set num 1 } { $num <= $nterms } { incr num } {
2543	set term {}
2544	catch {set term [lindex $lbls $num]}
2545	if {$term == ""} {set term $num}
2546	incr col
2547	grid [label $w.1.l${num} -text "$term" -bg beige] \
2548	-row $row -column $col
2549	incr col
2550	grid [entry $w.1.ent${num} \
2551	-width 14] -row $row -column $col
2552	lappend entrylist "pterm$num $w.1.ent${num}"
2553	if {$col > 6} {set col -1; incr row}
2554	}
2555	pack [frame $w.b -bg beige] -fill x -expand yes -side top
2556	grid [button $w.b.2 -text Set \
2557	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2558	[list $histlist] $w"] -row 0 -column 1
2559	grid [button $w.b.3 -text Quit \
2560	-command "QuitEditProfile $w [list $entrylist]"] -row 0 -column 2
2561	grid [button $w.b.help -text Help -bg yellow \
2562	-command "MakeWWWHelp expgui5.html GlobalEdit"] \
2563	-row 0 -column 4
2564	grid columnconfig $w.b 0 -weight 1
2565	grid columnconfig $w.b 3 -weight 1
2566	bind $w <Key-F1> "MakeWWWHelp expgui5.html GlobalEdit"
2567	bind $w <Return> "QuitEditProfile $w [list $entrylist]"
2568
2569	# force the window to stay on top
2570	putontop $w
2571	focus $w.b.2
2572	tkwait window $w
2573	afterputontop
2574	}
2575
2576	proc SetEditProfile {entrylist phaselist histlist w} {
2577	global expgui
2578	foreach item $entrylist {
2579	set value [ [lindex $item 1] get ]
2580	if {$value != ""} {
2581	hapinfo $histlist $phaselist [lindex $item 0] set $value
2582	incr expgui(changed)
2583	if $expgui(debug) {
2584	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2585	}
2586	}
2587	}
2588	destroy $w
2589	}
2590
2591	proc QuitEditProfile {w entrylist} {
2592	global expgui
2593	# lets find out if anything changed
2594	set changed 0
2595	foreach item $entrylist {
2596	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2597	}
2598	if $changed {
2599	set decision [tk_dialog .changes "Abandon Changes" \
2600	"You have made changes to the Profile. Ok to abandon changes?" \
2601	warning 0 Abandon Keep]
2602	if !$decision {destroy $w}
2603	} else {
2604	destroy $w
2605	}
2606	}
2607
2608	##############################################################################
2609	## #############################################
2610	## END OF THE PROCEDURES SECTION #############################################
2611	## #############################################
2612	##############################################################################
2613
2614	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2615	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2616	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2617	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2618	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2619	# A frame for menu items at top of display
2620	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2621	# Pack the menu frame.
2622	pack $expgui(fm) -fill x -side top -anchor n
2623
2624	# create a button bar
2625	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2626
2627	# Creating the notebook and panes
2628
2629	# create an array element describing each notebook page (used with BW only)
2630	# element 0 -- pane name
2631	# 1 -- Label on frame
2632	# 2 -- initialization command
2633	# 3 -- update command
2634	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2635	# are selected in global mode, 0 otherwise
2636	# 5 -- Web page for pane
2637	# 6 -- name anchor on Web page for pane
2638	set expgui(notebookpagelist) {
2639	{lsFrame "LS Controls" \
2640	"" \
2641	SetupExtractHist \
2642	0 expgui1.html ""}
2643	{phaseFrame Phase \
2644	"" \
2645	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2646	0 expgui2.html ""}
2647	{histFrame Histogram \
2648	MakeHistPane \
2649	DisplayHistogram \
2650	1 expgui3.html ""}
2651	{fracFrame Scaling \
2652	MakeScalingPane \
2653	DisplayFrac \
2654	0 expgui4.html ""}
2655	{profFrame Profile \
2656	MakeProfilePane \
2657	DisplayProfile \
2658	1 expgui5.html ""}
2659	{consFrame Constraints \
2660	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2661	DisplayConstraintsPane \
2662	0 expgui6.html ""}
2663	{orientFrame "MD Pref Orient" \
2664	MakeOrientPane \
2665	DisplayOrient \
2666	0 expgui7.html MD}
2667	{odfFrame "SH Pref Orient" \
2668	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2669	DisplayODFPane \
2670	0 expgui7.html ODF}
2671	}
2672
2673	if $expgui(haveBW) {
2674	pack [NoteBook .n -bd 2] -expand yes -fill both
2675	# this should not be needed, but for some reason NoteBook is not
2676	# using the optionDB
2677	catch {.n configure -font [option get .n font Canvas]}
2678	foreach item $expgui(notebookpagelist) {
2679	set frm [lindex $item 0]
2680	set expgui($frm) [\
2681	.n insert end $frm -text [lindex $item 1] \
2682	-createcmd [lindex $item 2] \
2683	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2684
2685	# at this time expgui(frameactionlist) is generated
2686	# from expgui(notebookpagelist), but in the future it might
2687	# make sense to use expgui(notebookpagelist) directly
2688	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2689
