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source: trunk/expgui @ 16

Last change on this file since 16 was 16, checked in by toby, 11 years ago
# on 1999/01/01 18:34:49, toby did: add tcl_version < 8.0 error add history display & tracking update title when modified move lsPage to 1st page change option menu name & merge in Global mode menu add loop to flag external changes to current exp file (afterawhile & whenidle) move Archive Exp to options
Property rcs:author set to `toby` Property rcs:date set to `1999/01/01 18:34:49` Property rcs:lines set to `+136 -65` Property rcs:rev set to `1.4` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 100.5 KB

Rev	Line
[10]	1	#!/usr/local/bin/wish
	2	set expgui(Revision) {$Revision: 16 $ $Date: 2009-12-04 22:58:57 +0000 (Fri, 04 Dec 2009) $}
	3
	4	# to do:
	5	#
	6	# global background editing & profile work differently: should both
	7	# start out blank with a "load from option"?
	8	#
[14]	9	# access to GENLES & EXPEDT (merge in tkGSAS)
	10	#
	11	# look for external changes to the EXP file and warn/reload
	12	# add a mtime to loadexp and chain a routine to check the mtime for a new value
	13	# reset the mtime in SaveAsFile
	14	#
[10]	15	# idea:
	16	# a scroll list for all histogram refinement flags ; click on takes you to the
	17	# appropriate menu.
	18	#
	19	# to allow global access on phase page
	20	# change buttons from radio to multiple
	21	# -- or display all 9 cell flag/damps and all atoms
	22	# make editMultipleRecords work with multiple phases, also cell flag/damp
	23	# blank cell entries
	24	# add phase to atom number in listing
	25	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
	26
[16]	27	if {$tcl_version < 8.0} {
	28	tk_dialog .expFileErrorMsg "Version Error" \
	29	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
	30	exit
	31	}
	32
[10]	33	if {$argv != ""} {
	34	set expfile [lindex $argv 0]
	35	if {[string toupper [file extension $expfile]] != ".EXP"} {
	36	append expfile ".EXP"
	37	}
	38	} else {
	39	# windows needs this update or focus gets screwed up after tk_getOpenFile
	40	update
	41	set expfile [tk_getOpenFile -defaultextension .EXP \
	42	-filetypes {{"GSAS Experiment" ".EXP"}} -parent .]
	43	}
	44	if {$expfile == ""} exit
	45	if ![file exists $expfile] {
	46	tk_dialog .expFileErrorMsg "File Open Error" \
	47	"File $expfile does not exist" error 0 "Exit"
	48	exit
	49	}
	50
	51	set expgui(debug) 0
	52	catch {if $env(DEBUG) {set expgui(debug) 1}}
	53	#set expgui(debug) 1
	54
	55	set expgui(havetix) 1
	56	# for debugging non-Tix version set environment variable NOTIX
	57	catch {if $env(NOTIX) {set expgui(havetix) 0}}
	58	if $expgui(havetix) {
	59	if [catch {package require Tix}] {set expgui(havetix) 0}
	60	}
	61	# default is archive = on
	62	set expgui(archive) 1
	63	#----------------------------------------------------------------
	64	# where are we?
	65	set expgui(script) [info script]
	66	# translate links -- go six levels deep
	67	foreach i {1 2 3 4 5 6} {
	68	if {[file type $expgui(script)] == "link"} {
	69	set link [file readlink $expgui(script)]
	70	if { [file pathtype $link] == "absolute" } {
	71	h set expgui(script) $link
	72	} {
	73	set expgui(script) [file dirname $expgui(script)]/$link
	74	}
	75	} else {
	76	break
	77	}
	78	}
	79	set expgui(scriptdir) [file dirname $expgui(script) ]
	80	#----------------------------------------------------------------
	81	# fetch EXP routines
	82	source [file join $expgui(scriptdir) readexp.tcl]
	83
	84	# constants
	85	set expgui(coordfont) "--courier-bold-r-normal--12-"
	86	set expgui(histfont) "--courier-bold-r-normal--12-"
	87
	88	#=============================================================================
	89	# Store names of profile terms.
	90	array set expgui {
	91	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
	92	sig-2 rsca s1ec s2ec }
	93	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
	94	gam-2 switch ptec stec difc difa zero }
	95	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
	96	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
	97	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
	98	rstr rsta rsca eta}
	99	prof-C-1 {CW-type U V W asym F1 F2 }
	100	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
	101	L11 L22 L33 L12 L13 L23 }
	102	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
	103	L11 L22 L33 L12 L13 L23 }
	104	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
	105	}
	106	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	107	#
	108	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	109	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
	110	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	111	# load exp file and set up dialogs
	112	proc loadexp {expfile} {
	113	global expgui expmap entryvar entrycmd
	114	global exparray
	115	catch {
	116	unset exparray
	117	unset expmap
	118	}
	119	expload $expfile
	120	set expgui(changed) 0
	121	mapexp
[16]	122	set expgui(expModifiedLast) [file mtime $expfile]
	123	set expgui(last_History) [string trim [lindex [exphistory last] 1]]
[10]	124	# set the window/icon title
	125	wm title . $expfile
[16]	126	set expgui(titleunchanged) 1
[10]	127	wm iconname . [file tail $expfile]
	128
	129	set expgui(curPhase) ""
	130	# set the number of phases on the phase page
	131	setphases
	132
	133	set expgui(pagenow) ""
	134
	135	# update the histogram list
	136	sethistlist
	137
	138	if !$expgui(havetix) {
[16]	139	RaisePage lsFrame
[10]	140	} else {
[16]	141	.n raise lsPane
	142	set expgui(pagenow) lsFrame
[10]	143	}
	144	# select the 1st phase
	145	SelectOnePhase [lindex $expmap(phaselist) 0]
	146	# disable the "global options" that don't make sense
	147	foreach num {1 2 3 4 5} {
	148	set flag($num) 0
	149	}
	150	foreach h $expmap(powderlist) {
	151	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
	152	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
	153	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
	154	[histinfo $h lam2] != 0.0} {set flag(3) 1}
	155	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
	156	[histinfo $h lam2] == 0.0} {set flag(4) 1}
	157	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
	158	}
	159	foreach num {1 2 3 4 5} \
	160	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
	161	"Energy Disp Xray"} {
	162	if $flag($num) {
[16]	163	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
[10]	164	} else {
[16]	165	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
[10]	166	}
	167	}
[12]	168	# disable traces on entryvar until we are ready
	169	set entrycmd(trace) 0
	170
[10]	171	# least squares page
	172	set entryvar(cycles) [expinfo cycles]
	173	set entrycmd(cycles) "expinfo cycles"
	174	set expgui(globalmode) 0
	175	set expgui(printopt) "Print Options ([expinfo print])"
	176	global printopts
	177	foreach num [array names printopts] {
	178	set entrycmd(printopt$num) "printsetting $num"
	179	set entryvar(printopt$num) [printsetting $num]
	180	}
[12]	181	# enable traces on entryvar
	182	set entrycmd(trace) 1
[16]	183	# start checking for external changes
	184	afterawhile
[10]	185	}
	186
	187	# called to reread the .EXP file -- use after another program
	188	# has changed the experiment file
	189	proc rereadexp {expfile} {
	190	global expgui
	191	if $expgui(changed) {
	192	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
	193	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
	194	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
	195	switch $decision {
[14]	196	0 { savearchiveexp $expfile }
	197	1 { }
	198	2 { return }
[10]	199	}
	200	}
	201	loadexp $expfile
	202	}
	203
	204	proc SaveAsFile {} {
	205	global expfile expgui
	206	set newexpfile [tk_getSaveFile -defaultextension .EXP \
	207	-filetypes {{"GSAS Experiment" ".EXP"}} -parent . \
	208	-initialdir [file dirname $expfile] \
	209	-initialfile [file tail $expfile] ]
	210	if {$newexpfile == ""} return
	211	set expfile $newexpfile
	212	expwrite $expfile
	213	set expgui(changed) 0
[16]	214	set expgui(expModifiedLast) [file mtime $expfile]
	215	set expgui(last_History) [string trim [lindex [exphistory last] 1]]
[10]	216	# set the window/icon title
	217	wm title . $expfile
[16]	218	set expgui(titleunchanged) 1
[10]	219	wm iconname . [file tail $expfile]
	220	}
	221
	222	# called to read a different .EXP file
	223	proc readnewexp {} {
	224	global expgui expfile
	225	if $expgui(changed) {
	226	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
	227	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
	228	{} 0 "Save and read" "Read without Save" "Cancel read command"]
