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source: trunk/expgui @ 267

Last change on this file since 267 was 267, checked in by toby, 16 years ago
# on 2000/08/17 23:48:03, toby did: implement Replace Phase error trace on error in a *info command
Property rcs:author set to `toby` Property rcs:date set to `2000/08/17 23:48:03` Property rcs:lines set to `+7 -5` Property rcs:rev set to `1.33` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 116.9 KB

Rev	Line
[10]	1	#!/usr/local/bin/wish
[82]	2	# $Id: expgui 267 2009-12-04 23:03:12Z toby $
[10]	3	set expgui(Revision) {$Revision: 267 $ $Date: 2009-12-04 23:03:12 +0000 (Fri, 04 Dec 2009) $}
	4
	5	# to do:
	6	#
[30]	7	# need to change heading and button label depending on where getExpFileName
[139]	8	# is called from?
[28]	9	#
[10]	10	# global background editing & profile work differently: should both
	11	# start out blank with a "load from option"?
	12	#
	13	# idea:
	14	# a scroll list for all histogram refinement flags ; click on takes you to the
	15	# appropriate menu.
	16	#
[93]	17	# idea:
	18	# change cell parameters to labels and have a edit cell button
	19	# that enforces metric symmetry
	20	#
[20]	21	# to allow "global" access on phase page
[10]	22	# change buttons from radio to multiple
	23	# -- or display all 9 cell flag/damps and all atoms
	24	# make editMultipleRecords work with multiple phases, also cell flag/damp
	25	# blank cell entries
	26	# add phase to atom number in listing
	27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
[139]	28	#
	29	# idea: load more than one bank from a multi-bank .RAW file
	30	#
[16]	31	if {$tcl_version < 8.0} {
	32	tk_dialog .expFileErrorMsg "Version Error" \
	33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
	34	exit
	35	}
	36
[10]	37	if {$argv != ""} {
[30]	38	set expgui(expfile) $argv
[20]	39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
	40	append expgui(expfile) ".EXP"
[10]	41	}
	42	} else {
[30]	43	set expgui(expfile) {}
[10]	44	}
	45
[199]	46	set expgui(curhist) {}
	47	set expmap(powderlist) {}
	48
[10]	49	set expgui(debug) 0
	50	catch {if $env(DEBUG) {set expgui(debug) 1}}
	51	#set expgui(debug) 1
	52
[93]	53	# default for archive mode = on
[10]	54	set expgui(archive) 1
[93]	55	# default for autoexec load = off
	56	set expgui(autoexpload) 0
[20]	57	# save the name of the wish executable
	58	set wishshell [info nameofexecutable]
	59	# misc constants
[181]	60	set txtvw(font) "Courier"
[10]	61	set expgui(coordfont) "--courier-bold-r-normal--12-"
	62	set expgui(histfont) "--courier-bold-r-normal--12-"
[20]	63	set liveplot(hst) 1
	64	set liveplot(legend) 1
[30]	65	set expgui(filesort) 1
[118]	66	set expgui(initstring) {}
[139]	67	# use a separate window for DISAGL (default)
	68	set expgui(disaglSeparateBox) 1
[234]	69	set expgui(DefaultPeakType) 0
[267]	70	# default: keep current atoms when replacing a phase
	71	set expgui(DeleteAllAtoms) 0
[10]	72	#=============================================================================
[20]	73	#----------------------------------------------------------------
	74	# where are we?
	75	set expgui(script) [info script]
	76	# translate links -- go six levels deep
	77	foreach i {1 2 3 4 5 6} {
	78	if {[file type $expgui(script)] == "link"} {
	79	set link [file readlink $expgui(script)]
	80	if { [file pathtype $link] == "absolute" } {
[48]	81	set expgui(script) $link
[20]	82	} {
	83	set expgui(script) [file dirname $expgui(script)]/$link
	84	}
	85	} else {
	86	break
	87	}
	88	}
[21]	89	# fixup relative paths
	90	if {[file pathtype $expgui(script)] == "relative"} {
	91	set expgui(script) [file join [pwd] $expgui(script)]
	92	}
[20]	93	set expgui(scriptdir) [file dirname $expgui(script) ]
	94	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
[21]	95	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
[20]	96	#----------------------------------------------------------------
[133]	97	lappend auto_path $expgui(scriptdir)
	98	set expgui(havetix) 0
	99	set expgui(haveBW) 1
	100	# for debugging non-BWidget version set environment variable NOBWIDGET
	101	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
	102	if $expgui(haveBW) {
	103	if [catch {package require BWidget}] {set expgui(haveBW) 0}
	104	}
	105	# get the notebook widget if not using BWidgets
[238]	106	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
[133]	107	#----------------------------------------------------------------
	108	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
	109	source [file join $expgui(scriptdir) opts.tcl]
	110	}
[20]	111	# fetch EXP file processing routines
	112	source [file join $expgui(scriptdir) readexp.tcl]
	113	# commands for running GSAS programs
	114	source [file join $expgui(scriptdir) gsascmds.tcl]
	115	# contents of GSAS menus
	116	source [file join $expgui(scriptdir) gsasmenu.tcl]
[93]	117	# commands for adding phases, histograms & atoms
	118	source [file join $expgui(scriptdir) addcmds.tcl]
[199]	119	# commands for preferred orientation
	120	source [file join $expgui(scriptdir) orient.tcl]
[20]	121	#---------------------------------------------------------------------------
	122	# override options with locally defined values
	123	if [file exists [file join $expgui(scriptdir) localconfig]] {
	124	source [file join $expgui(scriptdir) localconfig]
	125	}
	126	if [file exists [file join ~ .gsas_config]] {
	127	source [file join ~ .gsas_config]
	128	}
[93]	129	if {$tcl_platform(platform) == "windows"} {
	130	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
	131	} else {
	132	set expgui(exptool) [file join $expgui(gsasexe) exptool]
	133	}
[20]	134	#---------------------------------------------------------------------------
[30]	135	if {$expgui(expfile) != ""} {
	136	if ![file exists $expgui(expfile)] {
	137	update
	138	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
[61]	139	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
	140	error 0 "Create" "Open other"]
[30]	141	if $ans {set expgui(expfile) {}}
[20]	142	}
	143	}
[30]	144	if {$expgui(expfile) == ""} {
[74]	145	# center the parent window because the getExpFileName window
	146	# will be centered above it.
	147	wm withdraw .
	148	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
	149	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
	150	wm geom . +$x+$y
	151	wm deiconify .
	152	# windows needed this update before when using tk_getOpenFile.
	153	# I am not sure it is still needed.
[30]	154	update
[74]	155	#
[30]	156	set expgui(expfile) [getExpFileName old]
	157	}
	158	if {$expgui(expfile) == ""} exit
	159	# you've been warned this .EXP does not exist!
	160	if ![file exists $expgui(expfile)] {
	161	# create an "empty" exp file
	162	createexp $expgui(expfile) \
	163	[getstring "title for experiment $expgui(expfile)" 60 0]
	164	}
	165	catch {cd [string trim [file dirname $expgui(expfile)]]}
[20]	166
[10]	167	#
	168	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	169	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
	170	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	171	# load exp file and set up dialogs
	172	proc loadexp {expfile} {
[133]	173	global expgui expmap entryvar entrycmd tcl_platform
	174	set exploadtime [time {set fmt [expload $expfile]}]
	175	if $expgui(debug) {puts "expload $exploadtime"}
	176	# if the file was not in the correct format, force a rewrite before use
	177	if {$fmt < 0} {
	178	# read error
	179	return
	180	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
	181	set expgui(changed) 1
	182	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
	183	set expgui(changed) 1
	184	} else {
	185	set expgui(changed) 0
	186	}
	187
	188	# force exp files to be upper case, force save if name changes
	189	set filetail [file tail $expfile]
	190	set filetailcaps [string toupper $filetail]
	191	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
	192	set expgui(changed) 1
	193	}
	194	if {[file dirname $expfile] == "."} {
	195	set expgui(expfile) $filetailcaps
	196	} else {
	197	set expgui(expfile) [file join \
	198	[file dirname $expfile] $filetailcaps]
	199	}
	200
	201	mapexp
	202	set expgui(expModifiedLast) 0
[10]	203	catch {
[133]	204	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
[10]	205	}
[20]	206	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
[10]	207	# set the window/icon title
[199]	208	wm title . "EXPGUI $expfile"
[16]	209	set expgui(titleunchanged) 1
[10]	210	wm iconname . [file tail $expfile]
	211
	212	# set the number of phases on the phase page
	213	setphases
	214
[234]	215	# disable the "global options" that don't make sense based on
	216	# which histograms present
[10]	217	foreach num {1 2 3 4 5} {
	218	set flag($num) 0
	219	}
[234]	220	# save a list of the allowed modes, too
	221	set expgui(AllowedHistSelectModes) {0 6}
[10]	222	foreach h $expmap(powderlist) {
	223	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
	224	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
	225	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
	226	[histinfo $h lam2] != 0.0} {set flag(3) 1}
	227	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
	228	[histinfo $h lam2] == 0.0} {set flag(4) 1}
	229	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
	230	}
	231	foreach num {1 2 3 4 5} \
	232	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
	233	"Energy Disp Xray"} {
	234	if $flag($num) {
[16]	235	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
[234]	236	lappend expgui(AllowedHistSelectModes) $num
[10]	237	} else {
[16]	238	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
[10]	239	}
	240	}
[12]	241	# disable traces on entryvar until we are ready
	242	set entrycmd(trace) 0
[117]	243	trace vdelete entryvar w entvartrace
[12]	244
[28]	245	# propogate changes on the least squares page
[10]	246	set entryvar(cycles) [expinfo cycles]
	247	set entrycmd(cycles) "expinfo cycles"
[112]	248	# set expgui(globalmode) 0
[10]	249	set expgui(printopt) "Print Options ([expinfo print])"
[20]	250	set entryvar(title) [expinfo title]
[10]	251	global printopts
	252	foreach num [array names printopts] {
	253	set entrycmd(printopt$num) "printsetting $num"
	254	set entryvar(printopt$num) [printsetting $num]
	255	}
[12]	256	# enable traces on entryvar
	257	set entrycmd(trace) 1
[117]	258	trace variable entryvar w entvartrace
	259
[133]	260	# set fo extraction on LS page
[20]	261	SetupExtractHist
[28]	262
[238]	263	# update the histogram list & update the page
[28]	264	sethistlist
	265
[16]	266	# start checking for external changes
	267	afterawhile
[10]	268	}
	269
[93]	270	# called to reread the .EXP file
[10]	271	proc rereadexp {expfile} {
	272	global expgui
	273	if $expgui(changed) {
	274	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
	275	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
	276	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
	277	switch $decision {
[20]	278	0 { savearchiveexp }
	279	1 { }
	280	2 { return }
[10]	281	}
	282	}
[20]	283	loadexp $expgui(expfile)
[10]	284	}
	285
	286	proc SaveAsFile {} {
[20]	287	global expgui
[30]	288	set newexpfile [getExpFileName new]
[10]	289	if {$newexpfile == ""} return
[71]	290	expwrite $newexpfile
[20]	291	set expgui(expfile) $newexpfile
[21]	292	catch {cd [string trim [file dirname $expgui(expfile)]]}
[10]	293	set expgui(changed) 0
[20]	294	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
	295	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
[10]	296	# set the window/icon title
[20]	297	wm title . $expgui(expfile)
[16]	298	set expgui(titleunchanged) 1
[20]	299	wm iconname . [file tail $expgui(expfile)]
[10]	300	}
	301
	302	# called to read a different .EXP file
	303	proc readnewexp {} {
[30]	304	global expgui expmap
[10]	305	if $expgui(changed) {
	306	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
	307	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
	308	{} 0 "Save and read" "Read without Save" "Cancel read command"]
	309	switch $decision {
[20]	310	0 { savearchiveexp }
	311	1 { }
	312	2 { return }
[10]	313	}
	314	}
[30]	315	set newexpfile [getExpFileName old]
[10]	316	if {$newexpfile == ""} return
[71]	317
[152]	318	# switch to the 1st page
	319	RaisePage lsFrame
	320
[71]	321	if ![file exists $newexpfile] {
	322	# you've been warned this .EXP does not exist!
	323	# create an "empty" exp file
	324	createexp $newexpfile \
	325	[getstring "title for experiment $newexpfile" 60 0]
	326	}
[20]	327	set expgui(expfile) $newexpfile
[21]	328	catch {cd [string trim [file dirname $expgui(expfile)]]}
[112]	329	set expgui(globalmode) 0
[20]	330	loadexp $expgui(expfile)
[30]	331
	332	# select the 1st phase
	333	SelectOnePhase [lindex $expmap(phaselist) 0]
	334	# select the first histogram in the list by default (if there are any)
[71]	335	if {[llength $expmap(histlistboxcontents)] > 0} {
	336	set expgui(curhist) 0
	337	} else {
	338	set expgui(curhist) {}
	339	}
[117]	340	if {[CountHistory] > 100} {
	341	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
	342	}
[10]	343	}
	344
	345	#------------- set up data read/write layer ----------------------
	346	# trace routine on entryvar
	347	proc entvartrace {array elem action} {
	348	global expgui entrycmd entryvar
	349	if !$entrycmd(trace) return
	350
	351	catch {
[20]	352	if {$entrycmd($elem) == ""} return
[10]	353	incr expgui(changed)
	354	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
	355	if {$entrycmd($elem) == ""} return
	356	if [catch {
[20]	357	eval $entrycmd($elem) set [list $entryvar($elem)]
[10]	358	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
	359	after idle {DisplayAllAtoms noreset}
	360	}
[267]	361	} errmsg] {error $errmsg}
[10]	362	}
	363	}
	364
	365	# disable traces on entryvar until we are ready
	366	set entrycmd(trace) 0
	367	trace variable entryvar w entvartrace
	368
	369	#
	370	#
	371	#
	372	##############################################################################
	373	##### #####################################################
	374	##### PROCEDURES SECTION #####################################################
	375	##### #####################################################
	376	##############################################################################
	377	# reset routine is used for debugging
	378	proc reset {} {
[20]	379	global expgui script argv
[10]	380	set script $expgui(script)
[20]	381	set argv $expgui(expfile)
[10]	382	# remove traces
	383	global entryvar
	384	foreach cmd [trace vinfo entryvar] {
	385	eval trace vdelete entryvar $cmd
	386	}
	387	global expgui
	388	foreach cmd [trace vinfo expgui(backterms)] {
	389	eval trace vdelete entryvar $cmd
	390	}
	391	foreach cmd [trace vinfo expgui(backtype)] {
	392	eval trace vdelete entryvar $cmd
	393	}
[20]	394	foreach a {
[133]	395	expmap expgui entryvar entrycmd
[20]	396	expgui_menulist expgui_cmdlist expgui_helplist
	397	} {
[10]	398	global $a
	399	catch {unset $a}
	400	}
	401	foreach w [winfo children .] {
	402	destroy $w
	403	}
	404
	405	uplevel #0 {source $script}
	406	}
	407
[28]	408	# save some of the global options in ~/.gsas_config
	409	proc SaveOptions {} {
	410	global expgui env tcl_platform
	411	set fp [open [file join ~ .gsas_config] a]
[139]	412	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
	413	puts $fp "set expgui($item) $expgui($item)"
	414	}
[28]	415	if {$tcl_platform(platform) != "windows"} {
	416	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
[123]	417	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
[28]	418	}
	419	close $fp
	420	}
	421
[10]	422	proc About { } {
	423	global expgui expmap
	424	tk_dialog .about {About...} \
	425	"EXPGUI\n\
	426	Jonathan Wasserman and Brian Toby\n\
	427	NIST Center for Neutron Research\n\n\
[250]	428	2000, Not subject to copyright\n\n\
[20]	429	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
	430	Generalized Structure Analysis System (GSAS)\n\
	431	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
	432	" \
[10]	433	info 0 OK
	434	}
	435
[16]	436	# wait until idle
	437	proc afterawhile {} {
	438	# cancel any other instances of this loop
	439	after cancel afterawhile
	440	after cancel whenidle
	441	after cancel whenidle
	442	after idle whenidle
	443	}
	444
[133]	445	# This is called every 2 seconds to check for changes to the .EXP file
[16]	446	proc whenidle {} {
[20]	447	global expgui
[16]	448	if $expgui(titleunchanged) {
	449	if {$expgui(changed) != 0} {
[20]	450	wm title . "$expgui(expfile) (modified)"
[16]	451	set expgui(titleunchanged) 0
	452	}
	453	}
[133]	454	if {$expgui(expModifiedLast) == 0} {
	455	after 2000 afterawhile
	456	return
	457	}
	458	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
	459	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
[16]	460	if {$ans == 0} {
[20]	461	loadexp $expgui(expfile)
[16]	462	} elseif {$ans == 1} {
	463	# reset the time to the next version
[20]	464	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
[16]	465	} elseif {$ans == 2} {
[20]	466	savearchiveexp
[16]	467	}
	468	}
	469	after 2000 afterawhile
	470	}
[133]	471
	472	# place a message about changes over the main window
	473	proc ReloadExpMsg {file changes} {
	474	global expgui tcl_platform
	475	set msg "File $file has been modified by another program"
	476	if {$changes == 1} {
	477	append msg " and you have made a change to this version.\n"
	478	} elseif {$changes > 0} {
	479	append msg " and you have made $changes changes to this version.\n"
	480	} else {
	481	append msg ".\n"
	482	}
[199]	483	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
	484
[133]	485	set w .ask
	486	catch {destroy $w}
	487	toplevel $w -class Dialog
	488	wm title $w "Reload?"