2690	# panes to disable in global "all" mode
2691	if {[lindex $item 4]} {
2692	lappend expgui(GlobalModeAllDisable) \
2693	"$frm \{.n itemconfigure $frm\}"
2694	}
2695	}
2696	} else {
2697	Notebook:create .n \
2698	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2699	pack .n -anchor w -fill both -expand yes
2700	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2701	orientFrame} \
2702	page {"LS Controls" Phase Histogram Scaling Profile \
2703	"MD Pref Orient"} {
2704	set expgui($item) [Notebook:frame .n $item]
2705	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2706	}
2707	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2708	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2709	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2710	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2711	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2712	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2713	set expgui(GlobalModeAllDisable) {}
2714	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2715	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2716	}
2717
2718	# this is used to bring up the selected frame
2719	proc RaisePage {nextpage} {
2720	global expgui
2721	if $expgui(haveBW) {
2722	.n see $nextpage
2723	.n raise $nextpage
2724	set expgui(pagenow) $nextpage
2725	} else {
2726	Notebook:raise .n $nextpage
2727	InitPage $nextpage
2728	}
2729	}
2730	# this is only called when BWidget is not in use
2731	proc InitPage {nextpage} {
2732	global expgui
2733	set expgui(pagenow) $nextpage
2734	UpdateCurrentPage
2735	}
2736	# resize the notebook to fit all the tabs and the largest page
2737	proc ResizeNotebook {} {
2738	global expgui
2739	if {$expgui(haveBW)} {
2740	.n compute_size
2741	} else {
2742	Notebook:resize .n
2743	}
2744	}
2745
2746	#----------------------------------------------------------------------------
2747	proc MakePhasePane {} {
2748	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2749	global expgui entryvar entrybox entrycmd
2750	frame $expgui(phaseFrame).top
2751	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2752	# This is a big frame in the Phase notebook pane to hold atomic data.
2753	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2754	-relief raised -borderwidth 4 -class Coord]
2755	# This is a frame just below the big frame: for edits
2756	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2757	-relief raised -borderwidth 4 -bg $expgui(bkgcolor1)]
2758
2759	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2760	grid $frameLatt -sticky news -row 2 -column 0
2761	grid $fbig -sticky news -row 3 -column 0
2762	# give extra space to the atoms box
2763	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2764	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2765	grid $frame3 -sticky news -row 4 -column 0
2766	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2767	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2768	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2769	# this is where the buttons will go
2770	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2771
2772	grid [label $expgui(phaseFrame).top.lA -text title: \
2773	-fg blue ] -column 1 -row 0 -sticky e
2774	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2775	-fg blue -width 45] -column 2 -row 0 -sticky e
2776	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2777	# ------------- Lattice Parameter Box ------------------
2778	set row 0
2779	foreach col {2 4 6} var {a b c} lbl {a b c} {
2780	grid [label $frameLatt.l$var -text $lbl] \
2781	-column $col -row $row -padx 5 -sticky e
2782	incr col
2783	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2784	-column $col -row $row -padx 5
2785	set entrybox($var) $frameLatt.e$var
2786	}
2787	incr row
2788	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2789	grid [label $frameLatt.l$var -text $lbl] \
2790	-column $col -row $row -padx 5 -sticky e
2791	set font [$frameLatt.l$var cget -font]
2792	$frameLatt.l$var config -font "Symbol [lrange $font 1 end]"
2793
2794	incr col
2795	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2796	-column $col -row $row -padx 5
2797	set entrybox($var) $frameLatt.e$var
2798	}
2799
2800	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2801	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2802	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2803	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2804	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2805	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2806	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2807	-column 1 -row 0 -rowspan 2
2808	if [file executable $expgui(exptool)] {
2809	grid [button $expgui(phaseFrame).frameLatt.newp \
2810	-text "Add\nPhase" -padx 1.5m -command MakeAddPhaseBox \
2811	] -column 0 -row 0 -rowspan 2 -sticky w
2812	}
2813	grid columnconfig $frameLatt 1 -weight 1
2814	grid columnconfig $frameLatt 0 -weight 1
2815	#-------------- Begin Atom Coordinates Box ------------------------------