	229	switch $decision {
[14]	230	0 { savearchiveexp $expfile }
	231	1 { }
	232	2 { return }
[10]	233	}
	234	}
	235	set newexpfile [tk_getOpenFile -defaultextension .EXP \
	236	-filetypes {{"GSAS Experiment" ".EXP"}} -parent . \
	237	-initialdir [file dirname $expfile] ]
	238	if {$newexpfile == ""} return
	239	set expfile $newexpfile
	240	loadexp $expfile
	241	}
	242
	243	#------------- set up data read/write layer ----------------------
	244	# trace routine on entryvar
	245	proc entvartrace {array elem action} {
	246	global expgui entrycmd entryvar
	247	if !$entrycmd(trace) return
	248
	249	catch {
	250	incr expgui(changed)
	251	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
	252	if {$entrycmd($elem) == ""} return
	253	if [catch {
	254	eval $entrycmd($elem) set $entryvar($elem)
	255	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
	256	after idle {DisplayAllAtoms noreset}
	257	}
	258	} errmsg] {puts "entvartrace error: $errmsg"}
	259	}
	260	}
	261
	262	# disable traces on entryvar until we are ready
	263	set entrycmd(trace) 0
	264	trace variable entryvar w entvartrace
	265
	266	#
	267	#
	268	#
	269	##############################################################################
	270	##### #####################################################
	271	##### PROCEDURES SECTION #####################################################
	272	##### #####################################################
	273	##############################################################################
	274	# reset routine is used for debugging
	275	proc reset {} {
	276	global expgui script argv expfile
	277	set script $expgui(script)
	278	set argv $expfile
	279	# remove traces
	280	global entryvar
	281	foreach cmd [trace vinfo entryvar] {
	282	eval trace vdelete entryvar $cmd
	283	}
	284	global expgui
	285	foreach cmd [trace vinfo expgui(backterms)] {
	286	eval trace vdelete entryvar $cmd
	287	}
	288	foreach cmd [trace vinfo expgui(backtype)] {
	289	eval trace vdelete entryvar $cmd
	290	}
	291	foreach a {exparray expmap expgui entryvar entrycmd} {
	292	global $a
	293	catch {unset $a}
	294	}
	295	foreach w [winfo children .] {
	296	destroy $w
	297	}
	298
	299	uplevel #0 {source $script}
	300	}
	301
	302	proc About { } {
	303	global expgui expmap
	304	tk_dialog .about {About...} \
	305	"EXPGUI\n\
	306	Jonathan Wasserman and Brian Toby\n\
	307	NIST Center for Neutron Research\n\n\
	308	1998, Not subject to copyright\n\n\
	309	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])" \
	310	info 0 OK
	311	}
	312
[16]	313	# wait until idle
	314	proc afterawhile {} {
	315	# cancel any other instances of this loop
	316	after cancel afterawhile
	317	after cancel whenidle
	318	after cancel whenidle
	319	after idle whenidle
	320	}
	321
	322	proc whenidle {} {
	323	global expgui expfile
	324	if $expgui(titleunchanged) {
	325	if {$expgui(changed) != 0} {
	326	wm title . "$expfile (modified)"
	327	set expgui(titleunchanged) 0
	328	}
	329	}
	330	#puts whenidle
	331	if {[file mtime $expfile] != $expgui(expModifiedLast)} {
	332	if {$expgui(changed) == 0} {
	333	set ans [tk_dialog .expFileErrorMsg "Reload?" \
	334	"File $expfile has been modified by another program. \
	335	Do you want to load the newer version or loose the modifications \
	336	by editing the current version?" \
	337	warning 0 "Load new" "Continue editing"]
	338	} else {
	339	set ans [tk_dialog .expFileErrorMsg "Reload?" \
	340	"File $expfile has been modified by another program \
	341	and you have made $expgui(changed) changes to this version. \
	342	Do you want to load the newer version or loose the modifications \
	343	by continuing to edit the current version?" \
	344	warning 0 "Load new" "Continue editing" "Save edited version"]
	345	}
	346	if {$ans == 0} {
	347	loadexp $expfile
	348	} elseif {$ans == 1} {
	349	# reset the time to the next version
	350	set expgui(expModifiedLast) [file mtime $expfile]
	351	} elseif {$ans == 2} {
	352	savearchiveexp $expfile
	353	}
	354	}
	355	after 2000 afterawhile
	356	}
[10]	357	# -------- called to confirm before exiting
	358	proc catchQuit {} {
	359	if {[confirmBeforeSave] == "Continue"} {
	360	destroy .
	361	}
	362	}
	363	# save the .EXP file before exiting?
	364	proc confirmBeforeSave {} {
	365	global expgui expfile
	366	if !$expgui(changed) {
	367	return "Continue"
	368	}
	369	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
	370	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
	371	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
	372	switch $decision {
[14]	373	0 { savearchiveexp $expfile; return "Continue" }
	374	1 { return "Continue" }
	375	2 { return "Cancel" }
[10]	376	}
	377	}
	378
[14]	379	# save and optionally archive the expfile
	380	proc savearchiveexp {expfile} {
[16]	381	global expgui tcl_platform expmap
[10]	382	if !$expgui(changed) return
	383	if $expgui(archive) {
	384	catch {
	385	set expnam [file rootname $expfile]
	386	if {$tcl_platform(platform) == "windows"} {
	387	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
	388	# archive w/o pkzip
	389	set files [glob -nocomplain ${expnam}!*.exp]
	390	if {$files == ""} {
	391	set num -1
	392	} else {
	393	set file [lindex [lsort -decreasing $files] 0]
	394	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
	395	}
	396	set file $expnam![format "%3.3d" [incr num]].EXP
	397	file copy $expnam.EXP $file
	398	set fp [open $expnam.lst a]
	399	puts $fp "\n--------------------------------------------------------------"
	400	puts $fp "Archiving $expnam.EXP as $file"
	401	puts $fp "--------------------------------------------------------------\n"
	402	close $fp
	403	} else {
	404	# archive with PKZIP
	405	# need to limit expnam to 8 characters
	406	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
	407	# PKZIP can't handle long dir names either
	408	cd [set dir [file dirname $expnam]]
	409	set num -1
	410	# get the versions from the listing
	411	if [file exists $sexp.zip] {
	412	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
	413	while {[gets $fp line] >= 0} {
	414	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
	415	catch {if {$n > $num} {set num $n}}
	416	}
	417	close $fp
	418	}
	419	incr num
	420	set file $sexp.[format "%3.3d" $num]
	421	file copy -force $expnam.EXP $file
	422	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
	423	set fp [open $expnam.lst a]
	424	puts $fp "\n--------------------------------------------------------------"
	425	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
	426	puts $fp "--------------------------------------------------------------\n"
	427	close $fp
	428	}
	429	} else {
	430	set files [glob -nocomplain $expnam.EXP.*]
	431	if {$files == ""} {
	432	set file $expnam.EXP.000
	433	} else {
	434	set file [lindex [lsort -decreasing $files] 0]
	435	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
	436	incr number
	437	set file $expnam.EXP.[format "%3.3d" $number]
	438	}
	439	exec cp $expfile $file
	440	if [catch {exec gzip $file}] {
	441	exec echo "\n----------------------------------------------" >> $expnam.LST
	442	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
	443	exec echo "----------------------------------------------\n" >> $expnam.LST
	444	} else {
	445	exec echo "\n----------------------------------------------" >> $expnam.LST
	446	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
	447	exec echo "----------------------------------------------\n" >> $expnam.LST
	448	}
	449	}
	450	} errmsg
	451	if {$errmsg != ""} {
	452	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
	453	}
	454	}
[16]	455	# add a header
	456	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
[10]	457	# now save the file
	458	expwrite $expfile
[14]	459	set expgui(changed) 0
[16]	460	set expgui(expModifiedLast) [file mtime $expfile]
	461	set expgui(last_History) [string trim [lindex [exphistory last] 1]]
	462	wm title . $expfile
	463	set expgui(titleunchanged) 1
[10]	464	}
	465
	466	# set the number of phases on the phase page
	467	proc setphases {} {
	468	global expgui expmap
	469	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
	470	foreach num $expmap(phaselist) {
	471	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
	472	-command "SelectOnePhase $num"] -side left
	473	}
	474	# set the default data to be the first phase and the first histogram
	475	set expgui(lasthist) [lindex $expmap(powderlist) 0]
	476	}
	477
	478	# Procedure to respond to changes the phase.
	479	# This loads the "phases" widgets with data corresponding to the selected phase.