	489	wm iconname $w "Reload?"
	490	wm protocol $w WM_DELETE_WINDOW { }
	491	wm transient $w .
	492	frame $w.bot
	493	pack $w.bot -side bottom
	494	frame $w.top
	495	pack $w.top -side top -fill both -expand 1
	496	label $w.top.msg -justify left \
	497	-wraplength 5i -font {Times 18} \
	498	-text $msg
	499	if {$tcl_platform(platform) == "windows"} {
	500	$w.top.msg config -font {Times 14}
	501	}
	502	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
	503	pack [button $w.bot.1 -text "Load new" \
	504	-default active -command "set expgui(dialogbutton) 0" \
	505	] -side left -expand 1 -padx 3m -pady 2m
[199]	506	pack [button $w.bot.2 -text "Continue with old" \
[133]	507	-command "set expgui(dialogbutton) 1"] \
	508	-side left -expand 1 -padx 3m -pady 2m
	509	if {$changes > 0} {
	510	pack [button $w.bot.3 -text "Save edited version" \
	511	-command "set expgui(dialogbutton) 2"] \
	512	-side left -expand 1 -padx 3m -pady 2m
	513	}
	514	# Create a binding for <Return> on the dialog
	515	bind $w <Return> "tkButtonInvoke $w.bot.1"
	516	wm withdraw $w
	517	update idletasks
	518
	519	# for windows put the box in the upper left, for
	520	# unix center it over the parent (in unix it appears later)
	521	#if {$tcl_platform(platform) == "windows"} {
	522	#wm geom $w +0+0
	523	#} else {
	524
	525	# for now, always center the message over the main window
	526	# center the new window in the middle of the parent
	527	set x [expr [winfo x .] + [winfo width .]/2 - \
	528	[winfo reqwidth $w]/2 - [winfo vrootx .]]
	529	set y [expr [winfo y .] + [winfo height .]/2 - \
	530	[winfo reqheight $w]/2 - [winfo vrooty .]]
	531	wm geom $w +$x+$y
	532	#}
	533	wm deiconify $w
	534
	535	# Grab the focus
	536	set oldFocus [focus]
	537	set oldGrab [grab current $w]
	538	if {[string compare $oldGrab ""]} {
	539	set grabStatus [grab status $oldGrab]
	540	}
	541	grab $w
	542	focus $w.bot.1
	543	# for windows rearrange window stacking
	544	if {$tcl_platform(platform) == "windows"} {
	545	lower .
	546	raise $w .
	547	}
	548	update idletasks
	549
	550	tkwait variable expgui(dialogbutton)
	551	catch {focus $oldFocus}
	552	destroy $w
	553	if {[string compare $oldGrab ""]} {
	554	if {![string compare $grabStatus "global"]} {
	555	grab -global $oldGrab
	556	} else {
	557	grab $oldGrab
	558	}
	559	}
	560	raise .
	561	return $expgui(dialogbutton)
	562	}
	563
[10]	564	# -------- called to confirm before exiting
	565	proc catchQuit {} {
	566	if {[confirmBeforeSave] == "Continue"} {
	567	destroy .
	568	}
	569	}
	570	# save the .EXP file before exiting?
	571	proc confirmBeforeSave {} {
[20]	572	global expgui
[10]	573	if !$expgui(changed) {
	574	return "Continue"
	575	}
	576	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
	577	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
	578	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
	579	switch $decision {
[20]	580	0 { savearchiveexp; return "Continue" }
	581	1 { return "Continue" }
	582	2 { return "Cancel" }
[10]	583	}
	584	}
	585
[20]	586	proc archiveexp {} {
	587	global expgui tcl_platform
[133]	588	# is there a file to archive
	589	if {![file exists $expgui(expfile)]} return
[20]	590	catch {
	591	set expnam [file rootname $expgui(expfile)]
	592	if {$tcl_platform(platform) == "windows"} {
[123]	593	set version -1
	594	catch {source $expnam.version}
	595	incr version
[20]	596	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
	597	# archive w/o pkzip
[123]	598	set file $expnam![format "%3.3d" $version].EXP
	599	file copy -force $expnam.EXP $file
[20]	600	set fp [open $expnam.lst a]
	601	puts $fp "\n--------------------------------------------------------------"
	602	puts $fp "Archiving $expnam.EXP as $file"
	603	puts $fp "--------------------------------------------------------------\n"
	604	close $fp
	605	} else {
	606	# archive with PKZIP
	607	# need to limit expnam to 8 characters
	608	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
	609	# PKZIP can't handle long dir names either
	610	cd [set dir [file dirname $expnam]]
[123]	611	set file $sexp.[format "%3.3d" $version]
[20]	612	file copy -force $expnam.EXP $file
[123]	613	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
[20]	614	set fp [open $expnam.lst a]
	615	puts $fp "\n--------------------------------------------------------------"
	616	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
	617	puts $fp "--------------------------------------------------------------\n"
	618	close $fp
[10]	619	}
[123]	620	set fp [open $expnam.version w]
	621	puts $fp "set version $version"
	622	close $fp
[20]	623	} else {
	624	set files [glob -nocomplain $expnam.EXP.*]
	625	if {$files == ""} {
	626	set file $expnam.EXP.000
	627	} else {
	628	set file [lindex [lsort -decreasing $files] 0]
	629	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
	630	incr number
	631	set file $expnam.EXP.[format "%3.3d" $number]
	632	}
[234]	633	file copy $expgui(expfile) $file
[20]	634	if [catch {exec gzip $file}] {
	635	exec echo "\n----------------------------------------------" >> $expnam.LST
	636	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
	637	exec echo "----------------------------------------------\n" >> $expnam.LST
	638	} else {
	639	exec echo "\n----------------------------------------------" >> $expnam.LST
	640	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
	641	exec echo "----------------------------------------------\n" >> $expnam.LST
	642	}
[10]	643	}
[20]	644	} errmsg
	645	if {$errmsg != ""} {
	646	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
[10]	647	}
[20]	648	}
	649
	650	# save and optionally archive the expfile
	651	proc savearchiveexp {} {
	652	global expgui expmap
	653	if !$expgui(changed) return
	654	if $expgui(archive) archiveexp
	655	# add a history record
[16]	656	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
[10]	657	# now save the file
[20]	658	expwrite $expgui(expfile)
[14]	659	set expgui(changed) 0
[20]	660	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
	661	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
	662	wm title . $expgui(expfile)
[16]	663	set expgui(titleunchanged) 1
[10]	664	}
	665
[133]	666	# setup buttons for each phase on the phase page
[10]	667	proc setphases {} {
	668	global expgui expmap
[152]	669	eval destroy [winfo children $expgui(phaseFrame).top.ps]
[255]	670	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
[133]	671	foreach num $expmap(phaselist) type $expmap(phasetype) {
[10]	672	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
[255]	673	-command "SelectOnePhase $num" -padx 1.5m] -side left
[133]	674	if {$type > 3} {
	675	$expgui(phaseFrame).top.ps.$num config -state disabled
	676	}
[10]	677	}
[255]	678	if {[file executable $expgui(exptool)] && \
	679	[llength $expmap(phaselist)]} {
	680	pack [button $expgui(phaseFrame).top.ps.10 -text "Add Phase" \
	681	-padx 1.5m -command MakeAddPhaseBox] -side left
	682	}
[10]	683	}
	684
	685	# Procedure to respond to changes the phase.
	686	# This loads the "phases" widgets with data corresponding to the selected phase.
	687	proc SelectOnePhase {num} {
	688	global entryvar entrycmd expmap expgui
[133]	689	set crsPhase {}
[255]	690	$expgui(atomxform) config -text "Xform Atoms" -state disabled
[133]	691	foreach n $expmap(phaselist) type $expmap(phasetype) {
	692	if {$n == $num && $type <= 3} {
[238]	693	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
[133]	694	set crsPhase $num
	695	if {$type == 3} {
	696	set expgui(phasetype) "Magnetic\nOnly"
	697	} elseif {$type == 2} {
	698	set expgui(phasetype) "Magnetic\n& Nuclear"
	699	} elseif {$type == 4} {
	700	# this is not used at present
	701	set expgui(phasetype) "Macromolecular"
	702	} else {
	703	set expgui(phasetype) ""
	704	}
[10]	705	} else {
[238]	706	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
[10]	707	}
[20]	708	}
	709	# no phase is selected
[71]	710	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
[20]	711	# disable traces on entryvar
	712	set entrycmd(trace) 0
	713	set entrycmd(phasename) ""
	714	set entryvar(phasename) ""
	715	foreach ent {a b c alpha beta gamma cellref celldamp} {
	716	set entrycmd($ent) ""
	717	set entryvar($ent) ""
	718	}
[71]	719	set expgui(curPhase) {}
[20]	720	# enable traces on entryvar
	721	set entrycmd(trace) 1
[97]	722	$expgui(EditingAtoms) config -text ""
	723	DisplayAtom 0 0
	724	DisplayU 0 0
	725	DisplayRefFlags 0 0
	726	$expgui(atomlistbox) delete 0 end
[20]	727	return
	728	}
	729
[10]	730	set expgui(curPhase) $crsPhase
	731	# we have a phase
	732
	733	# disable traces on entryvar for right now
	734	set entrycmd(trace) 0
	735
	736	##########################################################
	737	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
	738	##########################################################
	739	# phase title
[20]	740	set entrycmd(phasename) "phaseinfo $crsPhase name"
[10]	741	set entryvar(phasename) [phaseinfo $crsPhase name]
	742	# cell parameters & flags
	743	foreach ent {a b c alpha beta gamma cellref celldamp} {
	744	set entrycmd($ent) "phaseinfo $crsPhase $ent"
	745	set entryvar($ent) [phaseinfo $crsPhase $ent]
	746	}
	747
	748	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
	749	# initialize to diasbled
	750	DisplayAtom 0 0
	751	DisplayU 0 0
	752	DisplayRefFlags 0 0
	753	$expgui(EditingAtoms) config -text ""
	754
	755	DisplayAllAtoms
	756
	757	# enable traces on entryvar now
	758	set entrycmd(trace) 1
	759	}
	760
	761	set expgui(noreenterDisplayAllAtoms) 0
	762	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
	763	proc DisplayAllAtoms {"mode reset"} {
	764	global entryvar entrycmd expmap expgui
	765	# if it does not show, dont bother
	766	if {$expgui(pagenow) != "phaseFrame"} return
	767	if {$expgui(curPhase) == ""} return
	768	if $expgui(noreenterDisplayAllAtoms) return
	769
	770	set expgui(noreenterDisplayAllAtoms) 1
	771	if {$mode != "reset"} {
[63]	772	# save the scrolled position
[10]	773	set pos [lindex [$expgui(atomlistbox) yview] 0]
[63]	774	} else {
	775	# this is a reset -- clear the selected atoms list
	776	set expgui(selectedatomlist) {}
[10]	777	}
	778	$expgui(atomlistbox) delete 0 end
	779	# loop over atoms
	780	set maxline I
	781	set phase $expgui(curPhase)
	782	set atomlist {}
[234]	783	set typehead "type "
	784	set namehead " name "
	785	set multhead "Mult"
	786	set coordhead " "
[255]	787	set frachead "Occupancy"
[10]	788	if {$expgui(asorttype) == "type"} {
	789	# sort on atom type
[234]	790	set typehead "type* "
[10]	791	foreach atom $expmap(atomlist_$phase) {
	792	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
	793	}
	794	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
	795	} elseif {$expgui(asorttype) == "number"} {
	796	# sort on atom number
[234]	797	set namehead "* name "
[10]	798	foreach atom $expmap(atomlist_$phase) {
	799	lappend atomlist "$atom $atom $phase"
	800	}
	801	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
[234]	802	} elseif {$expgui(asorttype) == "mult"} {
	803	# sort on atom number
	804	set multhead "Mlt*"
	805	foreach atom $expmap(atomlist_$phase) {
	806	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
	807	}
	808	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
[255]	809	} elseif {$expgui(asorttype) == "occupancy"} {
	810	# sort on atom number
	811	set frachead " Occup* "
	812	foreach atom $expmap(atomlist_$phase) {
	813	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
	814	}
	815	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
[10]	816	} elseif {$expgui(asorttype) == "x"} {
	817	# sort on x
[234]	818	set coordhead "(x*)"
[10]	819	foreach atom $expmap(atomlist_$phase) {
	820	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
	821	}
	822	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
	823	} elseif {$expgui(asorttype) == "y"} {
	824	# sort on y
[234]	825	set coordhead "(y*)"
[10]	826	foreach atom $expmap(atomlist_$phase) {
	827	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
	828	}
	829	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
	830	} elseif {$expgui(asorttype) == "z"} {
	831	# sort on z
[234]	832	set coordhead "(z*)"
[10]	833	foreach atom $expmap(atomlist_$phase) {