2816	grid [listbox $fbig.title -height 1 -relief flat \
2817	-exportselection 0 -bg lightgrey -fg black \
2818	-selectforeground black -selectbackground lightgrey] \
2819	-row 0 -column 0 -sticky ew
2820	set expgui(atomtitle) $fbig.title
2821	bind $expgui(atomtitle) <Button-1> {
2822	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2823	incr i
2824	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2825	DisplayAllAtoms
2826	}
2827	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2828
2829	$expgui(atomtitle) configure -selectmode extended
2830	grid [listbox $fbig.lbox -height 10 \
2831	-exportselection 0 \
2832	-xscrollcommand " $fbig.bscr set"\
2833	-yscrollcommand " $fbig.rscr set"\
2834	] -row 1 -column 0 -sticky news
2835	set expgui(atomlistbox) $fbig.lbox
2836	$expgui(atomlistbox) configure -selectmode extended
2837	grid [scrollbar $fbig.bscr -orient horizontal \
2838	-command "move2boxesX \" $fbig.title $fbig.lbox \" " \
2839	] -row 2 -column 0 -sticky ew
2840	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2841	] -row 1 -column 1 -sticky ns
2842	# give extra space to the atoms box
2843	grid columnconfigure $fbig 0 -weight 1
2844	grid rowconfigure $fbig 1 -weight 1
2845
2846	# BIND mouse in editbox
2847	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2848	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2849
2850	#-------------- End Atoms Section ---------------------------------
2851
2852	# --------------------------- Begin Edit Box ------------------------
2853	grid [set expgui(EditingAtoms) [label $frame3.top -bg $expgui(bkgcolor1) -fg blue]] \
2854	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2855	if [file executable $expgui(exptool)] {
2856	button $frame3.newa -text "Add New Atoms" \
2857	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2858	-command {MakeAddAtomsBox $expgui(curPhase)}
2859	grid $frame3.newa -column 11 -row 0
2860	}
2861	button [set expgui(atomxform) $frame3.xa] \
2862	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2863	-command {MakeXformAtomsBox $expgui(curPhase)}
2864	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2865
2866	set f3l1 [label $frame3.l1 -text "Refinement Flags:" -bg $expgui(bkgcolor1)]
2867	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2868	foreach lbl {X U F} var {xref uref fref} col {1 2 3} {
2869	grid [checkbutton $frame3.cf$col \
2870	-text $lbl -variable entryvar($var) \
2871	-bg $expgui(bkgcolor1) -highlightthickness 0 \
2872	-activebackground $expgui(bkgcolor1)] \
2873	-column $col -row 1 -padx 4 -pady 3 -sticky w
2874	}
2875	set f3l4 [label $frame3.l4 -text " Damping:" -bg $expgui(bkgcolor1)]
2876	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2877
2878	set col 4
2879	foreach var {xdamp udamp fdamp} num {2 3 4} lbl {X U F} {
2880	grid [label $frame3.lom$num -text $lbl \
2881	-bg $expgui(bkgcolor1)] \
2882	-column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2883	tk_optionMenu $frame3.om$num entryvar($var) 0 1 2 3 4 5 6 7 8 9
2884	$frame3.om$num config -highlightthickness 0
2885	grid $frame3.om$num -column [incr col] -row 1 -padx 2 -pady 3 -sticky w
2886	}
2887	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2888	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2889
2890	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2891	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2892
2893	set f3l1 [label $frame3.coords.l1 -text "Label" -bg $expgui(bkgcolor1)]
2894	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2895	set expgui(atomlabels) $f3l1
2896
2897	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2898	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2899	set expgui(atomentry) $f3e1
2900
2901	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg $expgui(bkgcolor1)]
2902	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2903	lappend expgui(atomlabels) $f3l8
2904	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg $expgui(bkgcolor1)]
2905	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2906	lappend expgui(atomlabels) $f3l11
2907
2908	foreach var {x y z frac} col {3 4 5 7} {
2909	set entrybox($var) [entry $frame3.coords.e$var \
2910	-textvariable entryvar($var) -width 10]
2911	grid $entrybox($var) -column $col -row 4 -padx 2 -sticky nsw -pady 3
2912	lappend expgui(atomentry) $entrybox($var)
2913	}
2914
2915
2916	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg $expgui(bkgcolor1)]
2917	grid $f3f31 -column 0 -row 7 -columnspan 12
2918	set expgui(anisolabels) {}
2919	foreach lbl {13 14 15 16 17 18} txt {Uiso U22 U33 U12 U13 U23} {
2920	lappend expgui(anisolabels) [\
2921	label $f3f31.l$lbl -text $txt -bg $expgui(bkgcolor1)
2922	]
2923	}
2924	set expgui(anisoentry) {}
2925	foreach i {e13 e14 e15 e16 e17 e18} var {U11 U22 U33 U12 U13 U23} {
2926	lappend expgui(anisoentry) [\
2927	entry $f3f31.$i -textvariable entryvar($var) \
2928	-width 10]
2929	set entrybox($var) $f3f31.$i
2930	}
2931
2932	set col 0
2933	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2934	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2935	incr col