	480	proc SelectOnePhase {num} {
	481	global entryvar entrycmd expmap expgui
	482	foreach n $expmap(phaselist) {
	483	if {$n == $num} {
	484	$expgui(phaseFrame).top.ps.$num config -relief sunken
	485	} else {
	486	$expgui(phaseFrame).top.ps.$n config -relief raised
	487	}
	488	}
	489	set crsPhase $num
	490	if {$crsPhase == ""} return
	491	set expgui(curPhase) $crsPhase
	492	# we have a phase
	493
	494	# disable traces on entryvar for right now
	495	set entrycmd(trace) 0
	496
	497	##########################################################
	498	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
	499	##########################################################
	500	# phase title
	501	set entrycmd(phasename) {}
	502	set entryvar(phasename) [phaseinfo $crsPhase name]
	503	# cell parameters & flags
	504	foreach ent {a b c alpha beta gamma cellref celldamp} {
	505	set entrycmd($ent) "phaseinfo $crsPhase $ent"
	506	set entryvar($ent) [phaseinfo $crsPhase $ent]
	507	}
	508
	509	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
	510	# initialize to diasbled
	511	DisplayAtom 0 0
	512	DisplayU 0 0
	513	DisplayRefFlags 0 0
	514	$expgui(EditingAtoms) config -text ""
	515
	516	DisplayAllAtoms
	517
	518	# enable traces on entryvar now
	519	set entrycmd(trace) 1
	520	}
	521
	522	set expgui(noreenterDisplayAllAtoms) 0
	523	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
	524	proc DisplayAllAtoms {"mode reset"} {
	525	global entryvar entrycmd expmap expgui
	526	# if it does not show, dont bother
	527	if {$expgui(pagenow) != "phaseFrame"} return
	528	if {$expgui(curPhase) == ""} return
	529	if $expgui(noreenterDisplayAllAtoms) return
	530
	531	set expgui(noreenterDisplayAllAtoms) 1
	532	if {$mode != "reset"} {
	533	set selectlist [$expgui(atomlistbox) curselection]
	534	set pos [lindex [$expgui(atomlistbox) yview] 0]
	535	}
	536	$expgui(atomlistbox) delete 0 end
	537	# loop over atoms
	538	set maxline I
	539	set phase $expgui(curPhase)
	540	set atomlist {}
	541	if {$expgui(asorttype) == "type"} {
	542	# sort on atom type
	543	foreach atom $expmap(atomlist_$phase) {
	544	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
	545	}
	546	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
	547	} elseif {$expgui(asorttype) == "number"} {
	548	# sort on atom number
	549	foreach atom $expmap(atomlist_$phase) {
	550	lappend atomlist "$atom $atom $phase"
	551	}
	552	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
	553	} elseif {$expgui(asorttype) == "x"} {
	554	# sort on x
	555	foreach atom $expmap(atomlist_$phase) {
	556	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
	557	}
	558	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
	559	} elseif {$expgui(asorttype) == "y"} {
	560	# sort on y
	561	foreach atom $expmap(atomlist_$phase) {
	562	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
	563	}
	564	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
	565	} elseif {$expgui(asorttype) == "z"} {
	566	# sort on z
	567	foreach atom $expmap(atomlist_$phase) {
	568	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
	569	}
	570	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
	571	} else {
	572	error "Bad expgui(asorttype = $expgui(asorttype)"
	573	}
	574
	575	foreach tuple $expmap(atomlistboxcontents) {
	576	set atom [lindex $tuple 0]
	577	set phase [lindex $tuple 2]
	578	set refflag {}
	579	foreach type {x u f} {
	580	if {[atominfo $phase $atom ${type}ref]} {
	581	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
	582	} else {
	583	append refflag " [atominfo $phase $atom ${type}damp] "
	584	}
	585	}
	586	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
	587	$atom \
	588	[atominfo $phase $atom label] \
	589	[atominfo $phase $atom type] \
	590	$refflag \
	591	[atominfo $phase $atom x] \
	592	[atominfo $phase $atom y] \
	593	[atominfo $phase $atom z] \
	594	[atominfo $phase $atom frac]
	595	]
	596	# add temperature factors (iso/anoiso)
	597	if {[atominfo $phase $atom temptype] == "A"} {
	598	set maxline A
	599	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
	600	[atominfo $phase $atom U11] \
	601	[atominfo $phase $atom U22] \
	602	[atominfo $phase $atom U33] \
	603	[atominfo $phase $atom U12] \
	604	[atominfo $phase $atom U23] \
	605	[atominfo $phase $atom U13]
	606	]
	607	} else {
	608	append line [format " %9.5f" \
	609	[atominfo $phase $atom Uiso]
	610	]
	611	}
	612	$expgui(atomlistbox) insert end $line
	613	}
	614	$expgui(atomtitle) delete 0 end
	615	if {$maxline == "A"} {
	616	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
	617	" name " "type " "ref/damp " "fractional coordinates " \
	618	" Occupancy" \
	619	"Uiso/Uij "]
	620	} else {
	621	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
	622	" name " "type " "ref/damp " "fractional coordinates " \
	623	" Occupancy" \
	624	"Uiso"]
	625	}
	626	if {$mode != "reset"} {
	627	foreach i $selectlist {
	628	$expgui(atomlistbox) selection set $i
	629	$expgui(atomlistbox) yview moveto $pos
	630	}
	631	}
	632	set expgui(noreenterDisplayAllAtoms) 0
	633	}
	634
	635	# Procedure to select all atoms in response to a right-click
	636	proc SelectAllAtoms {} {
	637	global expgui
	638	$expgui(atomlistbox) selection set 0 end
	639	# just in case this was called at the wrong time:
	640	editRecord
	641	}
	642
	643	# Procedure to respond to left mouse release in the atoms Pane
	644	proc editRecord { args } {
	645	global entrycmd expgui
	646	set selectIndex [$expgui(atomlistbox) curselection]
	647	# disable traces on entryvar for right now
	648	set entrycmd(trace) 0
	649
	650	if {[llength $selectIndex] == 0} {
	651	puts "How did this happen: [$expgui(atomlistbox) curselection]"
	652	} elseif {[llength $selectIndex] == 1} {
	653	editOneRecord $selectIndex
	654	} else {
	655	editMultipleRecords $selectIndex
	656	}
	657	# reenable traces on entryvar
	658	set entrycmd(trace) 1
	659	# repaint the atoms box in case anything was changed
	660	# DisplayAllAtoms noreset
	661	}
	662
	663	proc editOneRecord { AtomIndex } {
	664	global expmap expgui
	665	# get atom number & phase
	666	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
	667	set atomnum [lindex $tuple 0]
	668	set p [lindex $tuple 2]
	669	DisplayU $atomnum $p
	670	DisplayAtom $atomnum $p
	671	DisplayRefFlags $atomnum $p
	672	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
	673	}
	674
	675	# this will not work for a multi-phase list of atoms (yet)
	676	proc editMultipleRecords { AtomIndexList } {
	677	global expmap expgui
	678	set numberList {}
	679	# current phase
	680	set p $expgui(curPhase)
	681	foreach AtomIndex $AtomIndexList {
	682	# get atom number & phase
	683	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
	684	lappend numberList [lindex $tuple 0]
	685	# set p [lindex $tuple 2]
	686	}
	687	# this needs to track by phase
	688	$expgui(EditingAtoms) config -text \
	689	"Set refinement options: atoms [CompressList $numberList]"
	690	DisplayU 0 0
	691	DisplayAtom 0 0
	692	# this needs to track by phase
	693	DisplayRefFlags $numberList $p
	694	}
	695
	696	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
	697	# becomes "1-4,6,7,13-15,19"
	698	proc CompressList {numberList} {
	699	# format the number list to save space
	700	set lastnum -99
	701	set flist {}
	702	set count 0
	703	foreach num [lsort -integer $numberList] {
	704	set next [expr $lastnum+1]
	705	if {$num != $next} {
	706	if {$count == 0 && $flist != ""} {
	707	append flist ",$num"
	708	} elseif {$count == 1 && $flist != ""} {
	709	append flist ",$lastnum,$num"
	710	} elseif {$flist != ""} {
	711	append flist "-$lastnum,$num"
	712	} else {
	713	append flist "$num"
	714	}
	715	set lastnum $num
	716	set count 0
	717	} else {
	718	incr count
	719	incr lastnum
	720	}
	721	}
	722	if {$count == 1 && $flist != ""} {
	723	append flist ",$lastnum"
	724	} elseif {$flist != "" && $count > 1} {
	725	append flist "-$lastnum"
	726	}
	727	return $flist
	728	}
	729
	730	# Procedure to display Isotropic or Anisotropic temperature factors
	731	# Changes the display to one entry widget for Isotropic motion OR
	732	# 6 entry widgets for Anisotropic motion in Frame3.