	834	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
	835	}
	836	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
	837	} else {
[234]	838	error "Bad expgui(asorttype) = $expgui(asorttype)"
[10]	839	}
	840
	841	foreach tuple $expmap(atomlistboxcontents) {
	842	set atom [lindex $tuple 0]
	843	set phase [lindex $tuple 2]
	844	set refflag {}
	845	foreach type {x u f} {
	846	if {[atominfo $phase $atom ${type}ref]} {
	847	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
	848	} else {
	849	append refflag " [atominfo $phase $atom ${type}damp] "
	850	}
	851	}
[234]	852	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
[10]	853	$atom \
	854	[atominfo $phase $atom label] \
	855	[atominfo $phase $atom type] \
	856	$refflag \
	857	[atominfo $phase $atom x] \
	858	[atominfo $phase $atom y] \
	859	[atominfo $phase $atom z] \
[234]	860	[atominfo $phase $atom mult] \
[10]	861	[atominfo $phase $atom frac]
	862	]
[234]	863
[10]	864	# add temperature factors (iso/anoiso)
	865	if {[atominfo $phase $atom temptype] == "A"} {
	866	set maxline A
	867	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
	868	[atominfo $phase $atom U11] \
	869	[atominfo $phase $atom U22] \
	870	[atominfo $phase $atom U33] \
	871	[atominfo $phase $atom U12] \
	872	[atominfo $phase $atom U23] \
	873	[atominfo $phase $atom U13]
	874	]
	875	} else {
	876	append line [format " %9.5f" \
	877	[atominfo $phase $atom Uiso]
	878	]
	879	}
	880	$expgui(atomlistbox) insert end $line
	881	}
	882	$expgui(atomtitle) delete 0 end
	883	if {$maxline == "A"} {
[234]	884	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
	885	$namehead $typehead "ref/damp " \
	886	"fractional coordinates$coordhead" \
[255]	887	"$multhead $frachead" \
	888	" Uiso/Uij "]
[10]	889	} else {
[234]	890	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
	891	$namehead $typehead "ref/damp " \
	892	"fractional coordinates$coordhead" \
[255]	893	"$multhead $frachead" \
	894	" Uiso"]
[10]	895	}
	896	if {$mode != "reset"} {
[63]	897	# restore the selected items
	898	foreach i $expgui(selectedatomlist) {
[10]	899	$expgui(atomlistbox) selection set $i
	900	}
[63]	901	# restore the last scrolled position
	902	$expgui(atomlistbox) yview moveto $pos
[10]	903	}
	904	set expgui(noreenterDisplayAllAtoms) 0
	905	}
	906
	907	# Procedure to select all atoms in response to a right-click
	908	proc SelectAllAtoms {} {
	909	global expgui
	910	$expgui(atomlistbox) selection set 0 end
[63]	911	# call editRecord in case trace was called before the selection was made
[10]	912	editRecord
	913	}
	914
	915	# Procedure to respond to left mouse release in the atoms Pane
	916	proc editRecord { args } {
	917	global entrycmd expgui
[63]	918	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
[10]	919	# disable traces on entryvar for right now
	920	set entrycmd(trace) 0
	921
[63]	922	if {[llength $expgui(selectedatomlist)] == 0} {
[255]	923	if $expgui(debug) {error "Attempt display non-existent atoms"}
[63]	924	} elseif {[llength $expgui(selectedatomlist)] == 1} {
	925	editOneRecord $expgui(selectedatomlist)
[10]	926	} else {
[63]	927	editMultipleRecords $expgui(selectedatomlist)
[10]	928	}
	929	# reenable traces on entryvar
	930	set entrycmd(trace) 1
	931	# repaint the atoms box in case anything was changed
[63]	932	# DisplayAllAtoms noreset
[10]	933	}
	934
	935	proc editOneRecord { AtomIndex } {
	936	global expmap expgui
	937	# get atom number & phase
	938	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
	939	set atomnum [lindex $tuple 0]
	940	set p [lindex $tuple 2]
	941	DisplayU $atomnum $p
	942	DisplayAtom $atomnum $p
	943	DisplayRefFlags $atomnum $p
	944	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
[255]	945	$expgui(atomxform) config -text "Xform Atom" -state normal
[10]	946	}
	947
	948	# this will not work for a multi-phase list of atoms (yet)
	949	proc editMultipleRecords { AtomIndexList } {
	950	global expmap expgui
	951	set numberList {}
	952	# current phase
	953	set p $expgui(curPhase)
	954	foreach AtomIndex $AtomIndexList {
	955	# get atom number & phase
	956	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
	957	lappend numberList [lindex $tuple 0]
	958	# set p [lindex $tuple 2]
	959	}
	960	# this needs to track by phase
	961	$expgui(EditingAtoms) config -text \
	962	"Set refinement options: atoms [CompressList $numberList]"
	963	DisplayU 0 0
	964	DisplayAtom 0 0
	965	# this needs to track by phase
	966	DisplayRefFlags $numberList $p
[255]	967	$expgui(atomxform) config -text "Xform Atoms" -state normal
[10]	968	}
	969
	970	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
	971	# becomes "1-4,6,7,13-15,19"
	972	proc CompressList {numberList} {
	973	# format the number list to save space
	974	set lastnum -99
	975	set flist {}
	976	set count 0
[199]	977	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
	978	foreach num $sortlist {
	979	set next [expr $lastnum+1]
	980	if {$num != $next} {
	981	if {$count == 0 && $flist != ""} {
	982	append flist ",$num"
	983	} elseif {$count == 1 && $flist != ""} {
	984	append flist ",$lastnum,$num"
	985	} elseif {$flist != ""} {
	986	append flist "-$lastnum,$num"
[10]	987	} else {
	988	append flist "$num"
	989	}
	990	set lastnum $num
	991	set count 0
	992	} else {
	993	incr count
	994	incr lastnum
	995	}
	996	}
	997	if {$count == 1 && $flist != ""} {
	998	append flist ",$lastnum"
	999	} elseif {$flist != "" && $count > 1} {
	1000	append flist "-$lastnum"
	1001	}
	1002	return $flist
	1003	}
	1004
	1005	# Procedure to display Isotropic or Anisotropic temperature factors
	1006	# Changes the display to one entry widget for Isotropic motion OR
	1007	# 6 entry widgets for Anisotropic motion in Frame3.
	1008	# or disables the widet entirly if atom = 0
	1009	proc DisplayU { atomnum p} {
	1010	global expgui entryvar entrycmd
	1011	if {$atomnum == 0} {
	1012	set iOrA disable
	1013	} else {
	1014	set iOrA [atominfo $p $atomnum temptype]
	1015	}
	1016
	1017	set firstbox [lindex $expgui(anisolabels) 0]
	1018	if { $iOrA == "A" } {
	1019	$firstbox config -text "U11 "
	1020	foreach item $expgui(anisolabels) {
	1021	$item config -fg black
	1022	}
	1023	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
	1024	set entrycmd($var) "atominfo $p $atomnum $var"
	1025	set entryvar($var) [eval $entrycmd($var)]
	1026	$item config -fg black -state normal -bg white
	1027	}
	1028	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
	1029	foreach item $expgui(anisolabels) {
	1030	# $item config -fg grey
	1031	$item config -fg beige
	1032	}
	1033	foreach item [lrange $expgui(anisoentry) 1 end] \
	1034	var {U22 U33 U12 U13 U23} {
	1035	set entrycmd($var) ""
	1036	set entryvar($var) ""
	1037	$item config -fg beige -bg beige -state disabled
	1038	}
	1039	if { $iOrA == "disable"} {
	1040	set entrycmd($var) ""
	1041	set entryvar($var) ""
	1042	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
	1043	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
	1044	} else {
	1045	set entrycmd(U11) "atominfo $p $atomnum Uiso"
	1046	set entryvar(U11) [eval $entrycmd(U11)]
	1047	$firstbox config -text Uiso -fg black
	1048	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
	1049	}
	1050	}
	1051	}
	1052
	1053	# need to think about multiple phases
	1054
	1055	# Procedure to display refinement flags
	1056	proc DisplayRefFlags { atomnum p} {
	1057	global expgui entryvar entrycmd
	1058	if {$atomnum == 0} {
	1059	foreach label $expgui(atomreflbl) {
	1060	$label config -fg beige
	1061	}
	1062	foreach entry $expgui(atomref) {
	1063	$entry config -state disabled -fg beige -bg beige
	1064	}
	1065	return
	1066	}
	1067	foreach label $expgui(atomreflbl) {
	1068	$label config -fg black
	1069	}
	1070	foreach entry $expgui(atomref) {
	1071	$entry config -state normal -fg black -bg beige
	1072	}
	1073	foreach var {xref uref fref xdamp udamp fdamp} {
	1074	set entrycmd($var) "atominfo $p [list $atomnum] $var"
	1075	set entryvar($var) [eval $entrycmd($var)]
	1076	}
	1077	}
	1078
	1079	# Procedure to display an atom in the atom edit boxes
	1080	proc DisplayAtom { atomnum p} {
	1081	global expgui entryvar entrycmd
	1082	if {$atomnum == 0} {
	1083	foreach label $expgui(atomlabels) {
	1084	$label config -fg beige
	1085	}
	1086	foreach entry $expgui(atomentry) {
	1087	$entry config -state disabled -fg beige -bg beige
	1088	}
	1089	return
	1090	}
	1091	foreach label $expgui(atomlabels) {
	1092	$label config -fg black
	1093	}
	1094	foreach entry $expgui(atomentry) {
	1095	$entry config -state normal -fg black -bg white
	1096	}
	1097	foreach var {x y z label frac } {
	1098	set entrycmd($var) "atominfo $p $atomnum $var"
	1099	set entryvar($var) [eval $entrycmd($var)]
	1100	}
	1101	}
	1102
[234]	1103	# make a histogram box; used in MakeHistPane,
	1104	proc MakeHistBox {frm} {
	1105	global expgui
	1106	grid [label $frm.mode -text "Select a Histogram" \
	1107	-bg beige -anchor center] \
	1108	-row 0 -column 0 -columnspan 2 -sticky ew
	1109	bind $frm.mode <Button-1> {
	1110	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
	1111	set expgui(globalmode) [lindex \
	1112	"$expgui(AllowedHistSelectModes) \
	1113	$expgui(AllowedHistSelectModes)" [incr i]]
	1114	sethistlist
	1115	}
	1116	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
	1117	grid [listbox $frm.title -height 1 -relief flat \
	1118	-exportselection 0 \
	1119	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
	1120	grid [listbox $frm.lbox -height 10 -width 25 \
	1121	-exportselection 0 \
	1122	-font $expgui(histfont) \
	1123	-xscrollcommand "$frm.x set" \
	1124	-yscrollcommand "$frm.y set" \
	1125	] -row 2 -column 0 -sticky news
	1126	lappend expgui(HistSelectList) $frm
	1127	grid [scrollbar $frm.x -orient horizontal \
	1128	-command "move2boxes \" $frm.title $frm.lbox \" "
	1129	] -row 3 -column 0 -sticky ew
	1130	grid [scrollbar $frm.y \
	1131	-command "$frm.lbox yview"] \
	1132	-row 2 -column 1 -sticky ns
	1133	grid columnconfigure $frm 0 -weight 1
	1134	grid rowconfigure $frm 2 -weight 1
	1135	}
	1136
[10]	1137	# update the histogram list
	1138	# to do: show histogram ref flags?
	1139	proc sethistlist {} {
	1140	global expgui expmap
[234]	1141	array set lbl {
	1142	1 "Select 1 or more\nTOF Histograms"
	1143	2 "Select 1 or more\nCW Neutron Histograms"
	1144	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
	1145	4 "Select 1 or more\nmonochromatic X-ray Histograms"
	1146	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
	1147	6 "Select 1 or more of\n any type Histograms"
	1148	}
[10]	1149	foreach lbox $expgui(HistSelectList) {
	1150	$lbox.title delete 0 end
	1151	$lbox.lbox delete 0 end
	1152	if {$expgui(globalmode) != 0} {
	1153	$lbox.lbox config -selectmode extended
[234]	1154	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
[10]	1155	} else {
	1156	$lbox.lbox config -selectmode browse
[234]	1157	$lbox.mode config -text "Select a histogram" -bg beige
[10]	1158	}
	1159	}
	1160	# disable the unallowed pages in all mode
	1161	if {$expgui(globalmode) == 6} {
	1162	foreach pair $expgui(GlobalModeAllDisable) {
	1163	if {$expgui(pagenow) == [lindex $pair 0]} {
[118]	1164	RaisePage lsFrame
[10]	1165	}
	1166	eval [lindex $pair 1] -state disabled
	1167	}
	1168	} else {
	1169	foreach pair $expgui(GlobalModeAllDisable) {
	1170	eval [lindex $pair 1] -state normal
	1171	}
	1172	}
[20]	1173	set histlist {}
[10]	1174	if {$expgui(hsorttype) == "type"} {
	1175	# sort on histogram type
	1176	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	1177	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
	1178	}
	1179	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
	1180	} elseif {$expgui(hsorttype) == "number"} {
	1181	# sort on histogram number
	1182	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	1183	lappend histlist "$h $h"
	1184	}
	1185	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
	1186	} elseif {$expgui(hsorttype) == "bank"} {
	1187	# sort on original bank number
	1188	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	1189	lappend histlist "$h [histinfo $h bank]"
	1190	}
	1191	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
	1192	} elseif {$expgui(hsorttype) == "angle"} {
	1193	# sort on wavelength (CW) or angle (E disp.)