2936	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2937	incr col
2938	}
2939	# --------------------------- End Edit Box -------------------------
2940
2941	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2942	# resize in case the pane needs more space
2943	ResizeNotebook
2944	}
2945
2946	#-----------------------------------------------------------------------------
2947	proc MakeHistPane {} {
2948	#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
2949	global expgui
2950
2951	grid columnconfigure $expgui(histFrame) 0 -weight 1
2952	grid rowconfigure $expgui(histFrame) 1 -weight 1
2953	grid rowconfigure $expgui(histFrame) 2 -weight 1
2954	grid rowconfigure $expgui(histFrame) 3 -weight 1
2955
2956	grid [frame $expgui(histFrame).hs -class HistList] \
2957	-column 0 -row 0 -rowspan 10 -sticky nsew
2958	MakeHistBox $expgui(histFrame).hs
2959	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2960	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2961	DisplayHistogram
2962	}
2963	bind $expgui(histFrame).hs.lbox <Button-3> {
2964	if $expgui(globalmode) {
2965	$expgui(histFrame).hs.lbox selection set 0 end
2966	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2967	DisplayHistogram
2968	}
2969	}
2970
2971	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2972	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2973	if $expgui(haveBW) {
2974	foreach item {backBox diffBox} num {2 3} \
2975	title {Background "Diffractometer Constants"} {
2976	TitleFrame $expgui(histFrame).$item \
2977	-borderwidth 4 -side left -relief groove -text $title
2978	set expgui($item) [$expgui(histFrame).$item getframe]
2979	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2980	grid rowconfigure $expgui(histFrame) $num -minsize 100
2981	}
2982	} else {
2983	foreach item {backBox diffBox} num {1 2} \
2984	title {Background "Diffractometer Constants"} {
2985	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2986	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2987	set expgui($item) $expgui(histFrame).$item
2988	grid [label $expgui(histFrame).$item.title -text $title] \
2989	-row 0 -column 0 -columnspan 10 -sticky nw
2990	}
2991	}
2992	grid [frame $expgui(histFrame).bb] -column 1 -row 6
2993	if [file executable $expgui(exptool)] {
2994	button $expgui(histFrame).bb.newh -text "Add New\nHistogram" \
2995	-command MakeAddHistBox
2996	grid $expgui(histFrame).bb.newh -column 0 -row 1
2997	}
2998	if [file exists [file join $expgui(scriptdir) excledt]] {
2999	button $expgui(histFrame).bb.excl \
3000	-text "Set Data Limits &\nExcluded Regions" -command excledit
3001	grid $expgui(histFrame).bb.excl -column 1 -row 1
3002	}
3003	button $expgui(histFrame).bb.use -text "Set Histogram\nUse Flags" \
3004	-command SetHistUseFlags
3005	grid $expgui(histFrame).bb.use -column 2 -row 1
3006
3007	# BACKGROUND information.
3008	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
3009	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
3010	grid [label $expgui(backBox).frm1.lBGType \
3011	-textvariable expgui(backtypelbl)] \
3012	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3013	grid [label $expgui(backBox).frm1.lBGTerms \
3014	-textvariable expgui(backtermlbl)] \
3015	-row 1 -column 1 -sticky nws -padx 2 -pady 3
3016	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
3017	-command editbackground] \
3018	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
3019	grid [frame $expgui(backBox).frm2 ] \
3020	-row 1 -column 0 -columnspan 11 -sticky e
3021	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
3022	-row 2 -column 1 -sticky news -padx 4 -pady 3
3023	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
3024	-variable entryvar(bref) ] \
3025	-row 2 -column 2 -sticky news -padx 4 -pady 3
3026	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
3027	-row 2 -column 3 -sticky w -padx 2 -pady 3
3028	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
3029	grid $expgui(backBox).frm2.om \
3030	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
3031	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3032	# insert the histograms & resize in case the pane needs more space
3033	sethistlist
3034	ResizeNotebook
3035	}
3036	###############################################################################
3037	proc MakeScalingPane {} {
3038	#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
3039	global expgui entryvar entrybox
3040
3041	pack [frame $expgui(fracFrame).hs -class HistList] \
3042	-side left -expand y -fill both
3043	MakeHistBox $expgui(fracFrame).hs
3044	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
3045	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3046	DisplayFrac
3047	}
3048	bind $expgui(fracFrame).hs.lbox <Button-3> {
3049	if $expgui(globalmode) {
3050	$expgui(fracFrame).hs.lbox selection set 0 end
3051	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
3052	DisplayFrac
3053	}
3054	}
3055
3056	pack [frame $expgui(fracFrame).f1] -fill both -expand true
3057	# Create a large canvas area containing a frame for each phase in the data set.