	733	# or disables the widet entirly if atom = 0
	734	proc DisplayU { atomnum p} {
	735	global expgui entryvar entrycmd
	736	if {$atomnum == 0} {
	737	set iOrA disable
	738	} else {
	739	set iOrA [atominfo $p $atomnum temptype]
	740	}
	741
	742	set firstbox [lindex $expgui(anisolabels) 0]
	743	if { $iOrA == "A" } {
	744	$firstbox config -text "U11 "
	745	foreach item $expgui(anisolabels) {
	746	$item config -fg black
	747	}
	748	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
	749	set entrycmd($var) "atominfo $p $atomnum $var"
	750	set entryvar($var) [eval $entrycmd($var)]
	751	$item config -fg black -state normal -bg white
	752	}
	753	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
	754	foreach item $expgui(anisolabels) {
	755	# $item config -fg grey
	756	$item config -fg beige
	757	}
	758	foreach item [lrange $expgui(anisoentry) 1 end] \
	759	var {U22 U33 U12 U13 U23} {
	760	set entrycmd($var) ""
	761	set entryvar($var) ""
	762	$item config -fg beige -bg beige -state disabled
	763	}
	764	if { $iOrA == "disable"} {
	765	set entrycmd($var) ""
	766	set entryvar($var) ""
	767	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
	768	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
	769	} else {
	770	set entrycmd(U11) "atominfo $p $atomnum Uiso"
	771	set entryvar(U11) [eval $entrycmd(U11)]
	772	$firstbox config -text Uiso -fg black
	773	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
	774	}
	775	}
	776	}
	777
	778	# need to think about multiple phases
	779
	780	# Procedure to display refinement flags
	781	proc DisplayRefFlags { atomnum p} {
	782	global expgui entryvar entrycmd
	783	if {$atomnum == 0} {
	784	foreach label $expgui(atomreflbl) {
	785	$label config -fg beige
	786	}
	787	foreach entry $expgui(atomref) {
	788	$entry config -state disabled -fg beige -bg beige
	789	}
	790	return
	791	}
	792	foreach label $expgui(atomreflbl) {
	793	$label config -fg black
	794	}
	795	foreach entry $expgui(atomref) {
	796	$entry config -state normal -fg black -bg beige
	797	}
	798	foreach var {xref uref fref xdamp udamp fdamp} {
	799	set entrycmd($var) "atominfo $p [list $atomnum] $var"
	800	set entryvar($var) [eval $entrycmd($var)]
	801	}
	802	}
	803
	804	# Procedure to display an atom in the atom edit boxes
	805	proc DisplayAtom { atomnum p} {
	806	global expgui entryvar entrycmd
	807	if {$atomnum == 0} {
	808	foreach label $expgui(atomlabels) {
	809	$label config -fg beige
	810	}
	811	foreach entry $expgui(atomentry) {
	812	$entry config -state disabled -fg beige -bg beige
	813	}
	814	return
	815	}
	816	foreach label $expgui(atomlabels) {
	817	$label config -fg black
	818	}
	819	foreach entry $expgui(atomentry) {
	820	$entry config -state normal -fg black -bg white
	821	}
	822	foreach var {x y z label frac } {
	823	set entrycmd($var) "atominfo $p $atomnum $var"
	824	set entryvar($var) [eval $entrycmd($var)]
	825	}
	826	}
	827
	828	# update the histogram list
	829	# to do: show histogram ref flags?
	830	proc sethistlist {} {
	831	global expgui expmap
	832	set expgui(curhist) 0
	833	foreach lbox $expgui(HistSelectList) {
	834	$lbox.title delete 0 end
	835	$lbox.lbox delete 0 end
	836	if {$expgui(globalmode) != 0} {
	837	$lbox.lbox config -selectmode extended
	838	} else {
	839	$lbox.lbox config -selectmode browse
	840	}
	841	}
	842	# disable the unallowed pages in all mode
	843	if {$expgui(globalmode) == 6} {
	844	foreach pair $expgui(GlobalModeAllDisable) {
	845	if {$expgui(pagenow) == [lindex $pair 0]} {
	846	if !$expgui(havetix) {
[16]	847	RaisePage lsFrame
[10]	848	} else {
[16]	849	.n raise lsPane
	850	set expgui(pagenow) lsFrame
[10]	851	}
	852	}
	853	eval [lindex $pair 1] -state disabled
	854	}
	855	} else {
	856	foreach pair $expgui(GlobalModeAllDisable) {
	857	eval [lindex $pair 1] -state normal
	858	}
	859	}
	860	if {$expgui(hsorttype) == "type"} {
	861	# sort on histogram type
	862	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	863	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
	864	}
	865	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
	866	} elseif {$expgui(hsorttype) == "number"} {
	867	# sort on histogram number
	868	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	869	lappend histlist "$h $h"
	870	}
	871	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
	872	} elseif {$expgui(hsorttype) == "bank"} {
	873	# sort on original bank number
	874	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	875	lappend histlist "$h [histinfo $h bank]"
	876	}
	877	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
	878	} elseif {$expgui(hsorttype) == "angle"} {
	879	# sort on wavelength (CW) or angle (E disp.)
	880	foreach h [lsort -integer -increasing $expmap(powderlist)] {
	881	if {[string range $expmap(htype_$h) 2 2] == "T"} {
	882	set det [format %8.2f [histinfo $h tofangle]]
	883	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
	884	set det [format %8.5f [histinfo $h lam1]]
	885	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
	886	set det [format %8.2f [histinfo $h lam1]]
	887	} else {
	888	set det {}
	889	}
	890	lappend histlist "$h $det"
	891	}
	892	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
	893	}
	894	# title field needs to match longest title
	895	foreach lbox $expgui(HistSelectList) {
	896	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
	897	"h#" \
	898	type \
	899	bank \
	900	"ang/wave" \
	901	" title" \
	902	]
	903	}
	904	foreach tuple $expmap(histlistboxcontents) {
	905	set h [lindex $tuple 0]
	906
	907	if {$expgui(globalmode) == 1} {
	908	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
	909	} elseif {$expgui(globalmode) == 2} {
	910	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
	911	} elseif {$expgui(globalmode) == 3} {
	912	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
	913	[histinfo $h lam2] == 0.0} continue
	914	} elseif {$expgui(globalmode) == 4} {
	915	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
	916	[histinfo $h lam2] != 0.0} continue
	917	} elseif {$expgui(globalmode) == 5} {
	918	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
	919	}
	920
	921	if {[string range $expmap(htype_$h) 2 2] == "T"} {
	922	set det [format %8.2f [histinfo $h tofangle]]
	923	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
	924	set det [format %8.5f [histinfo $h lam1]]
	925	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
	926	set det [format %8.2f [histinfo $h lam1]]
	927	} else {
	928	set det {}
	929	}
	930	foreach lbox $expgui(HistSelectList) {
	931	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
	932	$h \
	933	[string range $expmap(htype_$h) 1 2] \
	934	[histinfo $h bank] \
	935	$det \
	936	[string range [histinfo $h title] 0 66] \
	937	]
	938	}
	939	}
	940	foreach set $expgui(frameactionlist) {
	941	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
	942	}
	943	}
	944
	945	#-----------------------------------------------------------------------
	946	# ----------- draw Histogram page
	947	#-----------------------------------------------------------------------
	948	proc DisplayHistogram {} {
	949	global expgui entrycmd entryvar expmap
	950
	951	# display the selected histograms
	952	$expgui(histFrame).hs.lbox selection clear 0 end
	953	foreach h $expgui(curhist) {
	954	$expgui(histFrame).hs.lbox selection set $h
	955	}
	956
	957	# disable traces on entryvar for right now
	958	set entrycmd(trace) 0
	959
	960	# get histogram list
	961	set histlist {}
	962	foreach item $expgui(curhist) {
	963	lappend histlist [lindex $expmap(powderlist) $item]
	964	}
	965	if {$expgui(globalmode) != 0} {
	966	set expgui(backtermlbl) ""
	967	set expgui(backtypelbl) ""
[14]	968	foreach var {bref bdamp} {
[10]	969	set entrycmd($var) "histinfo [list $histlist] $var"
	970	set entryvar($var) [histinfo [lindex $histlist 0] $var]
	971	}
	972	} else {
	973	set hist $histlist
	974	set terms [histinfo $hist backterms]
	975	set expgui(backtermlbl) "($terms terms)"
	976	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
[14]	977	foreach var {bref bdamp} {
[10]	978	set entrycmd($var) "histinfo $hist $var"
	979	set entryvar($var) [eval $entrycmd($var)]
	980	}
	981	}
[14]	982	# Top box
[10]	983	if {$expgui(globalmode) != 0} {
	984	$expgui(histFrame).top.txt config \
	985	-text "Selected Histograms: [CompressList $histlist]"
	986	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
	987	set expgui(bkglbl) "Globally Edit Background"
	988	} else {
	989	grid forget $expgui(histFrame).top
	990	set expgui(bkglbl) "Edit Background"
	991	}
	992
	993	# diffractometer constants
	994	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
	995	wref pref dcref daref ratref ttref zref } {
	996	set entrycmd($var) "histinfo [list $histlist] $var"
	997	set entryvar($var) [histinfo [lindex $histlist 0] $var]
	998	}
	999
	1000	eval destroy [grid slaves $expgui(diffBox)]
	1001	if {$expgui(globalmode) == 0} {
	1002	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
	1003	#------
	1004	# TOF \|
	1005	#------
	1006	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
	1007	-column 1 -row 1
	1008	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
	1009	-column 2 -row 1
	1010	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
	1011	-column 3 -row 1 -sticky w
	1012	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1013	-width 15 ] -column 4 -row 1
	1014	#
	1015	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
	1016	-column 1 -row 2
	1017	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
	1018	-column 2 -row 2
	1019	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
	1020	-column 3 -row 2
	1021	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
	1022	-width 15 ] -column 4 -row 2
	1023	#
	1024	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1025	-column 3 -row 3
	1026	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1027	-width 15 ] -column 4 -row 3
	1028	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1029	-column 1 -row 3 -sticky w
	1030	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1031	-variable entryvar(zref) ] -column 2 -row 3
	1032	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
	1033	#---------------
	1034	# CW - neutron \|
	1035	#---------------
	1036	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1037	-column 1 -row 1
	1038	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1039	-column 2 -row 1
	1040	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
	1041	-column 3 -row 1 -sticky w
	1042	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1043	-width 15 ] -column 4 -row 1
	1044	#
	1045	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1046	-column 1 -row 3 -sticky w
	1047	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1048	-variable entryvar(zref) ] -column 2 -row 3
	1049	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1050	-column 3 -row 3
	1051	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1052	-width 15 ] -column 4 -row 3
	1053	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
	1054	[histinfo $hist lam2] == 0.0} {
	1055	#--------------------------
	1056	# CW - x-ray 1 wavelength \|
	1057	#--------------------------
	1058	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1059	-column 1 -row 1
	1060	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1061	-column 2 -row 1
	1062	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
	1063	-column 3 -row 1 -sticky w
	1064	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1065	-width 15 ] -column 4 -row 1
	1066	#
	1067	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1068	-column 1 -row 3 -sticky w
	1069	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1070	-variable entryvar(zref) ] -column 2 -row 3
	1071	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1072	-column 3 -row 3
	1073	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1074	-width 15 ] -column 4 -row 3