	1194	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	1195	if {[string range $expmap(htype_$h) 2 2] == "T"} {
	1196	set det [format %8.2f [histinfo $h tofangle]]
	1197	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
	1198	set det [format %8.5f [histinfo $h lam1]]
	1199	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
	1200	set det [format %8.2f [histinfo $h lam1]]
	1201	} else {
	1202	set det {}
	1203	}
	1204	lappend histlist "$h $det"
	1205	}
	1206	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
	1207	}
[20]	1208
[10]	1209	# title field needs to match longest title
	1210	foreach lbox $expgui(HistSelectList) {
	1211	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
	1212	"h#" \
	1213	type \
	1214	bank \
	1215	"ang/wave" \
	1216	" title" \
	1217	]
	1218	}
	1219	foreach tuple $expmap(histlistboxcontents) {
	1220	set h [lindex $tuple 0]
	1221
	1222	if {$expgui(globalmode) == 1} {
	1223	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
	1224	} elseif {$expgui(globalmode) == 2} {
	1225	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
	1226	} elseif {$expgui(globalmode) == 3} {
	1227	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
	1228	[histinfo $h lam2] == 0.0} continue
	1229	} elseif {$expgui(globalmode) == 4} {
	1230	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
	1231	[histinfo $h lam2] != 0.0} continue
	1232	} elseif {$expgui(globalmode) == 5} {
	1233	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
	1234	}
	1235
	1236	if {[string range $expmap(htype_$h) 2 2] == "T"} {
	1237	set det [format %8.2f [histinfo $h tofangle]]
	1238	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
	1239	set det [format %8.5f [histinfo $h lam1]]
	1240	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
	1241	set det [format %8.2f [histinfo $h lam1]]
	1242	} else {
	1243	set det {}
	1244	}
	1245	foreach lbox $expgui(HistSelectList) {
	1246	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
	1247	$h \
	1248	[string range $expmap(htype_$h) 1 2] \
	1249	[histinfo $h bank] \
	1250	$det \
	1251	[string range [histinfo $h title] 0 66] \
	1252	]
	1253	}
	1254	}
[238]	1255	UpdateCurrentPage
	1256	}
	1257
	1258	proc UpdateCurrentPage {} {
	1259	global expgui
[10]	1260	foreach set $expgui(frameactionlist) {
[238]	1261	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
[10]	1262	}
	1263	}
	1264
	1265	#-----------------------------------------------------------------------
	1266	# ----------- draw Histogram page
	1267	#-----------------------------------------------------------------------
	1268	proc DisplayHistogram {} {
	1269	global expgui entrycmd entryvar expmap
	1270
[112]	1271	# trap if more than one histogram is selected unless global mode
	1272	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
	1273	set expgui(curhist) [lindex $expgui(curhist) 0]
	1274	}
	1275
[10]	1276	# display the selected histograms
	1277	$expgui(histFrame).hs.lbox selection clear 0 end
	1278	foreach h $expgui(curhist) {
	1279	$expgui(histFrame).hs.lbox selection set $h
	1280	}
	1281
	1282	# disable traces on entryvar for right now
	1283	set entrycmd(trace) 0
	1284
	1285	# get histogram list
	1286	set histlist {}
	1287	foreach item $expgui(curhist) {
	1288	lappend histlist [lindex $expmap(powderlist) $item]
	1289	}
[20]	1290	# must have at least one histogram selected here
	1291	if {[llength $histlist] == 0} {
	1292	set expgui(backtermlbl) ""
	1293	set expgui(backtypelbl) ""
	1294	foreach var {bref bdamp} {
	1295	set entrycmd($var) ""
	1296	set entryvar($var) ""
	1297	}
	1298	$expgui(histFrame).top.txt config -text "No Selected Histograms"
	1299	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
	1300	set expgui(bkglbl) ""
[152]	1301	eval destroy [winfo children $expgui(diffBox)]
[20]	1302	set entrycmd(trace) 1
	1303	return
	1304	}
	1305
[10]	1306	if {$expgui(globalmode) != 0} {
	1307	set expgui(backtermlbl) ""
	1308	set expgui(backtypelbl) ""
[14]	1309	foreach var {bref bdamp} {
[10]	1310	set entrycmd($var) "histinfo [list $histlist] $var"
	1311	set entryvar($var) [histinfo [lindex $histlist 0] $var]
	1312	}
	1313	} else {
	1314	set hist $histlist
	1315	set terms [histinfo $hist backterms]
	1316	set expgui(backtermlbl) "($terms terms)"
	1317	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
[14]	1318	foreach var {bref bdamp} {
[10]	1319	set entrycmd($var) "histinfo $hist $var"
	1320	set entryvar($var) [eval $entrycmd($var)]
	1321	}
	1322	}
[14]	1323	# Top box
[262]	1324	if $expgui(haveBW) {
	1325	catch {destroy $expgui(histFrame).pflag}
	1326	}
[10]	1327	if {$expgui(globalmode) != 0} {
	1328	$expgui(histFrame).top.txt config \
	1329	-text "Selected Histograms: [CompressList $histlist]"
	1330	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
	1331	set expgui(bkglbl) "Globally Edit Background"
	1332	} else {
	1333	grid forget $expgui(histFrame).top
	1334	set expgui(bkglbl) "Edit Background"
[262]	1335	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
[250]	1336	TitleFrame $expgui(histFrame).pflag \
	1337	-borderwidth 4 -side left -relief groove \
	1338	-text "Phase Flags"
	1339	set expgui(pflag) [$expgui(histFrame).pflag getframe]
	1340	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
	1341	grid rowconfigure $expgui(histFrame) 2 -minsize 35
	1342	foreach p $expmap(phaselist) {
	1343	pack [checkbutton $expgui(pflag).$p \
	1344	-command "GetPhaseFlags $hist" \
	1345	-variable expgui(pflag$p) -text $p] -side left
	1346	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
	1347	set expgui(pflag$p) 0
	1348	} else {
	1349	set expgui(pflag$p) 1
	1350	}
	1351	}
	1352	}
[10]	1353	}
	1354
	1355	# diffractometer constants
	1356	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
	1357	wref pref dcref daref ratref ttref zref } {
	1358	set entrycmd($var) "histinfo [list $histlist] $var"
	1359	set entryvar($var) [histinfo [lindex $histlist 0] $var]
	1360	}
	1361
[152]	1362	eval destroy [winfo children $expgui(diffBox)]
[10]	1363	if {$expgui(globalmode) == 0} {
	1364	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
	1365	#------
	1366	# TOF \|
	1367	#------
	1368	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
	1369	-column 1 -row 1
	1370	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
	1371	-column 2 -row 1
	1372	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
	1373	-column 3 -row 1 -sticky w
	1374	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1375	-width 15 ] -column 4 -row 1
	1376	#
	1377	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
	1378	-column 1 -row 2
	1379	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
	1380	-column 2 -row 2
	1381	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
	1382	-column 3 -row 2
	1383	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
	1384	-width 15 ] -column 4 -row 2
	1385	#
	1386	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1387	-column 3 -row 3
	1388	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1389	-width 15 ] -column 4 -row 3
	1390	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1391	-column 1 -row 3 -sticky w
	1392	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1393	-variable entryvar(zref) ] -column 2 -row 3
	1394	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
	1395	#---------------
	1396	# CW - neutron \|
	1397	#---------------
	1398	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1399	-column 1 -row 1
	1400	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1401	-column 2 -row 1
	1402	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
	1403	-column 3 -row 1 -sticky w
	1404	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1405	-width 15 ] -column 4 -row 1
	1406	#
	1407	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1408	-column 1 -row 3 -sticky w
	1409	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1410	-variable entryvar(zref) ] -column 2 -row 3
	1411	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1412	-column 3 -row 3
	1413	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1414	-width 15 ] -column 4 -row 3
	1415	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
	1416	[histinfo $hist lam2] == 0.0} {
	1417	#--------------------------
	1418	# CW - x-ray 1 wavelength \|
	1419	#--------------------------
	1420	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1421	-column 1 -row 1
	1422	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1423	-column 2 -row 1
	1424	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
	1425	-column 3 -row 1 -sticky w
	1426	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1427	-width 15 ] -column 4 -row 1
	1428	#
	1429	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1430	-column 1 -row 3 -sticky w
	1431	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1432	-variable entryvar(zref) ] -column 2 -row 3
	1433	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1434	-column 3 -row 3
	1435	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1436	-width 15 ] -column 4 -row 3
	1437	#
	1438	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1439	-column 1 -row 4 -sticky w
	1440	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1441	-variable entryvar(pref) ] -column 2 -row 4
	1442	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
	1443	-column 3 -row 4
	1444	grid [ entry $expgui(diffBox).eDCpola \
	1445	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
	1446	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
	1447	-column 5 -row 4
	1448	grid [ entry $expgui(diffBox).eDCipola -width 2 \
	1449	-textvariable entryvar(ipola)] -column 6 -row 4
	1450	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
	1451	#---------------------------
	1452	# CW - x-ray 2 wavelengths \|
	1453	#---------------------------
	1454	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
	1455	-column 3 -row 1 -sticky w
	1456	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1457	-width 15 ] -column 4 -row 1
	1458	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
	1459	-width 15 ] -column 5 -row 1
	1460	#
	1461	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
	1462	-column 1 -row 2 -sticky w
	1463	grid [ checkbutton $expgui(diffBox).rfDCrref \
	1464	-variable entryvar(ratref) ] -column 2 -row 2
	1465	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
	1466	-column 3 -row 2
	1467	grid [ entry $expgui(diffBox).eDCkratio \
	1468	-textvariable entryvar(kratio) \
	1469	-width 15 ] -column 4 -row 2
	1470	#
	1471	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1472	-column 3 -row 3
	1473	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1474	-width 15 ] -column 4 -row 3
	1475	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1476	-column 1 -row 3 -sticky w
	1477	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1478	-variable entryvar(zref) ] -column 2 -row 3
	1479	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1480	-column 1 -row 4 -sticky w
	1481	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1482	-variable entryvar(pref) ] -column 2 -row 4
	1483	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
	1484	-column 3 -row 4
	1485	grid [ entry $expgui(diffBox).eDCpola \
	1486	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
	1487	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
	1488	-column 5 -row 4
	1489	grid [ entry $expgui(diffBox).eDCipola -width 2 \
	1490	-textvariable entryvar(ipola)] -column 6 -row 4
	1491	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
	1492	#-------------
	1493	# ED - x-ray \|
	1494	#-------------
	1495	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
	1496	-column 1 -row 1
	1497	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
	1498	-column 2 -row 1
	1499	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
	1500	-column 3 -row 1 -sticky w
	1501	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1502	-width 15 ] -column 4 -row 1
	1503	#
	1504	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1505	-column 1 -row 4 -sticky w
	1506	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1507	-variable entryvar(pref) ] -column 2 -row 4
	1508	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
	1509	-column 3 -row 4
	1510	grid [ entry $expgui(diffBox).eDCpola \
	1511	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
	1512	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
	1513	-column 5 -row 4
	1514	grid [ entry $expgui(diffBox).eDCipola -width 2 \
	1515	-textvariable entryvar(ipola)] -column 6 -row 4
	1516	}
	1517	} elseif {$expgui(globalmode) == 1} {
	1518	#-------------
	1519	# Global TOF \|
	1520	#-------------
	1521	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
	1522	-column 1 -row 1
	1523	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
	1524	-column 2 -row 1
	1525	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
	1526	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
	1527	#
	1528	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
	1529	-column 1 -row 2
	1530	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
	1531	-column 2 -row 2
	1532	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
	1533	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
	1534	#
	1535	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1536	-column 1 -row 3 -sticky w
	1537	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1538	-variable entryvar(zref) ] -column 2 -row 3
	1539	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
	1540	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
	1541	} elseif {$expgui(globalmode) == 2} {
	1542	#--------------------
	1543	# Global CW neutron \|
	1544	#--------------------
	1545	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1546	-column 1 -row 1
	1547	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1548	-column 2 -row 1
	1549	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
	1550	-command "editglobalparm histinfo lam1 Wavelength"] \
	1551	-column 3 -row 1
	1552	#
	1553	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1554	-column 1 -row 3 -sticky w
	1555	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1556	-variable entryvar(zref) ] -column 2 -row 3
	1557	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
	1558	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
	1559	} elseif {$expgui(globalmode) == 4} {
	1560	#----------------------
	1561	# Global CW mono xray \|
	1562	#----------------------
	1563	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1564	-column 1 -row 1
	1565	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1566	-column 2 -row 1
	1567	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
	1568	-command "editglobalparm histinfo lam1 Wavelength"] \
	1569	-column 3 -row 1
	1570	#
	1571	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1572	-column 1 -row 3 -sticky w
	1573	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1574	-variable entryvar(zref) ] -column 2 -row 3
	1575	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
	1576	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
	1577	#
	1578	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1579	-column 1 -row 4 -sticky w
	1580	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1581	-variable entryvar(pref) ] -column 2 -row 4
	1582	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
	1583	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
	1584	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
	1585	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
	1586	} elseif {$expgui(globalmode) == 3} {
	1587	#------------------------
	1588	# Global alpha 1,2 xray \|
	1589	#------------------------
	1590	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
	1591	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
	1592	-column 3 -row 1
	1593	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
	1594	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
	1595	-column 4 -row 1
	1596	#
	1597	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
	1598	-column 1 -row 3 -sticky w
	1599	grid [ checkbutton $expgui(diffBox).rfDCratref \
	1600	-variable entryvar(ratref) ] -column 2 -row 3
	1601	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
	1602	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
	1603	-column 3 -row 3
	1604	#
	1605	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1606	-column 1 -row 3 -sticky w
	1607	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1608	-variable entryvar(zref) ] -column 2 -row 3
	1609	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
	1610	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
	1611	#
	1612	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1613	-column 1 -row 4 -sticky w
	1614	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1615	-variable entryvar(pref) ] -column 2 -row 4
	1616	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
	1617	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
	1618	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
	1619	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
	1620	} elseif {$expgui(globalmode) == 5} {
	1621	#-----------------
	1622	# Global ED xray \|
	1623	#-----------------
	1624	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
	1625	-column 1 -row 1
	1626	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
	1627	-column 2 -row 1
	1628	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
	1629	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
	1630	-column 3 -row 1
	1631	#
	1632	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1633	-column 1 -row 4 -sticky w
	1634	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1635	-variable entryvar(pref) ] -column 2 -row 4
	1636	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
	1637	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
	1638	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
	1639	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
	1640	}
	1641	if {$expgui(globalmode) == 0} {
	1642	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
	1643	-columnspan 2 -sticky e
	1644	} else {
	1645	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
	1646	-columnspan 2 -sticky e
	1647	}
	1648	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
	1649	-column 1 -row 1
	1650	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
	1651	grid $expgui(diffBox).d.om -column 2 -row 1
	1652	grid columnconfigure $expgui(diffBox) 9 -weight 1
	1653	grid columnconfigure $expgui(diffBox) 0 -weight 1
	1654	update idletasks
	1655	# enable traces on entryvar now
	1656	set entrycmd(trace) 1
	1657	}
	1658
[255]	1659	# this gets the phase flags as set in the expgui(pflag*) elements
	1660	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
	1661	# accordingly using SetPhaseFlag
[250]	1662	proc GetPhaseFlags {hist} {
	1663	global expmap expgui
	1664	set plist {}
	1665	foreach p $expmap(phaselist) {
	1666	if {$expgui(pflag$p)} {lappend plist $p}
	1667	}
	1668	SetPhaseFlag $hist $plist
	1669	incr expgui(changed)
	1670	mapexp
	1671	}
	1672
[10]	1673	#-----------------------------------------------------------------------
[14]	1674	# populate the Scaling page
[10]	1675	#-----------------------------------------------------------------------
	1676	proc DisplayFrac {} {
	1677	global expgui entrycmd entryvar expmap
	1678
[112]	1679	# trap if more than one histogram is selected unless global mode
	1680	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
	1681	set expgui(curhist) [lindex $expgui(curhist) 0]
	1682	}
	1683
[10]	1684	# display the selected histograms
	1685	$expgui(fracFrame).hs.lbox selection clear 0 end
	1686	foreach h $expgui(curhist) {
	1687	$expgui(fracFrame).hs.lbox selection set $h
	1688	}
	1689
	1690	# disable traces on entryvar
	1691	set entrycmd(trace) 0
	1692
	1693	# get histogram list
	1694	set histlist {}
	1695	foreach item $expgui(curhist) {
	1696	lappend histlist [lindex $expmap(powderlist) $item]
	1697	}
	1698
[20]	1699	# must have at least one histogram selected here
	1700	if {[llength $histlist] == 0} {
	1701	foreach var {scale sref sdamp} {
	1702	set entrycmd($var) ""
	1703	set entryvar($var) ""
	1704	}
	1705	set parm [grid info $expgui(scaleBox).but1]
	1706	if {$parm != ""} {
	1707	grid forget $expgui(scaleBox).but1
	1708	eval grid $expgui(scaleBox).ent1 $parm
	1709	}
	1710	# destroy the contents of the frame
	1711	set phaseFractf1 $expgui(FracBox).f
[152]	1712	eval destroy [winfo children $phaseFractf1]
[20]	1713	# reenable traces on entryvar
	1714	set entrycmd(trace) 1
	1715	return
	1716	}
	1717
[14]	1718	#--------------
	1719	# Scale factor
	1720	#--------------
	1721	if {$expgui(globalmode) != 0} {
	1722	foreach var {scale sref sdamp} {
	1723	set entrycmd($var) "histinfo [list $histlist] $var"
	1724	set entryvar($var) [histinfo [lindex $histlist 0] $var]
	1725	}
	1726	set parm [grid info $expgui(scaleBox).ent1]
	1727	if {$parm != ""} {
	1728	grid forget $expgui(scaleBox).ent1
	1729	eval grid $expgui(scaleBox).but1 $parm
	1730	}
	1731	} else {
	1732	set hist $histlist
	1733	foreach var {scale sref sdamp} {
	1734	set entrycmd($var) "histinfo $hist $var"
	1735	set entryvar($var) [eval $entrycmd($var)]
	1736	}
	1737	set parm [grid info $expgui(scaleBox).but1]
	1738	if {$parm != ""} {
	1739	grid forget $expgui(scaleBox).but1
	1740	eval grid $expgui(scaleBox).ent1 $parm
	1741	}
	1742	}
	1743
	1744	#----------------
	1745	# Phase Fractions
	1746	#----------------
	1747	set phaseFractf1 $expgui(FracBox).f
[10]	1748	# destroy the contents of the frame
[152]	1749	eval destroy [winfo children $phaseFractf1]
[10]	1750	if {$expgui(globalmode) != 0} {
[133]	1751	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
[14]	1752	} else {
[133]	1753	set txt "Phase Fractions"
[10]	1754	}
[133]	1755	if $expgui(haveBW) {
	1756	$expgui(fracFrame).f1.phaseFrac configure -text $txt
	1757	} else {
	1758	grid [label $phaseFractf1.txt -anchor center -text $txt] \
	1759	-column 0 -row 0 -sticky news
	1760	}
[10]	1761	# Create the frame inside the canvas, One frame for each Phase.