3058	# The canvas and vertical scrollbar are inside a frame called f1
3059	if $expgui(haveBW) {
3060	TitleFrame $expgui(fracFrame).f1.scaleBox \
3061	-borderwidth 4 -text "Scale Factor"
3062	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
3063	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3064	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
3065	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
3066	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3067	} else {
3068	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
3069	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
3070	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
3071	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
3072	-row 1 -column 0 -sticky nws -padx 2 -pady 3
3073	}
3074	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
3075	-row 1 -column 1 -sticky ew -padx 4 -pady 3
3076	set entrybox(scale) $expgui(scaleBox).ent1
3077
3078	button $expgui(scaleBox).but1 -text "Set Globally" \
3079	-command "editglobalparm histinfo scale {Scale Factor}"
3080
3081	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
3082	-row 1 -column 2 -sticky nws -padx 2 -pady 3
3083	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
3084	-row 1 -column 3 -sticky news -padx 4 -pady 3
3085	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
3086	-row 1 -column 4 -sticky w -padx 2 -pady 3
3087	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
3088	grid $expgui(scaleBox).om \
3089	-row 1 -column 5 -sticky news -padx 4 -pady 3
3090	grid columnconfigure $expgui(scaleBox) 6 -weight 1
3091
3092	if $expgui(haveBW) {
3093	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
3094	-text "Phase Fractions" -relief groove] \
3095	-sticky news -row 1 -column 0 -columnspan 2
3096	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
3097	} else {
3098	set PhaseFractBox $expgui(fracFrame).f1
3099	}
3100	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
3101	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
3102
3103	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
3104	-scrollregion {0 0 5000 500} \
3105	-yscrollcommand "$PhaseFractBox.yscroll set" \
3106	-width 500 -height 350 -bg lightgrey]] \
3107	-sticky news -row 1 -column 0
3108	grid [scrollbar $PhaseFractBox.yscroll \
3109	-command "$expgui(FracBox) yview" \
3110	-orient vertical] \
3111	-sticky ns -row 1 -column 1
3112	frame $expgui(FracBox).f -bd 0
3113	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
3114
3115	# the rest of the page is created in DisplayFrac
3116
3117	# insert the histograms & resize in case the pane needs more space
3118	sethistlist
3119	ResizeNotebook
3120	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3121	}
3122	###############################################################################
3123	proc MakeProfilePane {} {
3124	global expgui
3125	# 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
3126	pack [frame $expgui(profFrame).hs -class HistList] \
3127	-side left -expand y -fill both
3128	MakeHistBox $expgui(profFrame).hs
3129	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
3130	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3131	DisplayProfile
3132	}
3133	bind $expgui(profFrame).hs.lbox <Button-3> {
3134	if $expgui(globalmode) {
3135	$expgui(profFrame).hs.lbox selection set 0 end
3136	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
3137	DisplayProfile
3138	}
3139	}
3140
3141	# Create a large canvas area containing a frame for each phase in the data set.