	1075	#
	1076	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1077	-column 1 -row 4 -sticky w
	1078	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1079	-variable entryvar(pref) ] -column 2 -row 4
	1080	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
	1081	-column 3 -row 4
	1082	grid [ entry $expgui(diffBox).eDCpola \
	1083	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
	1084	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
	1085	-column 5 -row 4
	1086	grid [ entry $expgui(diffBox).eDCipola -width 2 \
	1087	-textvariable entryvar(ipola)] -column 6 -row 4
	1088	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
	1089	#---------------------------
	1090	# CW - x-ray 2 wavelengths \|
	1091	#---------------------------
	1092	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
	1093	-column 3 -row 1 -sticky w
	1094	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1095	-width 15 ] -column 4 -row 1
	1096	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
	1097	-width 15 ] -column 5 -row 1
	1098	#
	1099	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
	1100	-column 1 -row 2 -sticky w
	1101	grid [ checkbutton $expgui(diffBox).rfDCrref \
	1102	-variable entryvar(ratref) ] -column 2 -row 2
	1103	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
	1104	-column 3 -row 2
	1105	grid [ entry $expgui(diffBox).eDCkratio \
	1106	-textvariable entryvar(kratio) \
	1107	-width 15 ] -column 4 -row 2
	1108	#
	1109	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
	1110	-column 3 -row 3
	1111	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
	1112	-width 15 ] -column 4 -row 3
	1113	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1114	-column 1 -row 3 -sticky w
	1115	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1116	-variable entryvar(zref) ] -column 2 -row 3
	1117	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1118	-column 1 -row 4 -sticky w
	1119	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1120	-variable entryvar(pref) ] -column 2 -row 4
	1121	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
	1122	-column 3 -row 4
	1123	grid [ entry $expgui(diffBox).eDCpola \
	1124	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
	1125	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
	1126	-column 5 -row 4
	1127	grid [ entry $expgui(diffBox).eDCipola -width 2 \
	1128	-textvariable entryvar(ipola)] -column 6 -row 4
	1129	-variable entryvar(zref) ] -column 2 -row 3
	1130	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
	1131	#-------------
	1132	# ED - x-ray \|
	1133	#-------------
	1134	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
	1135	-column 1 -row 1
	1136	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
	1137	-column 2 -row 1
	1138	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
	1139	-column 3 -row 1 -sticky w
	1140	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
	1141	-width 15 ] -column 4 -row 1
	1142	#
	1143	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1144	-column 1 -row 4 -sticky w
	1145	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1146	-variable entryvar(pref) ] -column 2 -row 4
	1147	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
	1148	-column 3 -row 4
	1149	grid [ entry $expgui(diffBox).eDCpola \
	1150	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
	1151	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
	1152	-column 5 -row 4
	1153	grid [ entry $expgui(diffBox).eDCipola -width 2 \
	1154	-textvariable entryvar(ipola)] -column 6 -row 4
	1155	}
	1156	} elseif {$expgui(globalmode) == 1} {
	1157	#-------------
	1158	# Global TOF \|
	1159	#-------------
	1160	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
	1161	-column 1 -row 1
	1162	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
	1163	-column 2 -row 1
	1164	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
	1165	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
	1166	#
	1167	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
	1168	-column 1 -row 2
	1169	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
	1170	-column 2 -row 2
	1171	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
	1172	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
	1173	#
	1174	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1175	-column 1 -row 3 -sticky w
	1176	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1177	-variable entryvar(zref) ] -column 2 -row 3
	1178	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
	1179	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
	1180	} elseif {$expgui(globalmode) == 2} {
	1181	#--------------------
	1182	# Global CW neutron \|
	1183	#--------------------
	1184	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1185	-column 1 -row 1
	1186	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1187	-column 2 -row 1
	1188	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
	1189	-command "editglobalparm histinfo lam1 Wavelength"] \
	1190	-column 3 -row 1
	1191	#
	1192	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1193	-column 1 -row 3 -sticky w
	1194	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1195	-variable entryvar(zref) ] -column 2 -row 3
	1196	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
	1197	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
	1198	} elseif {$expgui(globalmode) == 4} {
	1199	#----------------------
	1200	# Global CW mono xray \|
	1201	#----------------------
	1202	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
	1203	-column 1 -row 1
	1204	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
	1205	-column 2 -row 1
	1206	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
	1207	-command "editglobalparm histinfo lam1 Wavelength"] \
	1208	-column 3 -row 1
	1209	#
	1210	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1211	-column 1 -row 3 -sticky w
	1212	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1213	-variable entryvar(zref) ] -column 2 -row 3
	1214	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
	1215	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
	1216	#
	1217	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1218	-column 1 -row 4 -sticky w
	1219	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1220	-variable entryvar(pref) ] -column 2 -row 4
	1221	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
	1222	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
	1223	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
	1224	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
	1225	} elseif {$expgui(globalmode) == 3} {
	1226	#------------------------
	1227	# Global alpha 1,2 xray \|
	1228	#------------------------
	1229	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
	1230	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
	1231	-column 3 -row 1
	1232	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
	1233	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
	1234	-column 4 -row 1
	1235	#
	1236	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
	1237	-column 1 -row 3 -sticky w
	1238	grid [ checkbutton $expgui(diffBox).rfDCratref \
	1239	-variable entryvar(ratref) ] -column 2 -row 3
	1240	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
	1241	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
	1242	-column 3 -row 3
	1243	#
	1244	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
	1245	-column 1 -row 3 -sticky w
	1246	grid [ checkbutton $expgui(diffBox).rfDCzref \
	1247	-variable entryvar(zref) ] -column 2 -row 3
	1248	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
	1249	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
	1250	#
	1251	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1252	-column 1 -row 4 -sticky w
	1253	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1254	-variable entryvar(pref) ] -column 2 -row 4
	1255	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
	1256	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
	1257	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
	1258	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
	1259	} elseif {$expgui(globalmode) == 5} {
	1260	#-----------------
	1261	# Global ED xray \|
	1262	#-----------------
	1263	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
	1264	-column 1 -row 1
	1265	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
	1266	-column 2 -row 1
	1267	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
	1268	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
	1269	-column 3 -row 1
	1270	#
	1271	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
	1272	-column 1 -row 4 -sticky w
	1273	grid [ checkbutton $expgui(diffBox).rfDCpref \
	1274	-variable entryvar(pref) ] -column 2 -row 4
	1275	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
	1276	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
	1277	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
	1278	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
	1279	}
	1280	if {$expgui(globalmode) == 0} {
	1281	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
	1282	-columnspan 2 -sticky e
	1283	} else {
	1284	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
	1285	-columnspan 2 -sticky e
	1286	}
	1287	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
	1288	-column 1 -row 1
	1289	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
	1290	grid $expgui(diffBox).d.om -column 2 -row 1
	1291	grid columnconfigure $expgui(diffBox) 9 -weight 1
	1292	grid columnconfigure $expgui(diffBox) 0 -weight 1
	1293	update idletasks
	1294	# enable traces on entryvar now
	1295	set entrycmd(trace) 1
	1296	}
	1297
	1298	#-----------------------------------------------------------------------
[14]	1299	# populate the Scaling page
[10]	1300	#-----------------------------------------------------------------------
	1301	proc DisplayFrac {} {
	1302	global expgui entrycmd entryvar expmap
	1303
	1304	# display the selected histograms
	1305	$expgui(fracFrame).hs.lbox selection clear 0 end
	1306	foreach h $expgui(curhist) {
	1307	$expgui(fracFrame).hs.lbox selection set $h
	1308	}
	1309
	1310	# disable traces on entryvar
	1311	set entrycmd(trace) 0
	1312
	1313	# get histogram list
	1314	set histlist {}
	1315	foreach item $expgui(curhist) {
	1316	lappend histlist [lindex $expmap(powderlist) $item]
	1317	}
	1318
[14]	1319	#--------------
	1320	# Scale factor
	1321	#--------------
	1322	if {$expgui(globalmode) != 0} {
	1323	foreach var {scale sref sdamp} {
	1324	set entrycmd($var) "histinfo [list $histlist] $var"
	1325	set entryvar($var) [histinfo [lindex $histlist 0] $var]
	1326	}
	1327	set parm [grid info $expgui(scaleBox).ent1]
	1328	if {$parm != ""} {
	1329	grid forget $expgui(scaleBox).ent1
	1330	eval grid $expgui(scaleBox).but1 $parm
	1331	}
	1332	} else {
	1333	set hist $histlist
	1334	foreach var {scale sref sdamp} {
	1335	set entrycmd($var) "histinfo $hist $var"
	1336	set entryvar($var) [eval $entrycmd($var)]
	1337	}
	1338	set parm [grid info $expgui(scaleBox).but1]
	1339	if {$parm != ""} {
	1340	grid forget $expgui(scaleBox).but1
	1341	eval grid $expgui(scaleBox).ent1 $parm
	1342	}
	1343	}
	1344
	1345	#----------------
	1346	# Phase Fractions
	1347	#----------------
	1348	set phaseFractf1 $expgui(FracBox).f
[10]	1349	# destroy the contents of the frame
[14]	1350	eval destroy [grid slaves $phaseFractf1]
[10]	1351	if {$expgui(globalmode) != 0} {
[14]	1352	grid [label $phaseFractf1.txt -anchor center \
	1353	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
	1354	-column 0 -row 0 -sticky news
	1355	} else {
	1356	grid [label $phaseFractf1.txt -anchor center \
	1357	-text "Phase Fractions"] -column 0 -row 0 -sticky news
[10]	1358	}
	1359	# Create the frame inside the canvas, One frame for each Phase.