	1762	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
	1763	foreach hist $histlist {
	1764	foreach i $expmap(phaselist_$hist) {
	1765	lappend phasehistlist($i) $hist
	1766	}
	1767	}
	1768	foreach i {1 2 3 4 5 6 7 8 9} {
	1769	if {[llength $phasehistlist($i)] == 0} continue
	1770	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
[14]	1771	grid $framePF -column 0 -row $i -sticky ew
[10]	1772	# Label Heading for each phase.
	1773	if {$expgui(globalmode) != 0} {
	1774	grid [label $framePF.l1 \
[133]	1775	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
[10]	1776	-column 0 -row 0 -sticky nws
	1777	grid [button $framePF.but1 -text "Set Globally" \
	1778	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
	1779	[list $phasehistlist($i)] $i" \
	1780	] -column 1 -row 0
	1781	} else {
[133]	1782	grid [label $framePF.l1 -text "Phase $i"] \
[10]	1783	-column 0 -row 0 -sticky nws
	1784	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
	1785	-column 1 -row 0
	1786	}
	1787	set entrycmd(frac$i) "hapinfo $hist $i frac"
	1788	set entryvar(frac$i) [hapinfo $hist $i frac]
	1789	grid [label $framePF.l2 -text " Refine"] \
	1790	-column 2 -row 0 -sticky nws
	1791	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
	1792	-column 3 -row 0 -sticky nws
	1793	set entrycmd(frref$i) "hapinfo $hist $i frref"
	1794	set entryvar(frref$i) [hapinfo $hist $i frref]
	1795	grid [label $framePF.l3 -text " Damping"] \
	1796	-column 4 -row 0 -sticky nws
	1797	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
	1798	0 1 2 3 4 5 6 7 8 9
	1799	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
	1800	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
	1801	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
	1802	}
[14]	1803	# resize the scroll window to match the actual
[10]	1804	update idletasks
[14]	1805	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
	1806	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
	1807	update idletasks
[10]	1808	# enable traces on entryvar now
	1809	set entrycmd(trace) 1
	1810	}
	1811
	1812	#-----------------------------------------------------------------------
	1813	# display the profile page
	1814	#-----------------------------------------------------------------------
	1815	proc DisplayProfile {} {
	1816	global expgui entrycmd entryvar expmap
[112]	1817
	1818	# trap if more than one histogram is selected unless global mode
	1819	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
	1820	set expgui(curhist) [lindex $expgui(curhist) 0]
	1821	}
	1822	# display the selected histograms
[10]	1823	$expgui(profFrame).hs.lbox selection clear 0 end
	1824	foreach h $expgui(curhist) {
	1825	$expgui(profFrame).hs.lbox selection set $h
	1826	}
	1827
	1828	# destroy the contents of the frame
[152]	1829	eval destroy [winfo children $expgui(ProfileBox).f]
[10]	1830
	1831	if {$expgui(globalmode) == 0} {
[20]	1832	# must have at least one histogram selected here
	1833	if {[llength $expgui(curhist)] == 0} return
[21]	1834	# disable traces on entryvar for right now
	1835	set entrycmd(trace) 0
[10]	1836	set hist [lindex $expmap(powderlist) $expgui(curhist)]
[97]	1837	# no defined histograms?
	1838	if {$hist == ""} return
[10]	1839	# Create one frame for each Phase.
	1840	set ind -1
	1841	set htype [string range $expmap(htype_$hist) 2 2]
	1842	foreach i $expmap(phaselist_$hist) {
	1843	incr ind
	1844	# Label Heading for each phase.
	1845	set ptype [string trim [hapinfo $hist $i proftype]]
[133]	1846	if {$expgui(haveBW)} {
	1847	grid [TitleFrame $expgui(ProfileBox).f.$i \
	1848	-text "Hist $hist -- Phase $i (type $ptype)" \
	1849	-relief groove -bd 2] \
	1850	-column 0 -row $ind -sticky ew
	1851	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
	1852	grid [frame $ProfileFrame.1] \
	1853	-column 0 -row 0 -columnspan 10
	1854	pack [label $ProfileFrame.1.l \
	1855	-text Damping]\
	1856	-side left
	1857	} else {
	1858	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
	1859	-column 0 -row $ind -sticky ew
	1860	set ProfileFrame $expgui(ProfileBox).f.$i
	1861	grid [frame $ProfileFrame.1] \
	1862	-column 0 -row 0 -columnspan 10 -sticky ew
	1863	pack [label $ProfileFrame.1.l \
	1864	-text "Phase $i (type $ptype) Damping"]\
	1865	-side left
	1866	}
	1867	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
[10]	1868	0 1 2 3 4 5 6 7 8 9
	1869	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
	1870	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
[133]	1871	pack $ProfileFrame.1.tkOptDamp -side left
	1872	pack [label $ProfileFrame.1.l1 \
[10]	1873	-text " Peak cutoff"]\
	1874	-side left
[133]	1875	pack [entry $ProfileFrame.1.e1 \
[10]	1876	-width 10 -textvariable entryvar(pcut_$i)]\
	1877	-side left
	1878	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
	1879	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
[234]	1880
	1881	pack [button $ProfileFrame.1.b1 \
	1882	-text "Change Type" \
	1883	-command "ChangeProfileType $hist $i"]\
	1884	-side left
[10]	1885
	1886	set col -1
	1887	set row 1
	1888	set nterms [hapinfo $hist $i profterms]
[234]	1889	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
[10]	1890	for { set num 1 } { $num <= $nterms } { incr num } {
	1891	set term {}
	1892	catch {set term [lindex $lbls $num]}
	1893	if {$term == ""} {set term $num}
	1894	incr col
[133]	1895	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
[10]	1896	-row $row -column $col
	1897	incr col
[133]	1898	grid [checkbutton $ProfileFrame.ref${num}_${i} \
[10]	1899	-variable entryvar(pref${num}_$i)] -row $row -column $col
	1900	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
	1901	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
	1902	incr col
[133]	1903	grid [entry $ProfileFrame.ent${num}_${i} \
[10]	1904	-textvariable entryvar(pterm${num}_$i)\
[28]	1905	-width 12] -row $row -column $col
[10]	1906	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
	1907	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
	1908	if {$col > 6} {set col -1; incr row}
	1909	}
	1910	}
	1911	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
	1912	} else {
	1913	# get histogram list
	1914	set histlist {}
	1915	foreach item $expgui(curhist) {
	1916	lappend histlist [lindex $expmap(powderlist) $item]
	1917	}
[20]	1918	# must have at least one histogram selected here
	1919	if {[llength $histlist] == 0} return
[21]	1920	# disable traces on entryvar for right now
	1921	set entrycmd(trace) 0
[112]	1922	# loop through histograms & phases, set up an array by phase & profile type
	1923	catch {unset prtyparray histarray phasearray}
[10]	1924	foreach hist $histlist {
[112]	1925	foreach phase $expmap(phaselist_$hist) {
	1926	set prtyp [string trim [hapinfo $hist $phase proftype]]
	1927	set key ${prtyp}_$phase
	1928	lappend prtyparray($key) $hist
	1929	lappend histarray($key) $hist
	1930	lappend phasearray($key) $phase
[10]	1931	}
	1932	}
	1933
	1934	set ptype ""
[112]	1935	set i -1
	1936	# loop over all combined phases and profile types, sorted 1st by profile number
	1937	foreach key [lsort [array names prtyparray]] {
[10]	1938	# split key
[112]	1939	scan $key %d_%d prftyp p
	1940
	1941	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
	1942	set ptype $prftyp
	1943	set curhistlist $histarray($key)
	1944	set curphaslist $phasearray($key)
	1945
	1946	set hist1 [lindex $curhistlist 0]
	1947	set phase1 [lindex $curphaslist 0]
	1948	set nterms [hapinfo $hist1 $phase1 profterms]
	1949	set htype [string range $expmap(htype_$hist1) 2 2]
[234]	1950	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
[112]	1951	# Create a frame for this type
	1952	incr i
	1953	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
[133]	1954	if {$expgui(haveBW)} {
	1955	grid [TitleFrame $expgui(ProfileBox).f.$i \
[234]	1956	-text "(type $ptype)" \
[133]	1957	-relief groove -bd 2] \
	1958	-column 0 -row $i -sticky ew
	1959	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
	1960	grid [frame $ProfileFrame.0] \
	1961	-column 0 -row 0 -columnspan 20 -sticky ew
	1962	} else {
	1963	grid [frame $expgui(ProfileBox).f.$i \
	1964	-relief groove -bd 4] \
	1965	-column 0 -row $i -sticky ew
	1966	set ProfileFrame $expgui(ProfileBox).f.$i
	1967	grid [frame $ProfileFrame.0] \
	1968	-column 0 -row 0 -columnspan 20 -sticky ew
	1969	grid [label $ProfileFrame.0.0 \
	1970	-text "Profile Type $ptype "] -row 0 -column 0
	1971	}
	1972	grid [label $ProfileFrame.0.1 \
[112]	1973	-anchor w] -row 0 -column 1
[133]	1974	grid [frame $ProfileFrame.1] \
[10]	1975	-column 0 -row 1 -columnspan 20 -sticky ew
[133]	1976	grid [label $ProfileFrame.1.2 \
[10]	1977	-text "Damping"] -row 0 -column 2
[133]	1978	tk_optionMenu $ProfileFrame.1.tkOptDamp \
[112]	1979	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
[133]	1980	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
	1981	grid [button $ProfileFrame.1.edit \
[112]	1982	-text "Global Edit"] -row 0 -column 4 -sticky w
	1983	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
[234]	1984	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
	1985	-row 0 -column 5 -sticky w
[10]	1986	set col -1
	1987	set row 2
	1988	for { set num 1 } { $num <= $nterms } { incr num } {
	1989	set term {}
	1990	catch {set term [lindex $lbls $num]}
	1991	if {$term == ""} {set term $num}
	1992	incr col
[133]	1993	grid [label $ProfileFrame.l${num}_${i} \
[112]	1994	-text "$term"] -row $row -column $col
[10]	1995	incr col
[133]	1996	grid [checkbutton $ProfileFrame.ref${num}_${i} \
[10]	1997	-variable entryvar(pref${num}_$i)] \
	1998	-row $row -column $col
	1999	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
	2000	if {$col > 10} {set col -1; incr row}
	2001	}
	2002	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
[112]	2003	} else {
	2004	# add to the current entry
	2005	eval lappend curhistlist $histarray($key)
	2006	eval lappend curphaslist $phasearray($key)
	2007	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
[10]	2008	}
[133]	2009	$ProfileFrame.0.1 config -text $boxtitle
	2010	$ProfileFrame.1.edit config -command "\
[112]	2011	EditProfile \"\n$boxtitle\" \
	2012	[list $curhistlist] \
	2013	[list $curphaslist]"
[234]	2014	$ProfileFrame.1.b1 config -command "ChangeProfileType \
	2015	[list $curhistlist] [list $curphaslist]"
[112]	2016	set entrycmd(pdamp_$i) "hapinfo \
	2017	[list $curhistlist] \
	2018	[list $curphaslist] pdamp"
	2019	for { set num 1 } { $num <= $nterms } { incr num } {
	2020	set entrycmd(pref${num}_$i) "hapinfo \
	2021	[list $curhistlist] \
	2022	[list $curphaslist] pref$num"
	2023	}
[10]	2024	}
	2025	}
	2026
	2027	# resize the scroll window to match the actual
	2028	update idletasks
	2029	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
	2030	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
	2031	update idletasks
[133]	2032	ResizeNotebook
[10]	2033	# enable traces on entryvar now
	2034	set entrycmd(trace) 1
	2035	}
	2036
	2037	# process the bit settings in the print options
	2038	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
	2039	proc printsetting {bitnum "action get" "value {}"} {
	2040	global entryvar expgui
	2041	if {$action == "get"} {
	2042	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
	2043	} elseif $value {
	2044	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
	2045	} else {
	2046	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
	2047	}
	2048	expinfo print set $newval
	2049	set expgui(printopt) "Print Options ([expinfo print])"
	2050	}
[20]	2051
	2052	# need to respond to mouse presses -- control variable associated with extract Fobs
	2053	# and set the LeBail extraction flags
	2054	proc SetupExtractHist {} {
	2055	global expgui entrycmd entryvar expmap
	2056
	2057	# display the selected histograms
	2058	$expgui(lsFrame).hs.lbox selection clear 0 end
	2059	foreach h $expgui(curhist) {
	2060	$expgui(lsFrame).hs.lbox selection set $h
	2061	}
	2062
	2063	# get histogram list
	2064	set histlist {}
	2065	foreach item $expgui(curhist) {
[30]	2066	set hist [lindex $expmap(powderlist) $item]
	2067	if {$hist != ""} {lappend histlist $hist}
[20]	2068	}
	2069	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
[30]	2070	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
[20]	2071	foreach phase {1 2 3 4 5 6 7 8 9} {
[133]	2072	$expgui(FobsExtractFrame).l$phase config -fg grey
[20]	2073	set expgui(Fextract$phase) {}
[28]	2074	foreach item $expgui(ExtractSettingsRadiobuttons) {
	2075	${item}$phase config -state disabled -bd 1
[20]	2076	}
	2077	}
	2078	} elseif {[llength $histlist] == 1} {
[21]	2079	# disable traces on entryvar
	2080	set entrycmd(trace) 0
[20]	2081	set entryvar(fobsextract) [histinfo $histlist foextract]
	2082	foreach phase {1 2 3 4 5 6 7 8 9} {
	2083	# is the phase present?