3142	# The canvas and vertical scrollbar are inside a frame called f1
3143	pack [frame $expgui(profFrame).f1] -fill both -expand true
3144	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3145	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3146	-sticky news -row 0 -column 0
3147	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3148	-sticky ns -row 0 -column 1
3149
3150	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3151	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3152
3153	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3154	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3155	frame $expgui(ProfileBox).f -bd 0
3156	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3157
3158	# insert the histograms & resize in case the pane needs more space
3159	sethistlist
3160	ResizeNotebook
3161	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3162	}
3163
3164	##############################################################################
3165	# 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
3166	array set printopts {
3167	0 "Print the reciprocal metric tensor changes"
3168	1 "Print the correlation matrix"
3169	2 "Print the Least-Squares matrices and vectors"
3170	4 "Print the linear constraint matrices"
3171	5 "Print the applied shifts and shift factors"
3172	6 "Print the reciprocal metric tensor Var-Covar terms"
3173	7 "Print all parameters for each cycle"
3174	8 "Print summary shift/esd data after last cycle"
3175	9 "Print zero/unit pole figure constraint terms"
3176	}
3177	pack [frame $expgui(lsFrame).hs -class HistList] \
3178	-side left -expand y -fill both
3179	MakeHistBox $expgui(lsFrame).hs
3180	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3181	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3182	SetupExtractHist
3183	}
3184	bind $expgui(lsFrame).hs.lbox <Button-3> {
3185	if $expgui(globalmode) {
3186	$expgui(lsFrame).hs.lbox selection set 0 end
3187	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3188	SetupExtractHist
3189	}
3190	}
3191
3192	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3193	set row 0
3194	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3195	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3196	-textvariable expgui(last_History)] \
3197	-row $row -column 1 -columnspan 5 -sticky w
3198	incr row
3199	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3200	grid [entry $expgui(lsFrame).f1.tit2 \
3201	-textvariable entryvar(title) -width 48] \
3202	-row $row -column 1 -columnspan 5 -sticky w
3203	set entrycmd(title) "expinfo title"
3204
3205	incr row
3206	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3207	incr row
3208	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3209	-row $row -column 0 -columnspan 2 -pady 3 -sticky s
3210	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3211	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3212	-textvariable entryvar(cycles)] -row 0 -column 1
3213	set entrybox(cycles) $expgui(lsFrame).f1.b.ecyc
3214
3215	grid [frame $expgui(lsFrame).f1.cv -bd 4 -relief groove] \
3216	-row $row -column 2 -sticky ew
3217	grid [label $expgui(lsFrame).f1.cv.l -text "Convgerence Criterion"] \
3218	-row 0 -column 0 -columnspan 2
3219	grid [label $expgui(lsFrame).f1.cv.v -textvariable expgui(convlbl)] -row 1 -column 0
3220	grid [scale $expgui(lsFrame).f1.cv.s -orient horizontal \
3221	-from -200 -to 200 -showvalue 0 -command SetConv -resolution 10 \
3222	-variable expgui(convg)] -row 1 -column 1
3223
3224	incr row
3225	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3226	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3227	] -row $row -column 0 -columnspan 2
3228	menu $expgui(lsFrame).f1.lprint.menu
3229	foreach num [lsort [array names printopts]] {
3230	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3231	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3232	-variable entryvar(printopt$num)
3233	}
3234
3235	grid [frame $expgui(lsFrame).f1.marq -bd 4 -relief groove] \
3236	-row $row -column 2 -sticky ew
3237	grid [label $expgui(lsFrame).f1.marq.l -text "Marquardt Damping"] \
3238	-row 0 -column 0 -columnspan 2
3239	grid [label $expgui(lsFrame).f1.marq.v -textvariable expgui(marq)] \
3240	-row 1 -column 0
3241	grid [scale $expgui(lsFrame).f1.marq.s -orient horizontal \
3242	-from 1.0 -to 9.99 -showvalue 0 -command SetMarq -resolution 0.01 \
3243	-variable expgui(marq)] -row 1 -column 1
3244
3245	incr row
3246	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3247
3248	incr row
3249	if {$expgui(haveBW)} {
3250	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3251	-text "Reflection Intensity Extraction" \
3252	] -row $row -column 0 -columnspan 6
3253	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3254	} else {
3255	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3256	] -row $row -column 0 -columnspan 6
3257	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3258	}
3259
3260	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3261	-row 0 -column 8 -columnspan 3 -sticky ens
3262	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3263	-row 0 -column 2
3264	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3265	-variable entryvar(fobsextract)] -row 0 -column 3
3266
3267	grid [frame $expgui(FobsExtractFrame).d -bd 4 -relief groove] \
3268	-row 0 -column 3 -columnspan 5 -sticky ens
3269	grid [label $expgui(FobsExtractFrame).d.fol -text "LeBail damping"] \
3270	-row 0 -column 2
3271	tk_optionMenu $expgui(FobsExtractFrame).d.d entryvar(LBdamp) \
3272	0 1 2 3 4 5 6 7 8 9
3273	grid $expgui(FobsExtractFrame).d.d -row 0 -column 3
3274	incr row
3275	grid rowconfigure $expgui(lsFrame).f1 $row -weight 1
3276
3277
3278
3279	foreach num {1 2 3 4 5 6 7 8 9} {
3280	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3281	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3282	-command "HistExtractSet $num" \
3283	-variable expgui(Fextract$num) -value 0] \
3284	-row 2 -column $num
3285	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3286	-command "HistExtractSet $num" \
3287	-variable expgui(Fextract$num) -value 1] \
3288	-row 3 -column $num
3289	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3290	-command "HistExtractSet $num" \
3291	-variable expgui(Fextract$num) -value 2] \
3292	-row 4 -column $num
3293	}
3294	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3295	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3296	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3297
3298	grid [label $expgui(FobsExtractFrame).t \
3299	-text "Extraction\nMethod" -anchor c] \
3300	-column 0 -row 0 -sticky n
3301	grid [label $expgui(FobsExtractFrame).t0 -text "(Phase #)" -anchor c] \
3302	-column 10 -row 1 -sticky w
3303	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3304	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3305	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3306	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3307	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3308
3309	proc InitLSvars {} {
3310	global expgui
3311	set expgui(convg) [set expgui(convinit) [expinfo convg]]
3312	set expgui(convlbl) [format %5.2f [expr pow(10,$expgui(convg)/100.)]]