	1360	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
	1361	foreach hist $histlist {
	1362	foreach i $expmap(phaselist_$hist) {
	1363	lappend phasehistlist($i) $hist
	1364	}
	1365	}
	1366	foreach i {1 2 3 4 5 6 7 8 9} {
	1367	if {[llength $phasehistlist($i)] == 0} continue
	1368	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
[14]	1369	grid $framePF -column 0 -row $i -sticky ew
[10]	1370	# Label Heading for each phase.
	1371	if {$expgui(globalmode) != 0} {
	1372	grid [label $framePF.l1 \
[14]	1373	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
[10]	1374	-column 0 -row 0 -sticky nws
	1375	grid [button $framePF.but1 -text "Set Globally" \
	1376	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
	1377	[list $phasehistlist($i)] $i" \
	1378	] -column 1 -row 0
	1379	} else {
[14]	1380	grid [label $framePF.l1 -text "Phase $i fraction"] \
[10]	1381	-column 0 -row 0 -sticky nws
	1382	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
	1383	-column 1 -row 0
	1384	}
	1385	set entrycmd(frac$i) "hapinfo $hist $i frac"
	1386	set entryvar(frac$i) [hapinfo $hist $i frac]
	1387	grid [label $framePF.l2 -text " Refine"] \
	1388	-column 2 -row 0 -sticky nws
	1389	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
	1390	-column 3 -row 0 -sticky nws
	1391	set entrycmd(frref$i) "hapinfo $hist $i frref"
	1392	set entryvar(frref$i) [hapinfo $hist $i frref]
	1393	grid [label $framePF.l3 -text " Damping"] \
	1394	-column 4 -row 0 -sticky nws
	1395	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
	1396	0 1 2 3 4 5 6 7 8 9
	1397	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
	1398	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
	1399	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
	1400	}
[14]	1401	# resize the scroll window to match the actual
[10]	1402	update idletasks
[14]	1403	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
	1404	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
	1405	update idletasks
[10]	1406	# enable traces on entryvar now
	1407	set entrycmd(trace) 1
	1408	}
	1409
	1410	#-----------------------------------------------------------------------
	1411	# display the profile page
	1412	#-----------------------------------------------------------------------
	1413	proc DisplayProfile {} {
	1414	global expgui entrycmd entryvar expmap
	1415	$expgui(profFrame).hs.lbox selection clear 0 end
	1416	foreach h $expgui(curhist) {
	1417	$expgui(profFrame).hs.lbox selection set $h
	1418	}
	1419
	1420	# disable traces on entryvar for right now
	1421	set entrycmd(trace) 0
	1422	# destroy the contents of the frame
	1423	eval destroy [grid slaves $expgui(ProfileBox).f]
	1424
	1425	if {$expgui(globalmode) == 0} {
	1426	set hist [lindex $expmap(powderlist) $expgui(curhist)]
	1427	# Create one frame for each Phase.
	1428	set ind -1
	1429	set htype [string range $expmap(htype_$hist) 2 2]
	1430	foreach i $expmap(phaselist_$hist) {
	1431	incr ind
	1432	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
	1433	-column 0 -row $ind -sticky ew
	1434	grid [frame $expgui(ProfileBox).f.$i.1] \
	1435	-column 0 -row 0 -columnspan 10 -sticky ew
	1436	# Label Heading for each phase.
	1437	set ptype [string trim [hapinfo $hist $i proftype]]
	1438	pack [label $expgui(ProfileBox).f.$i.1.l \
	1439	-text "Phase $i -- type $ptype Damping"]\
	1440	-side left
	1441	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
	1442	0 1 2 3 4 5 6 7 8 9
	1443	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
	1444	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
	1445	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
	1446	pack [label $expgui(ProfileBox).f.$i.1.l1 \
	1447	-text " Peak cutoff"]\
	1448	-side left
	1449	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
	1450	-width 10 -textvariable entryvar(pcut_$i)]\
	1451	-side left
	1452	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
	1453	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
	1454
	1455	set col -1
	1456	set row 1
	1457	set nterms [hapinfo $hist $i profterms]
	1458	set lbls $expgui(prof-$htype-$ptype)
	1459	# for type 4, add extra terms depending on the cell type
	1460	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
	1461	for { set num 1 } { $num <= $nterms } { incr num } {
	1462	set term {}
	1463	catch {set term [lindex $lbls $num]}
	1464	if {$term == ""} {set term $num}
	1465	incr col
	1466	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
	1467	-row $row -column $col
	1468	incr col
	1469	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
	1470	-variable entryvar(pref${num}_$i)] -row $row -column $col
	1471	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
	1472	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
	1473	incr col
	1474	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
	1475	-textvariable entryvar(pterm${num}_$i)\
	1476	-width 14] -row $row -column $col
	1477	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
	1478	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
	1479	if {$col > 6} {set col -1; incr row}
	1480	}
	1481	}
	1482	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
	1483	} else {
	1484	# get histogram list
	1485	set histlist {}
	1486	foreach item $expgui(curhist) {
	1487	lappend histlist [lindex $expmap(powderlist) $item]
	1488	}
	1489	# loop through histograms & phases, set up an array by type
	1490	catch {unset ptypearray histarray phasearray}
	1491	foreach hist $histlist {
	1492	foreach i $expmap(phaselist_$hist) {
	1493	set ptype [string trim [hapinfo $hist $i proftype]]
	1494	lappend ptypearray(${ptype}_$i) $hist
	1495	lappend histarray($ptype) $hist
	1496	lappend phasearray($ptype) $i
	1497	}
	1498	}
	1499
	1500	set ptype ""
	1501	set title ""
	1502	set ind -1
	1503	foreach key "[lsort [array names ptypearray]] 0_0" {
	1504	# split key
	1505	scan $key %d_%d type p
	1506	# 1st time through
	1507	if {$ptype == ""} {set ptype $type}
	1508	if {$ptype == $type} {
	1509	# we've seen this one before
	1510	if {$title != ""} {append title "\n"}
	1511	append title "Phase $p, hist [CompressList $ptypearray($key)]"
	1512	} else {
	1513	set hist [lindex $histarray($ptype) 0]
	1514	set phase [lindex $phasearray($ptype) 0]
	1515	set nterms [hapinfo $hist $phase profterms]
	1516	set htype [string range $expmap(htype_$hist) 2 2]
	1517	set lbls $expgui(prof-$htype-$ptype)
	1518	set i $ptype
	1519	# Create one frame for this type
	1520	incr ind
	1521	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
	1522	-column 0 -row $ind -sticky ew
	1523	grid [frame $expgui(ProfileBox).f.$i.0] \
	1524	-column 0 -row 0 -columnspan 20 -sticky ew
	1525	grid [label $expgui(ProfileBox).f.$i.0.0 \
	1526	-text "Profile Type $ptype "] -row 0 -column 0
	1527	grid [label $expgui(ProfileBox).f.$i.0.1 \
	1528	-text $title -anchor w] -row 0 -column 1
	1529	grid [frame $expgui(ProfileBox).f.$i.1] \
	1530	-column 0 -row 1 -columnspan 20 -sticky ew
	1531	grid [label $expgui(ProfileBox).f.$i.1.2 \
	1532	-text "Damping"] -row 0 -column 2
	1533	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
	1534	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
	1535	set entrycmd(pdamp_$ptype) "hapinfo \
	1536	[list $histarray($ptype)] \
	1537	[list $phasearray($ptype)] pdamp"
	1538	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
	1539	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
	1540	grid [button $expgui(ProfileBox).f.$i.1.edit \
	1541	-text "Global Edit" \
	1542	-command "EditProfile [list $title] \
	1543	[list $histarray($ptype)] [list $phasearray($ptype)] " \
	1544	] -row 0 -column 4 -sticky w
	1545	# for type 4, add extra terms depending on the cell type
	1546	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
	1547	set col -1
	1548	set row 2
	1549	for { set num 1 } { $num <= $nterms } { incr num } {
	1550	set term {}
	1551	catch {set term [lindex $lbls $num]}
	1552	if {$term == ""} {set term $num}
	1553	incr col
	1554	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
	1555	-row $row -column $col
	1556	incr col