	2084	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
[133]	2085	$expgui(FobsExtractFrame).l$phase config -fg grey
[20]	2086	set expgui(Fextract$phase) {}
[28]	2087	foreach item $expgui(ExtractSettingsRadiobuttons) {
	2088	${item}$phase config -state disabled -bd 1
[20]	2089	}
	2090	} else {
[133]	2091	$expgui(FobsExtractFrame).l$phase config -fg black
[28]	2092	foreach item $expgui(ExtractSettingsRadiobuttons) {
	2093	${item}$phase config -state normal -bd 2
[20]	2094	}
	2095	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
	2096	}
	2097	}
	2098	} elseif {[llength $histlist] > 1} {
[21]	2099	# disable traces on entryvar
	2100	set entrycmd(trace) 0
[20]	2101	# multiple histograms need phases in any histogram
	2102	foreach phase {1 2 3 4 5 6 7 8 9} {
	2103	set gotphase($phase) 0
	2104	}
	2105	foreach hist $histlist {
	2106	foreach phase $expmap(phaselist_$hist) {
	2107	set gotphase($phase) 1
	2108	}
	2109	}
	2110	foreach phase {1 2 3 4 5 6 7 8 9} {
	2111	set expgui(Fextract$phase) {}
	2112	if $gotphase($phase) {
[133]	2113	$expgui(FobsExtractFrame).l$phase config -fg black
[28]	2114	foreach item $expgui(ExtractSettingsRadiobuttons) {
	2115	${item}$phase config -state normal -bd 2
[20]	2116	}
	2117	} else {
[133]	2118	$expgui(FobsExtractFrame).l$phase config -fg grey
[28]	2119	foreach item $expgui(ExtractSettingsRadiobuttons) {
	2120	${item}$phase config -state disabled -bd 1
[20]	2121	}
	2122	}
	2123	}
	2124	}
	2125	# reenable traces
	2126	set entrycmd(trace) 1
	2127	}
	2128	# respond to a change in the fobs extraction method for a phase
	2129	# force the main extraction flag on, if fobs extraction is selected for any phase
	2130	proc HistExtractSet {phase} {
	2131	global expgui entryvar expmap
	2132	foreach item $expgui(curhist) {
	2133	lappend histlist [lindex $expmap(powderlist) $item]
	2134	}
	2135	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
[48]	2136	incr expgui(changed)
[20]	2137	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
	2138	}
[10]	2139	#---------------------------- Global Edit Functions ------------------------
	2140	proc editbackground {} {
	2141	global expgui expmap entrycmd
	2142	set histlist {}
	2143	foreach n $expgui(curhist) {
	2144	lappend histlist [lindex $expmap(powderlist) $n]
	2145	}
[20]	2146	if {[llength $histlist] == 0} return
	2147
	2148	set w .back
	2149	catch {destroy $w}
	2150	toplevel $w -bg beige
[10]	2151	if {$expgui(globalmode) != 0} {
[250]	2152	wm title $w "Global Edit Background"
	2153	} else {
[10]	2154	wm title $w "Edit Background"
	2155	}
	2156
	2157	pack [frame $w.0 -bd 6 -relief groove -bg beige \
	2158	] -side top -expand yes -fill both
	2159	if {[llength $histlist] > 1} {
	2160	grid [label $w.0.a \
	2161	-text "Setting background terms for histograms [CompressList $histlist]" \
	2162	-bg beige] -row 0 -column 0 -columnspan 10
	2163	} else {
	2164	grid [label $w.0.a \
	2165	-text "Setting background terms for histogram $histlist" \
	2166	-bg beige] -row 0 -column 0 -columnspan 10
	2167	}
	2168	set hist [lindex $histlist 0]
	2169	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
	2170
	2171	# disable traces on expgui(backtype) & expgui(backterms) now
	2172	set entrycmd(trace) 0
	2173
	2174	# number of terms
	2175	set expgui(backtype) [histinfo $hist backtype]
	2176	set expgui(orig_backtype) $expgui(backtype)
	2177	set expgui(prev_backtype) $expgui(backtype)
[250]	2178	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
	2179	$typemenu delete 0 end
	2180	foreach item {
	2181	"1 - Shifted Chebyshev"
	2182	"2 - Cosine Fourier series"
	2183	"3 - Radial distribution peaks"
	2184	"4 - Power series in Q**2n/n!"
	2185	"5 - Power series in n!/Q**2n"
	2186	"6 - Power series in Q2n/n! and n!/Q2n"
	2187	"7 - Linear interpolation function"
	2188	"8 - Reciprocal interpolation function"
	2189	} {
	2190	set val [lindex $item 0]
	2191	$typemenu insert end radiobutton -variable expgui(backtype) \
	2192	-label $item -value $val
	2193	}
	2194
[10]	2195	grid $w.0.type -row 1 -column 1
	2196	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
	2197
	2198	# function type
	2199	set expgui(backterms) [histinfo $hist backterms]
	2200	set expgui(orig_backterms) $expgui(backterms)
	2201	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
	2202	eval tk_optionMenu $w.0.terms expgui(backterms) $list
	2203	grid $w.0.terms -row 1 -column 3
	2204	# enable traces on expgui(backtype) & expgui(backterms) now
	2205	set entrycmd(trace) 1
	2206
	2207	#set background terms
	2208	for {set num 1 } { $num <= 36 } { incr num } {
	2209	set var "bterm$num"
	2210	set expgui($var) {}
	2211	set expgui(orig_$var) {}
	2212	}
	2213	if {[llength $histlist] == 1} {
	2214	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	2215	set var "bterm$num"
	2216	set expgui($var) [histinfo $histlist $var]
	2217	set expgui(orig_$var) $expgui($var)
	2218	}
	2219	}
	2220
	2221	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
	2222	-expand yes -fill both
	2223	ShowBackTerms $w.1
	2224
	2225	set expgui(temp) {}
	2226	pack [frame $w.b] -side top
	2227	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
	2228	pack [button $w.b.3 -text Quit \
	2229	-command "QuitEditBackground $w"] -side left
[93]	2230	bind $w <Return> "destroy $w"
	2231
[10]	2232	# force the window to stay on top
[100]	2233	putontop $w
[10]	2234
	2235	focus $w.b.2
	2236	tkwait window $w
[93]	2237	afterputontop
[10]	2238
	2239	if {$expgui(temp) != ""} return
	2240
	2241	if {$expgui(orig_backtype) != $expgui(backtype)} {
	2242	histinfo $histlist backtype set $expgui(backtype)
[48]	2243	incr expgui(changed)
[10]	2244	}
	2245	if {$expgui(orig_backterms) != $expgui(backterms)} {
	2246	histinfo $histlist backterms set $expgui(backterms)
[48]	2247	incr expgui(changed)
[10]	2248	}
	2249	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	2250	set var "bterm$num"
	2251	if {$expgui(orig_$var) != $expgui($var)} {
	2252	histinfo $histlist $var set $expgui($var)
[48]	2253	incr expgui(changed)
[10]	2254	}
	2255	}
	2256
	2257	if {$expgui(globalmode) == 0} {
	2258	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
	2259	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
	2260	}
	2261	}
	2262
	2263	trace variable expgui(backterms) w ChangeBackTerms
	2264	proc ChangeBackTerms {a b c} {
	2265	global entrycmd expgui
	2266	if !$entrycmd(trace) return
	2267	ShowBackTerms .back.1
	2268	}
	2269
	2270	trace variable expgui(backtype) w ChangeBackType
	2271	# reset the terms to 1, 0, 0... when the number of terms increase
	2272	proc ChangeBackType {a b c} {
	2273	global entrycmd expgui
	2274	if !$entrycmd(trace) return
	2275	if {$expgui(prev_backtype) == $expgui(backtype)} return
	2276	set expgui(prev_backtype) $expgui(backtype)
	2277	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	2278	set var "bterm$num"
	2279	if {$num == 1} {
	2280	set expgui($var) 1.0
	2281	} else {
	2282	set expgui($var) 0.0
	2283	}
	2284	}
	2285	}
	2286
	2287	proc ShowBackTerms {w } {
	2288	global expgui expmap
	2289	# destroy the contents of the frame
[152]	2290	eval destroy [winfo children $w]
[10]	2291	set histlist {}
	2292	foreach n $expgui(curhist) {
	2293	lappend histlist [lindex $expmap(powderlist) $n]
	2294	}
	2295	set widgetsPerRow 4
	2296	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
	2297	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
	2298	set var "bterm$num"
	2299	grid [label $w.l$num -text $num -bg beige] \
	2300	-row $rows -column $cols -sticky nes
	2301	incr cols
	2302	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
	2303	] -row $rows -column $cols -sticky news
	2304	incr cols
	2305	}
	2306	}
	2307	}
	2308
	2309	proc QuitEditBackground {w} {
	2310	global expgui
	2311	# lets find out if anything changed
	2312	set changed 0
	2313	if {$expgui(orig_backtype) != $expgui(backtype)} {
	2314	set changed 1
	2315	}
	2316	if {$expgui(orig_backterms) != $expgui(backterms)} {
	2317	set changed 1
	2318	}
	2319	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	2320	set var "bterm$num"
	2321	if {$expgui(orig_$var) != $expgui($var)} {
	2322	set changed 1
	2323	break
	2324	}
	2325	}
	2326	if $changed {
	2327	set decision [tk_dialog .changes "Abandon Changes" \
	2328	"You have made changes to the background. Ok to abandon changes?" \
	2329	warning 0 Abandon Keep]
	2330	if !$decision {
	2331	set expgui(temp) "Quit"
	2332	destroy $w
	2333	}
	2334	} else {
	2335	set expgui(temp) "Quit"
	2336	destroy $w
	2337	}
	2338	}
	2339
	2340	# this probably needs work
	2341	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
	2342	global expgui expmap
	2343	set w .global
	2344	catch {destroy $w}
	2345	toplevel $w -bg beige
	2346	wm title $w "Edit Global Parameter"
	2347	set expgui(temp) {}
	2348	if {[llength $histlist] == 0} {
	2349	set hist {}
	2350	foreach n $expgui(curhist) {
	2351	lappend hist [lindex $expmap(powderlist) $n]
	2352	}
	2353	} else {
	2354	set hist $histlist
	2355	}
	2356	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
	2357	-side top -expand yes -fill both
	2358	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
	2359	-bg beige] \
	2360	-row 0 -column 0 -columnspan 10
	2361	grid [entry $w.0.b -textvariable expgui(temp)] \
	2362	-row 1 -column 0
	2363
	2364
	2365	pack [frame $w.b] -side top
	2366	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
	2367	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
	2368	bind $w <Return> "destroy $w"
	2369
[93]	2370	# force the window to stay on top
	2371	putontop $w
[10]	2372	focus $w.b.2
	2373	tkwait window $w
[93]	2374	afterputontop
	2375
[10]	2376	if {$expgui(temp) != ""} {
	2377	foreach h $hist {
	2378	if {$cmd == "histinfo"} {
	2379	histinfo $h $variable set $expgui(temp)
[48]	2380	incr expgui(changed)
[10]	2381	if $expgui(debug) {
	2382	puts "histinfo $h $variable set $expgui(temp)"
	2383	}
	2384	} elseif {$cmd == "hapinfo"} {
	2385	hapinfo $h $phase $variable set $expgui(temp)
[48]	2386	incr expgui(changed)
[10]	2387	if $expgui(debug) {
	2388	puts "hapinfo $phase $h $variable set $expgui(temp)"
	2389	}
	2390	} else {
	2391	error "$cmd unimplemented"
	2392	}
	2393	}
	2394	}
	2395	}
	2396
	2397	proc EditProfile {title histlist phaselist} {
	2398	global expgui expmap entrycmd
	2399	set w .back
	2400	catch {destroy $w}
	2401	toplevel $w -bg beige
	2402	wm title $w "Global Edit Profile"
	2403	set hist [lindex $histlist 0]
	2404	set phase [lindex $phaselist 0]
	2405	set ptype [string trim [hapinfo $hist $phase proftype]]
	2406	set htype [string range $expmap(htype_$hist) 2 2]
	2407	set nterms [hapinfo $hist $phase profterms]
	2408
	2409	pack [frame $w.0 -bd 6 -relief groove -bg beige \
	2410	] -side top -expand yes -fill both
	2411	grid [label $w.0.a \
	2412	-text "Setting profile terms: $title" \
	2413	-bg beige] -row 0 -column 0 -columnspan 10
	2414	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
	2415	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
	2416	grid [entry $w.0.d -width 10 ] -row 1 -column 4
	2417	set entrylist {}
	2418	lappend entrylist "pcut $w.0.d"
	2419
	2420	set col -1
	2421	set row 1
[234]	2422	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
[10]	2423	pack [frame $w.1 -bd 6 -relief groove -bg beige \
	2424	] -side top -expand yes -fill both
	2425	for { set num 1 } { $num <= $nterms } { incr num } {
	2426	set term {}
	2427	catch {set term [lindex $lbls $num]}
	2428	if {$term == ""} {set term $num}
	2429	incr col
	2430	grid [label $w.1.l${num} -text "$term" -bg beige] \
	2431	-row $row -column $col
	2432	incr col
	2433	grid [entry $w.1.ent${num} \
	2434	-width 14] -row $row -column $col
	2435	lappend entrylist "pterm$num $w.1.ent${num}"
	2436	if {$col > 6} {set col -1; incr row}
	2437	}
	2438	pack [frame $w.b] -side top
	2439	pack [button $w.b.2 -text Set \
	2440	-command "SetEditProfile [list $entrylist] [list $phaselist] \
	2441	[list $histlist] $w"] -side left
	2442	pack [button $w.b.3 -text Quit \
	2443	-command "QuitEditProfile $w [list $entrylist]"] -side left
	2444	bind $w <Return> "destroy $w"
	2445
[93]	2446	# force the window to stay on top
	2447	putontop $w
[10]	2448	focus $w.b.2
	2449	tkwait window $w
[93]	2450	afterputontop
[10]	2451	}
	2452
	2453	proc SetEditProfile {entrylist phaselist histlist w} {
	2454	global expgui
	2455	foreach item $entrylist {
	2456	set value [ [lindex $item 1] get ]
	2457	if {$value != ""} {
	2458	hapinfo $histlist $phaselist [lindex $item 0] set $value
[48]	2459	incr expgui(changed)
[10]	2460	if $expgui(debug) {
	2461	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
	2462	}
	2463	}
	2464	}
	2465	destroy $w
	2466	}
	2467
	2468	proc QuitEditProfile {w entrylist} {
	2469	global expgui
	2470	# lets find out if anything changed
	2471	set changed 0
	2472	foreach item $entrylist {
	2473	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
	2474	}
	2475	if $changed {
	2476	set decision [tk_dialog .changes "Abandon Changes" \
	2477	"You have made changes to the Profile. Ok to abandon changes?" \
	2478	warning 0 Abandon Keep]
	2479	if !$decision {destroy $w}
	2480	} else {
	2481	destroy $w
	2482	}
	2483	}
	2484
	2485	##############################################################################
	2486	## #############################################
	2487	## END OF THE PROCEDURES SECTION #############################################
	2488	## #############################################
	2489	##############################################################################
	2490
	2491	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
	2492	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
	2493	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
	2494	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
	2495	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	2496	# A frame for menu items at top of display
	2497	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
	2498	# Pack the menu frame.