3313	set expgui(marq) [set expgui(marqinit) [expinfo marq]]
3314	}
3315	proc SetConv {x} {
3316	global expgui
3317	if {$x != $expgui(convinit) && $expgui(changed) <= 0} {
3318	incr expgui(changed)
3319	}
3320	if {$expgui(changed)} {expinfo convg set $x}
3321	set expgui(convlbl) [format %5.2f [expr {pow(10,$x/100.)}]]
3322	}
3323	proc SetMarq {x} {
3324	global expgui
3325	if {$x != $expgui(marqinit) && $expgui(changed) <= 0} {
3326	incr expgui(changed)
3327	}
3328	if {$expgui(changed)} {expinfo marq set $x}
3329	}
3330	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3331	#-------------------------------------------------------------------------
3332	#-------------------------------------------------------------------------
3333	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3334
3335	#---- file menu button
3336	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3337	menu $expgui(fm).file.menu
3338	if $expgui(debug) {
3339	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3340	}
3341	if {$expgui(shell)} {
3342	$expgui(fm).file.menu add command -label "Open" -command readnewexp
3343	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3344	}
3345	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3346	-command savearchiveexp
3347	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3348	$expgui(fm).file.menu add command -label "Save As" \
3349	-command "SaveAsFile"
3350	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3351	-command {rereadexp $expgui(expfile)}
3352
3353	#---- help menu button
3354	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3355	menu $expgui(fm).help.menu
3356	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3357	-label "Help Summary"
3358	$expgui(fm).help.menu add command -command MakeWWWHelp \
3359	-label "Help on current pane"
3360	$expgui(fm).help.menu add command -command "MakeWWWHelp menu" \
3361	-label "Help on menu"
3362	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3363	# define help actions
3364	bind . <Key-F1> MakeWWWHelp
3365	$expgui(fm).help.menu add command -label "About..." -command About
3366	$expgui(fm).help.menu add command -label "Cite..." -command Cite
3367
3368	#---- options menu button
3369	menubutton $expgui(fm).option -text Options \
3370	-menu $expgui(fm).option.menu
3371	menu $expgui(fm).option.menu
3372
3373	if {$expgui(shell)} {
3374	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3375	-variable expgui(archive)
3376	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3377	-variable expgui(disaglSeparateBox)
3378	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3379	-variable expgui(autoexpload)
3380	$expgui(fm).option.menu add checkbutton -label "Iconify during GSAS" \
3381	-variable expgui(autoiconify)
3382	}
3383	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3384	-label "Sort atoms by"
3385
3386	set expgui(asorttype) number
3387	menu $expgui(fm).option.menu.asort
3388	foreach opt {number type mult x y z occupancy} {
3389	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3390	-label $opt -value $opt -variable expgui(asorttype)
3391	}
3392
3393	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3394	-label "Sort histograms by"
3395
3396	set expgui(hsorttype) number
3397	menu $expgui(fm).option.menu.hsort
3398	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3399	-label number -value number -variable expgui(hsorttype)
3400	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3401	-label "Histogram type" -value type -variable expgui(hsorttype)
3402	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3403	-label "Bank #" -value bank -variable expgui(hsorttype)
3404	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3405	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3406
3407	#---- Global mode menu button
3408	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3409	-label "Multiple hist. selection"
3410	menu $expgui(fm).option.menu.editmode
3411	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3412	-variable expgui(globalmode) -value 0 \
3413	-command sethistlist
3414	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3415	-variable expgui(globalmode) -value 6 \
3416	-command sethistlist
3417	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3418	-variable expgui(globalmode) -value 1 \
3419	-command sethistlist
3420	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3421	-variable expgui(globalmode) -value 2 \
3422	-command sethistlist
3423	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3424	-variable expgui(globalmode) -value 3 \
3425	-command sethistlist
3426	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3427	-variable expgui(globalmode) -value 4 \