	1557	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
	1558	-variable entryvar(pref${num}_$i)] \
	1559	-row $row -column $col
	1560	set entrycmd(pref${num}_$i) "hapinfo \
	1561	[list $histarray($ptype)] \
	1562	[list $phasearray($ptype)] pref$num"
	1563	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
	1564	if {$col > 10} {set col -1; incr row}
	1565	}
	1566	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
	1567	set ptype ""
	1568	}
	1569	}
	1570	}
	1571
	1572	# resize the scroll window to match the actual
	1573	update idletasks
	1574	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
	1575	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
	1576	update idletasks
	1577	# enable traces on entryvar now
	1578	set entrycmd(trace) 1
	1579	}
	1580
	1581	# profile labels for type 4 profile
	1582	proc type4lbls {lbls nterms phase} {
	1583	if {$nterms == 14} {
	1584	# cubic
	1585	lappend lbls S400 S220
	1586	} elseif {$nterms == 15} {
	1587	# hexagonal
	1588	lappend lbls S400 S004 S202
	1589	} elseif {$nterms == 16} {
	1590	# tetragonal or rhombohedral
	1591	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
	1592	# rhombohedral
	1593	lappend lbls S400 S220 S310 S211
	1594	} else {
	1595	lappend lbls S400 S004 S220 S202
	1596	}
	1597	} elseif {$nterms == 18} {
	1598	# orthorhombic
	1599	lappend lbls S400 S040 S004 S220 S202 S022
	1600	} elseif {$nterms == 21} {
	1601	# monoclinic
	1602	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
	1603	} elseif {$nterms == 25} {
	1604	# triclinic
	1605	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
	1606	S130 S301 S013 S211 S121 S112
	1607	}
	1608	return $lbls
	1609	}
	1610
	1611	# process the bit settings in the print options
	1612	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
	1613	proc printsetting {bitnum "action get" "value {}"} {
	1614	global entryvar expgui
	1615	if {$action == "get"} {
	1616	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
	1617	} elseif $value {
	1618	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
	1619	} else {
	1620	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
	1621	}
	1622	expinfo print set $newval
	1623	set expgui(printopt) "Print Options ([expinfo print])"
	1624	}
	1625	#---------------------------- Global Edit Functions ------------------------
	1626	proc editbackground {} {
	1627	global expgui expmap entrycmd
	1628	set w .back
	1629	catch {destroy $w}
	1630	toplevel $w -bg beige
	1631	set histlist {}
	1632	foreach n $expgui(curhist) {
	1633	lappend histlist [lindex $expmap(powderlist) $n]
	1634	}
	1635	if {$expgui(globalmode) != 0} {
	1636	wm title $w "Edit Background"
	1637	} else {
	1638	wm title $w "Global Edit Background"
	1639	}
	1640
	1641	pack [frame $w.0 -bd 6 -relief groove -bg beige \
	1642	] -side top -expand yes -fill both
	1643	if {[llength $histlist] > 1} {
	1644	grid [label $w.0.a \
	1645	-text "Setting background terms for histograms [CompressList $histlist]" \
	1646	-bg beige] -row 0 -column 0 -columnspan 10
	1647	} else {
	1648	grid [label $w.0.a \
	1649	-text "Setting background terms for histogram $histlist" \
	1650	-bg beige] -row 0 -column 0 -columnspan 10
	1651	}
	1652	set hist [lindex $histlist 0]
	1653	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
	1654
	1655	# disable traces on expgui(backtype) & expgui(backterms) now
	1656	set entrycmd(trace) 0
	1657
	1658	# number of terms
	1659	set expgui(backtype) [histinfo $hist backtype]
	1660	set expgui(orig_backtype) $expgui(backtype)
	1661	set expgui(prev_backtype) $expgui(backtype)
	1662	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
	1663	grid $w.0.type -row 1 -column 1
	1664	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
	1665
	1666	# function type
	1667	set expgui(backterms) [histinfo $hist backterms]
	1668	set expgui(orig_backterms) $expgui(backterms)
	1669	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
	1670	eval tk_optionMenu $w.0.terms expgui(backterms) $list
	1671	grid $w.0.terms -row 1 -column 3
	1672	# enable traces on expgui(backtype) & expgui(backterms) now
	1673	set entrycmd(trace) 1
	1674
	1675	#set background terms
	1676	for {set num 1 } { $num <= 36 } { incr num } {
	1677	set var "bterm$num"
	1678	set expgui($var) {}
	1679	set expgui(orig_$var) {}
	1680	}
	1681	if {[llength $histlist] == 1} {
	1682	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	1683	set var "bterm$num"
	1684	set expgui($var) [histinfo $histlist $var]
	1685	set expgui(orig_$var) $expgui($var)
	1686	}
	1687	}
	1688
	1689	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
	1690	-expand yes -fill both
	1691	ShowBackTerms $w.1
	1692
	1693	set expgui(temp) {}
	1694	pack [frame $w.b] -side top
	1695	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
	1696	pack [button $w.b.3 -text Quit \
	1697	-command "QuitEditBackground $w"] -side left
	1698	# force the window to stay on top
	1699	wm transient $w [winfo toplevel [winfo parent $w]]
	1700
	1701	bind $w <Return> "destroy $w"
	1702	wm withdraw $w
	1703	update idletasks
	1704	# center the new window in the middle of the parent
	1705	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
	1706	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
	1707	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
	1708	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
	1709	wm geom $w +$x+$y
	1710	wm deiconify $w
	1711
	1712	set oldFocus [focus]
	1713	set oldGrab [grab current $w]
	1714	if {$oldGrab != ""} {
	1715	set grabStatus [grab status $oldGrab]
	1716	}
	1717	grab $w
	1718	focus $w.b.2
	1719	tkwait window $w
	1720
	1721	catch {focus $oldFocus}
	1722	if {$oldGrab != ""} {
	1723	if {$grabStatus == "global"} {
	1724	grab -global $oldGrab
	1725	} else {
	1726	grab $oldGrab
	1727	}
	1728	}
	1729
	1730	if {$expgui(temp) != ""} return
	1731
	1732	if {$expgui(orig_backtype) != $expgui(backtype)} {
	1733	histinfo $histlist backtype set $expgui(backtype)
	1734	}
	1735	if {$expgui(orig_backterms) != $expgui(backterms)} {
	1736	histinfo $histlist backterms set $expgui(backterms)
	1737	}
	1738	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	1739	set var "bterm$num"
	1740	if {$expgui(orig_$var) != $expgui($var)} {
	1741	histinfo $histlist $var set $expgui($var)
	1742	}
	1743	}
	1744
	1745	if {$expgui(globalmode) == 0} {
	1746	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
	1747	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
	1748	}
	1749	}
	1750
	1751	trace variable expgui(backterms) w ChangeBackTerms
	1752	proc ChangeBackTerms {a b c} {
	1753	global entrycmd expgui
	1754	if !$entrycmd(trace) return
	1755	ShowBackTerms .back.1
	1756	}
	1757
	1758	trace variable expgui(backtype) w ChangeBackType
	1759	# reset the terms to 1, 0, 0... when the number of terms increase
	1760	proc ChangeBackType {a b c} {
	1761	global entrycmd expgui
	1762	if !$entrycmd(trace) return
	1763	if {$expgui(prev_backtype) == $expgui(backtype)} return
	1764	set expgui(prev_backtype) $expgui(backtype)
	1765	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	1766	set var "bterm$num"
	1767	if {$num == 1} {
	1768	set expgui($var) 1.0
	1769	} else {
	1770	set expgui($var) 0.0
	1771	}
	1772	}
	1773	}
	1774
	1775	proc ShowBackTerms {w } {
	1776	global expgui expmap
	1777	# destroy the contents of the frame
	1778	eval destroy [grid slaves $w]
	1779	set histlist {}
	1780	foreach n $expgui(curhist) {
	1781	lappend histlist [lindex $expmap(powderlist) $n]
	1782	}
	1783	set widgetsPerRow 4
	1784	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
	1785	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
	1786	set var "bterm$num"
	1787	grid [label $w.l$num -text $num -bg beige] \
	1788	-row $rows -column $cols -sticky nes
	1789	incr cols
	1790	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
	1791	] -row $rows -column $cols -sticky news
	1792	incr cols
	1793	}
	1794	}
	1795	}
	1796
	1797	proc QuitEditBackground {w} {
	1798	global expgui
	1799	# lets find out if anything changed
	1800	set changed 0
	1801	if {$expgui(orig_backtype) != $expgui(backtype)} {