	2499	pack $expgui(fm) -fill x -side top -anchor n
	2500
[20]	2501	# create a button bar
	2502	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
	2503
[14]	2504	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
[10]	2505	# & LS controls
[238]	2506	# 0 name,
	2507	# 1 title
	2508	# 2 create command
	2509	# 3 raise command
	2510	# 4 disable page in global mode (0/1)
	2511
[133]	2512	if $expgui(haveBW) {
	2513	pack [NoteBook .n -bd 2] -expand yes -fill both
[238]	2514	# create an array element describing each notebook page
	2515	# element 0 -- pane name
	2516	# 1 -- Label on frame
	2517	# 2 -- initialization command
	2518	# 3 -- update command
	2519	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
	2520	# are selected in global mode, 0 otherwise
	2521	set expgui(notebookpagelist) {
	2522	{lsFrame "LS Controls" \
	2523	"" \
	2524	SetupExtractHist \
	2525	0}
	2526	{phaseFrame Phase \
	2527	"" \
	2528	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
	2529	0}
	2530	{histFrame Histogram \
	2531	MakeHistPane \
	2532	DisplayHistogram \
	2533	1}
	2534	{fracFrame Scaling \
	2535	MakeScalingPane \
	2536	DisplayFrac \
	2537	0}
	2538	{profFrame Profile \
	2539	MakeProfilePane \
	2540	DisplayProfile \
	2541	1}
	2542	{consFrame Constraints \
	2543	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
	2544	DisplayConstraintsPane \
	2545	0}
	2546	{orientFrame "MD Pref Orient" \
	2547	MakeOrientPane \
	2548	DisplayOrient \
	2549	0}
	2550	{odfFrame "SH Pref Orient" \
	2551	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
	2552	DisplayODFPane \
	2553	0}
	2554	}
	2555	foreach item $expgui(notebookpagelist) {
	2556	set frm [lindex $item 0]
	2557	set expgui($frm) [\
	2558	.n insert end $frm -text [lindex $item 1] \
	2559	-createcmd [lindex $item 2] \
	2560	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
[199]	2561
[238]	2562	# at this time expgui(frameactionlist) is generated
	2563	# from expgui(notebookpagelist), but in the future it might
	2564	# make sense to use expgui(notebookpagelist) directly
	2565	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
	2566
	2567	# panes to disable in global "all" mode
	2568	if {[lindex $item 4]} {
	2569	lappend expgui(GlobalModeAllDisable) \
	2570	"$frm \{.n itemconfigure $frm\}"
	2571	}
	2572	}
[10]	2573	} else {
[238]	2574	Notebook:create .n \
	2575	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
[118]	2576	pack .n -anchor w -fill both -expand yes
[199]	2577	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
	2578	orientFrame} \
	2579	page {"LS Controls" Phase Histogram Scaling Profile \
	2580	"MD Pref Orient"} {
[118]	2581	set expgui($item) [Notebook:frame .n $item]
	2582	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
[10]	2583	}
[16]	2584	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
[20]	2585	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
[10]	2586	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
	2587	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
	2588	lappend expgui(frameactionlist) "profFrame DisplayProfile"
[199]	2589	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
[118]	2590	set expgui(GlobalModeAllDisable) {}
	2591	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
	2592	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
[10]	2593	}
	2594
[118]	2595	# this is used to bring up the selected frame
[10]	2596	proc RaisePage {nextpage} {
	2597	global expgui
[133]	2598	if $expgui(haveBW) {
	2599	.n see $nextpage
[118]	2600	.n raise $nextpage
	2601	set expgui(pagenow) $nextpage
	2602	} else {
	2603	Notebook:raise .n $nextpage
	2604	InitPage $nextpage
	2605	}
	2606	}
[133]	2607	# this is only called when BWidget is not in use
[118]	2608	proc InitPage {nextpage} {
	2609	global expgui
[10]	2610	set expgui(pagenow) $nextpage
[238]	2611	UpdateCurrentPage
[10]	2612	}
[133]	2613	# resize the notebook to fit all the tabs and the largest page
	2614	proc ResizeNotebook {} {
	2615	global expgui
	2616	if {$expgui(haveBW)} {
	2617	.n compute_size
	2618	} else {
	2619	Notebook:resize .n
	2620	}
	2621	}
[118]	2622
[10]	2623	#----------------------------------------------------------------------------
[133]	2624	proc MakePhasePane {} {
	2625	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
	2626	global expgui
	2627	frame $expgui(phaseFrame).top
	2628	set frameLatt [frame $expgui(phaseFrame).frameLatt]
	2629	# This is a big frame in the Phase notebook pane to hold atomic data.
	2630	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
	2631	-relief raised -borderwidth 4 -bg beige]
	2632	# This is a frame just below the big frame: for edits
	2633	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
	2634	-relief raised -borderwidth 4 -bg beige]
[10]	2635
[133]	2636	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
	2637	grid $frameLatt -sticky news -row 2 -column 0
	2638	grid $fbig -sticky news -row 3 -column 0
	2639	# give extra space to the atoms box
	2640	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
	2641	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
	2642	grid $frame3 -sticky news -row 4 -column 0
	2643	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
	2644	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
	2645	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
	2646	# this is where the buttons will go
	2647	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
	2648
[255]	2649	grid [label $expgui(phaseFrame).top.lA -text title: \
[133]	2650	-fg blue ] -column 1 -row 0 -sticky e
	2651	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
	2652	-fg blue -width 45] -column 2 -row 0 -sticky e
	2653	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
	2654	# ------------- Lattice Parameter Box ------------------
	2655	set row 0
	2656	foreach col {2 4 6} var {a b c} lbl {a b c} {
	2657	grid [label $frameLatt.l$var -text $lbl] \
	2658	-column $col -row $row -padx 5 -sticky e
	2659	incr col
	2660	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
	2661	-column $col -row $row -padx 5
	2662	}
	2663	incr row
	2664	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
	2665	grid [label $frameLatt.l$var -text $lbl -font symbol] \
	2666	-column $col -row $row -padx 5 -sticky e
	2667	incr col
	2668	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
	2669	-column $col -row $row -padx 5
	2670	}
	2671
	2672	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
	2673	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
	2674	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
	2675	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
	2676	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
	2677	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
	2678	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
	2679	-column 1 -row 0 -rowspan 2
	2680	if [file executable $expgui(exptool)] {
[267]	2681	grid [button $frameLatt.newp -text Replace\nPhase \
	2682	-command MakeReplacePhaseBox] \
	2683	-column 0 -row 0 -rowspan 2 -sticky w
[133]	2684	}
	2685	grid columnconfig $frameLatt 1 -weight 1
	2686	grid columnconfig $frameLatt 0 -weight 1
	2687	#-------------- Begin Atom Coordinates Box ------------------------------
[199]	2688	grid [listbox $fbig.title -height 1 -relief flat \
[234]	2689	-exportselection 0 -bg lightgrey -fg black \
	2690	-selectforeground black -selectbackground lightgrey] \
[133]	2691	-row 0 -column 0 -sticky ew
	2692	set expgui(atomtitle) $fbig.title
[234]	2693	bind $expgui(atomtitle) <Button-1> {
[255]	2694	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
[234]	2695	incr i
[255]	2696	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
[234]	2697	DisplayAllAtoms
	2698	}
	2699	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
	2700
[133]	2701	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
	2702	grid [listbox $fbig.lbox -height 10 \
[199]	2703	-exportselection 0 \
[133]	2704	-xscrollcommand " $fbig.bscr set"\
	2705	-yscrollcommand " $fbig.rscr set"\
	2706	] -row 1 -column 0 -sticky news
	2707	set expgui(atomlistbox) $fbig.lbox
	2708	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
	2709	grid [scrollbar $fbig.bscr -orient horizontal \
	2710	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
	2711	] -row 2 -column 0 -sticky ew
	2712	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
	2713	] -row 1 -column 1 -sticky ns
	2714	# give extra space to the atoms box
	2715	grid columnconfigure $fbig 0 -weight 1
	2716	grid rowconfigure $fbig 1 -weight 1
	2717
	2718	# BIND mouse in editbox
	2719	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
	2720	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
	2721
	2722	#-------------- End Atoms Section ---------------------------------
[10]	2723
[133]	2724	# --------------------------- Begin Edit Box ------------------------
	2725	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
	2726	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
	2727	if [file executable $expgui(exptool)] {
[267]	2728	button $frame3.newa -text "Add New Atoms" \
[133]	2729	-command {MakeAddAtomsBox $expgui(curPhase)}
	2730	grid $frame3.newa -column 11 -row 0
	2731	}
[255]	2732	button [set expgui(atomxform) $frame3.xa] \
	2733	-command {MakeXformAtomsBox $expgui(curPhase)}
	2734	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
	2735
[133]	2736	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
	2737	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
	2738
	2739	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
	2740	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
	2741	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
	2742	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
	2743	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
	2744	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
	2745
	2746	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
	2747	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
	2748
	2749	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
	2750	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
	2751	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
	2752	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
	2753	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
	2754	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
	2755	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
	2756	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
	2757	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
[10]	2758
[133]	2759	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
	2760	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
	2761
	2762	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
	2763	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
	2764
	2765	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
	2766	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
	2767	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
	2768	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
	2769	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
	2770	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
	2771	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
	2772	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
	2773	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
	2774	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
	2775
	2776	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
	2777	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
	2778	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
	2779	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
	2780	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
	2781	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
	2782	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
	2783	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
	2784
	2785	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
	2786	grid $f3f31 -column 0 -row 7 -columnspan 12
	2787	set expgui(anisolabels) {}
	2788	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
	2789	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
	2790	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
	2791	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
	2792	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
	2793	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
	2794
	2795	set expgui(anisoentry) {}
	2796	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
	2797	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
	2798	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
	2799	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
	2800	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
	2801	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
	2802
	2803	set col 0
	2804	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
	2805	grid $item1 -column $col -row 0 -sticky nsw -pady 3
	2806	incr col
	2807	grid $item2 -column $col -row 0 -sticky nsw -pady 3
	2808	incr col
	2809	}
	2810	# --------------------------- End Edit Box -------------------------
	2811
	2812	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
	2813	# resize in case the pane needs more space
	2814	ResizeNotebook
[93]	2815	}
[10]	2816
	2817	proc move2boxes {boxlist args} {
	2818	foreach listbox $boxlist {
	2819	eval $listbox xview $args
	2820	}
	2821	}
	2822	#-----------------------------------------------------------------------------
[133]	2823	proc MakeHistPane {} {
	2824	#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
	2825	global expgui
[234]	2826
[133]	2827	grid columnconfigure $expgui(histFrame) 0 -weight 1
	2828	grid rowconfigure $expgui(histFrame) 1 -weight 1
	2829	grid rowconfigure $expgui(histFrame) 2 -weight 1
	2830	grid rowconfigure $expgui(histFrame) 3 -weight 1
[234]	2831
	2832	grid [frame $expgui(histFrame).hs] \
	2833	-column 0 -row 0 -rowspan 10 -sticky nsew
	2834	MakeHistBox $expgui(histFrame).hs
[133]	2835	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
[10]	2836	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
	2837	DisplayHistogram
	2838	}
[133]	2839	bind $expgui(histFrame).hs.lbox <Button-3> {
	2840	if $expgui(globalmode) {
	2841	$expgui(histFrame).hs.lbox selection set 0 end
	2842	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
	2843	DisplayHistogram
	2844	}
[10]	2845	}
[133]	2846
	2847	frame $expgui(histFrame).top -borderwidth 4 -relief groove
	2848	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
	2849	if $expgui(haveBW) {
	2850	foreach item {backBox diffBox} num {2 3} \
	2851	title {Background "Diffractometer Constants"} {
	2852	TitleFrame $expgui(histFrame).$item \
	2853	-borderwidth 4 -side left -relief groove -text $title
	2854	set expgui($item) [$expgui(histFrame).$item getframe]
	2855	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
	2856	grid rowconfigure $expgui(histFrame) $num -minsize 100
	2857	}
	2858	} else {
	2859	foreach item {backBox diffBox} num {1 2} \
	2860	title {Background "Diffractometer Constants"} {
	2861	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
	2862	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
	2863	set expgui($item) $expgui(histFrame).$item
	2864	grid [label $expgui(histFrame).$item.title -text $title] \
	2865	-row 0 -column 0 -columnspan 10 -sticky nw
	2866	}
[10]	2867	}
[133]	2868	if [file executable $expgui(exptool)] {
	2869	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
	2870	grid $expgui(histFrame).newh -column 1 -row 6
	2871	}
	2872
	2873	# BACKGROUND information.
	2874	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
	2875	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
	2876	grid [label $expgui(backBox).frm1.lBGType \
	2877	-textvariable expgui(backtypelbl)] \
	2878	-row 1 -column 0 -sticky nws -padx 2 -pady 3
	2879	grid [label $expgui(backBox).frm1.lBGTerms \
	2880	-textvariable expgui(backtermlbl)] \
	2881	-row 1 -column 1 -sticky nws -padx 2 -pady 3
	2882	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
	2883	-command editbackground] \
	2884	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
	2885	grid [frame $expgui(backBox).frm2 ] \
	2886	-row 1 -column 0 -columnspan 11 -sticky e
	2887	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
	2888	-row 2 -column 1 -sticky news -padx 4 -pady 3
	2889	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
	2890	-variable entryvar(bref) ] \
	2891	-row 2 -column 2 -sticky news -padx 4 -pady 3
	2892	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
	2893	-row 2 -column 3 -sticky w -padx 2 -pady 3
	2894	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
	2895	grid $expgui(backBox).frm2.om \
	2896	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
	2897	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
	2898	# insert the histograms & resize in case the pane needs more space
	2899	sethistlist
	2900	ResizeNotebook
[10]	2901	}
	2902	###############################################################################
[133]	2903	proc MakeScalingPane {} {
	2904	#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
	2905	global expgui
[234]	2906
[133]	2907	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
[234]	2908	MakeHistBox $expgui(fracFrame).hs
[133]	2909	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
[10]	2910	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
	2911	DisplayFrac
	2912	}
[133]	2913	bind $expgui(fracFrame).hs.lbox <Button-3> {
	2914	if $expgui(globalmode) {
	2915	$expgui(fracFrame).hs.lbox selection set 0 end
	2916	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
	2917	DisplayFrac
	2918	}
	2919	}
[234]	2920
[133]	2921	pack [frame $expgui(fracFrame).f1] -fill both -expand true
	2922	# Create a large canvas area containing a frame for each phase in the data set.