3428	-command sethistlist
3429	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3430	-variable expgui(globalmode) -value 5 \
3431	-command sethistlist
3432	$expgui(fm).option.menu.editmode add separator
3433	$expgui(fm).option.menu.editmode add checkbutton \
3434	-label "Group phases together" \
3435	-variable expgui(globalphasemode) \
3436	-command sethistlist
3437
3438	set expgui(globalmode) 0
3439	set expgui(globalphasemode) 1
3440
3441	if {$tcl_platform(platform) == "unix"} {
3442	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3443	-variable env(GSASBACKSPACE)
3444	}
3445
3446	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.font \
3447	-label "Screen font"
3448	menu $expgui(fm).option.menu.font
3449	foreach f {10 11 12 13 14 16 18 20 22} {
3450	$expgui(fm).option.menu.font add radiobutton \
3451	-command {SetTkDefaultOptions $expgui(font); ResizeFont .; ResizeNotebook} \
3452	-label $f -value $f -variable expgui(font) -font "Helvetica -$f"
3453	}
3454
3455	$expgui(fm).option.menu add checkbutton -label "Show EXPTOOL output" \
3456	-variable expgui(showexptool)
3457	$expgui(fm).option.menu add command -label "Save Options" \
3458	-command "SaveOptions"
3459
3460	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3461
3462	if {$expgui(shell)} {
3463	foreach menu $expgui(menunames) {
3464	set m [string tolower $menu]
3465	pack [menubutton $expgui(fm).$m -text $menu \
3466	-menu $expgui(fm).$m.menu] -side left
3467	menu $expgui(fm).$m.menu
3468	}
3469	}
3470	pack $expgui(fm).help -side right -in $expgui(fm)
3471
3472	if {$expgui(shell)} {
3473	# add the commands in expgui_menulist
3474	foreach menu [array names expgui_menulist ] {
3475	foreach cmd $expgui_menulist($menu) {
3476	set action {}
3477	set opt {}
3478	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3479	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3480	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3481	if {$action != "" && $action != "-"} {
3482	eval $expgui(fm).$menu.menu add command \
3483	-label $cmd $opt -command [list [subst $action]]
3484	if {[lindex $opt 0] == "-underline"} {
3485	catch {
3486	set num [lindex $opt 1]
3487	set key [string range $cmd $num $num]
3488	bind . <Alt-[string tolower $key]> [subst $action]
3489	bind . <Alt-[string toupper $key]> [subst $action]
3490	}
3491	}
3492	}
3493	}
3494	}
3495	}
3496	# setup command help
3497	foreach cmd [array names expgui_cmdlist] {
3498	set help {}
3499	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3500	if {$help == ""} {
3501	if {$expgui(debug)} {puts "no help for $cmd"}
3502	} else {
3503	# remove
3504	regsub -all \x09 $help " " help
3505	# preserve blank lines
3506	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3507	regsub -all \x0A $help " " help
3508	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3509	regsub -all " +" $help " " help
3510	set expgui_helplist($cmd) [string trim $help]
3511	}
3512	}
3513	if {$expgui(shell)} {
3514	# set up button bar
3515	foreach cmd $expgui(buttonlist) {
3516	set action {}
3517	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3518	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3519	if {$action != ""} {
3520	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3521	-text $cmd -command [list [subst $action]]] -side left
3522	}
3523	}
3524	}
3525
3526	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3527	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3528	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3529
3530	# make the phase pane
3531	MakePhasePane
3532	# and the rest of the windows w/o BWidget
3533	if !$expgui(haveBW) {
3534	MakeHistPane
3535	MakeScalingPane
3536	MakeProfilePane
3537	}
3538
3539	# handle indirect exits
3540	wm protocol . WM_DELETE_WINDOW catchQuit
3541	bind . <Control-c> catchQuit
3542
3543	set expgui(curPhase) ""
3544	set expgui(pagenow) ""
3545	set expgui(curhist) {}
3546	set expgui(selectedatomlist) {}
3547
3548	loadexp $expgui(expfile)
3549
3550	# select the 1st phase
3551	SelectOnePhase [lindex $expmap(phaselist) 0]
3552	# select the first histogram in the list by default (if there are any)
3553	if {[llength $expmap(histlistboxcontents)] > 0} {
3554	set expgui(curhist) 0
3555	} else {
3556	set expgui(curhist) {}
3557	}
3558
3559	# execute any local commands for final initialization
3560	eval $expgui(initstring)
3561
3562	# resize the notebook to fit all the tabs and the largest page
3563	ResizeNotebook
3564
3565	RaisePage lsFrame
3566	if {[CountHistory] > 100} {
3567	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3568	}

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format