	2923	# The canvas and vertical scrollbar are inside a frame called f1
	2924	if $expgui(haveBW) {
	2925	TitleFrame $expgui(fracFrame).f1.scaleBox \
	2926	-borderwidth 4 -text "Scale Factor"
	2927	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
[14]	2928	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
[133]	2929	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
	2930	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
	2931	-row 1 -column 0 -sticky nws -padx 2 -pady 3
	2932	} else {
	2933	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
	2934	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
[14]	2935	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
[133]	2936	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
	2937	-row 1 -column 0 -sticky nws -padx 2 -pady 3
	2938	}
	2939	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
	2940	-row 1 -column 1 -sticky ew -padx 4 -pady 3
	2941	button $expgui(scaleBox).but1 -text "Set Globally" \
	2942	-command "editglobalparm histinfo scale {Scale Factor}"
[10]	2943
[133]	2944	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
	2945	-row 1 -column 2 -sticky nws -padx 2 -pady 3
	2946	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
	2947	-row 1 -column 3 -sticky news -padx 4 -pady 3
	2948	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
	2949	-row 1 -column 4 -sticky w -padx 2 -pady 3
	2950	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
	2951	grid $expgui(scaleBox).om \
	2952	-row 1 -column 5 -sticky news -padx 4 -pady 3
	2953	grid columnconfigure $expgui(scaleBox) 6 -weight 1
	2954
	2955	if $expgui(haveBW) {
	2956	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
	2957	-text "Phase Fractions" -relief groove] \
	2958	-sticky news -row 1 -column 0 -columnspan 2
	2959	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
	2960	} else {
	2961	set PhaseFractBox $expgui(fracFrame).f1
	2962	}
	2963	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
	2964	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
	2965
	2966	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
	2967	-scrollregion {0 0 5000 500} \
	2968	-yscrollcommand "$PhaseFractBox.yscroll set" \
	2969	-width 500 -height 350 -bg lightgrey]] \
	2970	-sticky news -row 1 -column 0
	2971	grid [scrollbar $PhaseFractBox.yscroll \
	2972	-command "$expgui(FracBox) yview" \
	2973	-orient vertical] \
	2974	-sticky ns -row 1 -column 1
	2975	frame $expgui(FracBox).f -bd 0
	2976	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
[14]	2977
[133]	2978	# the rest of the page is created in DisplayFrac
[14]	2979
[133]	2980	# insert the histograms & resize in case the pane needs more space
	2981	sethistlist
	2982	ResizeNotebook
	2983	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
	2984	}
[10]	2985	###############################################################################
[133]	2986	proc MakeProfilePane {} {
	2987	global expgui
	2988	# 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
	2989	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
[234]	2990	MakeHistBox $expgui(profFrame).hs
[133]	2991	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
[10]	2992	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
	2993	DisplayProfile
	2994	}
[133]	2995	bind $expgui(profFrame).hs.lbox <Button-3> {
	2996	if $expgui(globalmode) {
	2997	$expgui(profFrame).hs.lbox selection set 0 end
	2998	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
	2999	DisplayProfile
	3000	}
	3001	}
	3002
	3003	# Create a large canvas area containing a frame for each phase in the data set.
	3004	# The canvas and vertical scrollbar are inside a frame called f1
	3005	pack [frame $expgui(profFrame).f1] -fill both -expand true
	3006	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
	3007	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
	3008	-sticky news -row 0 -column 0
	3009	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
	3010	-sticky ns -row 0 -column 1
	3011
	3012	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
	3013	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
	3014
	3015	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
	3016	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
	3017	frame $expgui(ProfileBox).f -bd 0
	3018	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
	3019
	3020	# insert the histograms & resize in case the pane needs more space
	3021	sethistlist
	3022	ResizeNotebook
	3023	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
[10]	3024	}
	3025
	3026	##############################################################################
	3027	# 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
	3028	array set printopts {
	3029	0 "Print the reciprocal metric tensor changes"
	3030	1 "Print the correlation matrix"
	3031	2 "Print the Least-Squares matrices and vectors"
	3032	4 "Print the linear constraint matrices"
	3033	5 "Print the applied shifts and shift factors"
	3034	6 "Print the reciprocal metric tensor Var-Covar terms"
	3035	7 "Print all parameters for each cycle"
	3036	8 "Print summary shift/esd data after last cycle"
	3037	9 "Print zero/unit pole figure constraint terms"
	3038	}
	3039	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
[234]	3040	MakeHistBox $expgui(lsFrame).hs
[10]	3041	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
	3042	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
	3043	SetupExtractHist
	3044	}
	3045	bind $expgui(lsFrame).hs.lbox <Button-3> {
	3046	if $expgui(globalmode) {
	3047	$expgui(lsFrame).hs.lbox selection set 0 end
	3048	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
	3049	SetupExtractHist
	3050	}
	3051	}
	3052
	3053	pack [frame $expgui(lsFrame).f1] -fill both -expand true
	3054	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
[20]	3055	set row 0
	3056	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
[133]	3057	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
[16]	3058	-textvariable expgui(last_History)] \
[20]	3059	-row $row -column 1 -columnspan 5 -sticky w
	3060	incr row
	3061	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
	3062	grid [entry $expgui(lsFrame).f1.tit2 \
	3063	-textvariable entryvar(title) -width 48] \
	3064	-row $row -column 1 -columnspan 5 -sticky w
	3065	set entrycmd(title) "expinfo title"
	3066
	3067	incr row
[16]	3068	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
[20]	3069	-row $row -column 0 -columnspan 2 -pady 3
[10]	3070	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
	3071	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
	3072	-textvariable entryvar(cycles)] -row 0 -column 1
	3073	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
	3074	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
[20]	3075	] -row $row -column 2
[10]	3076	menu $expgui(lsFrame).f1.lprint.menu
	3077	foreach num [lsort [array names printopts]] {
	3078	$expgui(lsFrame).f1.lprint.menu add checkbutton \
	3079	-label "$printopts($num) ([expr int(pow(2,$num))])"\
	3080	-variable entryvar(printopt$num)
	3081	}
[133]	3082	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
	3083	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
	3084	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
[20]	3085	incr row
[133]	3086	if {$expgui(haveBW)} {
	3087	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
	3088	-text "Reflection Intensity Extraction" \
	3089	] -row $row -column 0 -columnspan 6
	3090	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
	3091	} else {
	3092	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
	3093	] -row $row -column 0 -columnspan 6
	3094	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
	3095	}
	3096	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
	3097	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
	3098	-row 0 -column 8 -columnspan 3 -sticky e
	3099	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
	3100	-row 0 -column 2
	3101	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
	3102	-variable entryvar(fobsextract)] -row 0 -column 3
[10]	3103	foreach num {1 2 3 4 5 6 7 8 9} {
[133]	3104	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
	3105	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
[10]	3106	-command "HistExtractSet $num" \
	3107	-variable expgui(Fextract$num) -value 0] \
	3108	-row 2 -column $num
[133]	3109	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
[10]	3110	-command "HistExtractSet $num" \
	3111	-variable expgui(Fextract$num) -value 1] \
	3112	-row 3 -column $num
[133]	3113	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
	3114	-command "HistExtractSet $num" \
	3115	-variable expgui(Fextract$num) -value 2] \
	3116	-row 4 -column $num
[10]	3117	}
[133]	3118	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
	3119	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
	3120	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
[28]	3121
[133]	3122	grid [label $expgui(FobsExtractFrame).t \
	3123	-text "Extraction\nMethod" -anchor c] \
	3124	-column 0 -row 0 -rowspan 2 -sticky s
	3125	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
	3126	-column 1 -row 0 -columnspan 7 -sticky sw
	3127	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
	3128	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
	3129	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
	3130	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
	3131	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
[10]	3132	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
[20]	3133	#-------------------------------------------------------------------------
	3134	#-------------------------------------------------------------------------
[10]	3135	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
	3136
	3137	#---- file menu button
[139]	3138	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
[10]	3139	menu $expgui(fm).file.menu
	3140	if $expgui(debug) {
[139]	3141	$expgui(fm).file.menu add command -label "Reset" -command "reset"
[10]	3142	}
[250]	3143	if {$tcl_platform(platform) != "macintosh"} {
	3144	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
	3145	}
[10]	3146	$expgui(fm).file.menu add command -label "Save" -underline 0 \
[20]	3147	-command savearchiveexp
[139]	3148	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
	3149	$expgui(fm).file.menu add command -label "Save As" \
[10]	3150	-command "SaveAsFile"
[139]	3151	$expgui(fm).file.menu add command -label "Reread .EXP file" \
[20]	3152	-command {rereadexp $expgui(expfile)}
[10]	3153
	3154	#---- help menu button
[139]	3155	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
[10]	3156	menu $expgui(fm).help.menu
[139]	3157	$expgui(fm).help.menu add command -command showhelp -underline 0 \
	3158	-label "Help on Command"
	3159	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
	3160	$expgui(fm).help.menu add command -label "About..." -command About
[10]	3161
	3162	#---- options menu button
[139]	3163	menubutton $expgui(fm).option -text Options \
[16]	3164	-menu $expgui(fm).option.menu
	3165	menu $expgui(fm).option.menu
	3166
[250]	3167	if {$tcl_platform(platform) != "macintosh"} {
	3168	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
	3169	-variable expgui(archive)
	3170	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
	3171	-variable expgui(disaglSeparateBox)
	3172	}
[16]	3173	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
[10]	3174	-label "Sort atoms by"
	3175
	3176	set expgui(asorttype) number
[16]	3177	menu $expgui(fm).option.menu.asort
[255]	3178	foreach opt {number type mult x y z occupancy} {
[234]	3179	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
	3180	-label $opt -value $opt -variable expgui(asorttype)
	3181	}
[10]	3182
[16]	3183	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
[10]	3184	-label "Sort histograms by"
	3185
	3186	set expgui(hsorttype) number
[16]	3187	menu $expgui(fm).option.menu.hsort
	3188	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	3189	-label number -value number -variable expgui(hsorttype)
[16]	3190	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	3191	-label "Histogram type" -value type -variable expgui(hsorttype)
[16]	3192	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	3193	-label "Bank #" -value bank -variable expgui(hsorttype)
[16]	3194	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	3195	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
	3196
[16]	3197	#---- Global mode menu button
	3198	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
[28]	3199	-label "Multiple hist. selection"
[16]	3200	menu $expgui(fm).option.menu.editmode
	3201	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
[139]	3202	-variable expgui(globalmode) -value 0 \
[16]	3203	-command sethistlist
	3204	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
[139]	3205	-variable expgui(globalmode) -value 6 \
[16]	3206	-command sethistlist
	3207	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
[139]	3208	-variable expgui(globalmode) -value 1 \
[16]	3209	-command sethistlist
	3210	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
[139]	3211	-variable expgui(globalmode) -value 2 \
[16]	3212	-command sethistlist
	3213	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
[139]	3214	-variable expgui(globalmode) -value 3 \
[16]	3215	-command sethistlist
	3216	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
[139]	3217	-variable expgui(globalmode) -value 4 \
[16]	3218	-command sethistlist
	3219	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
[139]	3220	-variable expgui(globalmode) -value 5 \
[16]	3221	-command sethistlist
[112]	3222	$expgui(fm).option.menu.editmode add separator
	3223	$expgui(fm).option.menu.editmode add checkbutton \
	3224	-label "Group phases together" \
	3225	-variable expgui(globalphasemode) \
	3226	-command sethistlist
[16]	3227
[112]	3228	set expgui(globalmode) 0
	3229	set expgui(globalphasemode) 1
	3230
[250]	3231	if {$tcl_platform(platform) == "unix"} {
[21]	3232	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
	3233	-variable env(GSASBACKSPACE)
[123]	3234	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
	3235	-variable expgui(autoexpload)
[21]	3236	}
[93]	3237
[139]	3238	$expgui(fm).option.menu add command -label "Save Options" \
[28]	3239	-command "SaveOptions"
[21]	3240
[16]	3241	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
[20]	3242
[250]	3243	if {$tcl_platform(platform) != "macintosh"} {
	3244	foreach menu $expgui(menunames) {
	3245	set m [string tolower $menu]
	3246	pack [menubutton $expgui(fm).$m -text $menu \
	3247	-menu $expgui(fm).$m.menu] -side left
	3248	menu $expgui(fm).$m.menu
	3249	}
[20]	3250	}
[10]	3251	pack $expgui(fm).help -side right -in $expgui(fm)
	3252
[250]	3253	if {$tcl_platform(platform) != "macintosh"} {
	3254	# add the commands in expgui_menulist
	3255	foreach menu [array names expgui_menulist ] {
	3256	foreach cmd $expgui_menulist($menu) {
	3257	set action {}
	3258	set opt {}
	3259	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
	3260	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
	3261	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
	3262	if {$action != "" && $action != "-"} {
	3263	eval $expgui(fm).$menu.menu add command \
	3264	-label $cmd $opt -command [list [subst $action]]
	3265	if {[lindex $opt 0] == "-underline"} {
	3266	catch {
	3267	set num [lindex $opt 1]
	3268	set key [string range $cmd $num $num]
	3269	bind . <Alt-[string tolower $key]> [subst $action]
	3270	bind . <Alt-[string toupper $key]> [subst $action]
	3271	}
[139]	3272	}
	3273	}
[20]	3274	}
	3275	}
	3276	}
	3277	# setup command help
	3278	foreach cmd [array names expgui_cmdlist] {
	3279	set help {}
	3280	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
	3281	if {$help == ""} {
	3282	if {$expgui(debug)} {puts "no help for $cmd"}
	3283	} else {
	3284	# remove
	3285	regsub -all \x09 $help " " help
	3286	# preserve blank lines
	3287	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
	3288	regsub -all \x0A $help " " help
	3289	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
	3290	regsub -all " +" $help " " help
	3291	set expgui_helplist($cmd) [string trim $help]
	3292	}
	3293	}
[250]	3294	if {$tcl_platform(platform) != "macintosh"} {
	3295	# set up button bar
	3296	foreach cmd $expgui(buttonlist) {
	3297	set action {}
	3298	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
	3299	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
	3300	if {$action != ""} {
	3301	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
	3302	-text $cmd -command [list [subst $action]]] -side left
	3303	}
[20]	3304	}
	3305	}
	3306
	3307	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
[139]	3308	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
[10]	3309	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
	3310
[199]	3311	# make the phase pane
	3312	MakePhasePane
	3313	# and the rest of the windows w/o BWidget
	3314	if !$expgui(haveBW) {
	3315	MakeHistPane
	3316	MakeScalingPane
	3317	MakeProfilePane
	3318	}
[20]	3319
[10]	3320	# handle indirect exits
	3321	wm protocol . WM_DELETE_WINDOW catchQuit
	3322	bind . <Control-c> catchQuit
	3323
[28]	3324	set expgui(curPhase) ""
	3325	set expgui(pagenow) ""
	3326	set expgui(curhist) {}
[63]	3327	set expgui(selectedatomlist) {}
[28]	3328
[20]	3329	loadexp $expgui(expfile)
[28]	3330
	3331	# select the 1st phase
	3332	SelectOnePhase [lindex $expmap(phaselist) 0]
	3333	# select the first histogram in the list by default (if there are any)
[71]	3334	if {[llength $expmap(histlistboxcontents)] > 0} {
	3335	set expgui(curhist) 0
	3336	} else {
	3337	set expgui(curhist) {}
	3338	}
[28]	3339
[118]	3340	# execute any local commands for final initialization
	3341	eval $expgui(initstring)
	3342
	3343	# resize the notebook to fit all the tabs and the largest page
[133]	3344	ResizeNotebook
	3345
[118]	3346	RaisePage lsFrame
[117]	3347	if {[CountHistory] > 100} {
	3348	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
	3349	}

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