	1802	set changed 1
	1803	}
	1804	if {$expgui(orig_backterms) != $expgui(backterms)} {
	1805	set changed 1
	1806	}
	1807	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
	1808	set var "bterm$num"
	1809	if {$expgui(orig_$var) != $expgui($var)} {
	1810	set changed 1
	1811	break
	1812	}
	1813	}
	1814	if $changed {
	1815	set decision [tk_dialog .changes "Abandon Changes" \
	1816	"You have made changes to the background. Ok to abandon changes?" \
	1817	warning 0 Abandon Keep]
	1818	if !$decision {
	1819	set expgui(temp) "Quit"
	1820	destroy $w
	1821	}
	1822	} else {
	1823	set expgui(temp) "Quit"
	1824	destroy $w
	1825	}
	1826	}
	1827
	1828	# this probably needs work
	1829	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
	1830	global expgui expmap
	1831	set w .global
	1832	catch {destroy $w}
	1833	toplevel $w -bg beige
	1834	wm title $w "Edit Global Parameter"
	1835	set expgui(temp) {}
	1836	if {[llength $histlist] == 0} {
	1837	set hist {}
	1838	foreach n $expgui(curhist) {
	1839	lappend hist [lindex $expmap(powderlist) $n]
	1840	}
	1841	} else {
	1842	set hist $histlist
	1843	}
	1844	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
	1845	-side top -expand yes -fill both
	1846	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
	1847	-bg beige] \
	1848	-row 0 -column 0 -columnspan 10
	1849	grid [entry $w.0.b -textvariable expgui(temp)] \
	1850	-row 1 -column 0
	1851
	1852
	1853	pack [frame $w.b] -side top
	1854	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
	1855	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
	1856	# force the window to stay on top
	1857	wm transient $w [winfo toplevel [winfo parent $w]]
	1858
	1859	bind $w <Return> "destroy $w"
	1860	wm withdraw $w
	1861	update idletasks
	1862	# center the new window in the middle of the parent
	1863	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
	1864	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
	1865	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
	1866	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
	1867	wm geom $w +$x+$y
	1868	wm deiconify $w
	1869
	1870	set oldFocus [focus]
	1871	set oldGrab [grab current $w]
	1872	if {$oldGrab != ""} {
	1873	set grabStatus [grab status $oldGrab]
	1874	}
	1875	grab $w
	1876	focus $w.b.2
	1877	tkwait window $w
	1878	if {$expgui(temp) != ""} {
	1879	foreach h $hist {
	1880	if {$cmd == "histinfo"} {
	1881	histinfo $h $variable set $expgui(temp)
	1882	if $expgui(debug) {
	1883	puts "histinfo $h $variable set $expgui(temp)"
	1884	}
	1885	} elseif {$cmd == "hapinfo"} {
	1886	hapinfo $h $phase $variable set $expgui(temp)
	1887	if $expgui(debug) {
	1888	puts "hapinfo $phase $h $variable set $expgui(temp)"
	1889	}
	1890	} else {
	1891	error "$cmd unimplemented"
	1892	}
	1893	}
	1894	}
	1895	catch {focus $oldFocus}
	1896	if {$oldGrab != ""} {
	1897	if {$grabStatus == "global"} {
	1898	grab -global $oldGrab
	1899	} else {
	1900	grab $oldGrab
	1901	}
	1902	}
	1903	}
	1904
	1905	proc EditProfile {title histlist phaselist} {
	1906	global expgui expmap entrycmd
	1907	set w .back
	1908	catch {destroy $w}
	1909	toplevel $w -bg beige
	1910	wm title $w "Global Edit Profile"
	1911	set hist [lindex $histlist 0]
	1912	set phase [lindex $phaselist 0]
	1913	set ptype [string trim [hapinfo $hist $phase proftype]]
	1914	set htype [string range $expmap(htype_$hist) 2 2]
	1915	set nterms [hapinfo $hist $phase profterms]
	1916
	1917	pack [frame $w.0 -bd 6 -relief groove -bg beige \
	1918	] -side top -expand yes -fill both
	1919	grid [label $w.0.a \
	1920	-text "Setting profile terms: $title" \
	1921	-bg beige] -row 0 -column 0 -columnspan 10
	1922	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
	1923
	1924	# number of terms
	1925	# set expgui(backtype) [histinfo $hist backtype]
	1926	# set expgui(orig_backtype) $expgui(backtype)
	1927	# set expgui(prev_backtype) $expgui(backtype)
	1928	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
	1929	# grid $w.0.type -row 1 -column 1
	1930
	1931	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
	1932	grid [entry $w.0.d -width 10 ] -row 1 -column 4
	1933	set entrylist {}
	1934	lappend entrylist "pcut $w.0.d"
	1935
	1936	set col -1
	1937	set row 1
	1938	set lbls $expgui(prof-$htype-$ptype)
	1939	# for type 4, add extra terms depending on the cell type
	1940	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
	1941	pack [frame $w.1 -bd 6 -relief groove -bg beige \
	1942	] -side top -expand yes -fill both
	1943	for { set num 1 } { $num <= $nterms } { incr num } {
	1944	set term {}
	1945	catch {set term [lindex $lbls $num]}
	1946	if {$term == ""} {set term $num}
	1947	incr col
	1948	grid [label $w.1.l${num} -text "$term" -bg beige] \
	1949	-row $row -column $col
	1950	incr col
	1951	grid [entry $w.1.ent${num} \
	1952	-width 14] -row $row -column $col
	1953	lappend entrylist "pterm$num $w.1.ent${num}"
	1954	if {$col > 6} {set col -1; incr row}
	1955	}
	1956	pack [frame $w.b] -side top
	1957	pack [button $w.b.2 -text Set \
	1958	-command "SetEditProfile [list $entrylist] [list $phaselist] \
	1959	[list $histlist] $w"] -side left
	1960	pack [button $w.b.3 -text Quit \
	1961	-command "QuitEditProfile $w [list $entrylist]"] -side left
	1962	# force the window to stay on top
	1963	wm transient $w [winfo toplevel [winfo parent $w]]
	1964
	1965	bind $w <Return> "destroy $w"
	1966	wm withdraw $w
	1967	update idletasks
	1968	# center the new window in the middle of the parent
	1969	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
	1970	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
	1971	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
	1972	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
	1973	wm geom $w +$x+$y
	1974	wm deiconify $w
	1975
	1976	set oldFocus [focus]
	1977	set oldGrab [grab current $w]
	1978	if {$oldGrab != ""} {
	1979	set grabStatus [grab status $oldGrab]
	1980	}
	1981	grab $w
	1982	focus $w.b.2
	1983	tkwait window $w
	1984
	1985	catch {focus $oldFocus}
	1986	if {$oldGrab != ""} {
	1987	if {$grabStatus == "global"} {
	1988	grab -global $oldGrab
	1989	} else {
	1990	grab $oldGrab
	1991	}
	1992	}
	1993	}
	1994
	1995	proc SetEditProfile {entrylist phaselist histlist w} {
	1996	global expgui
	1997	foreach item $entrylist {
	1998	set value [ [lindex $item 1] get ]
	1999	if {$value != ""} {
	2000	hapinfo $histlist $phaselist [lindex $item 0] set $value
	2001	if $expgui(debug) {
	2002	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
	2003	}
	2004	}
	2005	}
	2006	destroy $w
	2007	}
	2008
	2009	proc QuitEditProfile {w entrylist} {
	2010	global expgui
	2011	# lets find out if anything changed
	2012	set changed 0
	2013	foreach item $entrylist {
	2014	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
	2015	}
	2016	if $changed {
	2017	set decision [tk_dialog .changes "Abandon Changes" \
	2018	"You have made changes to the Profile. Ok to abandon changes?" \
	2019	warning 0 Abandon Keep]
	2020	if !$decision {destroy $w}
	2021	} else {
	2022	destroy $w
	2023	}
	2024	}
	2025
	2026	##############################################################################
	2027	## #############################################
	2028	## END OF THE PROCEDURES SECTION #############################################
	2029	## #############################################
	2030	##############################################################################
	2031
	2032	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
	2033	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
	2034	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
	2035	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
	2036	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
	2037	# A frame for menu items at top of display
	2038	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
	2039	# Pack the menu frame.
	2040	pack $expgui(fm) -fill x -side top -anchor n
	2041
[14]	2042	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
[10]	2043	# & LS controls
	2044	if $expgui(havetix) {
	2045	pack [tixNoteBook .n] -expand yes -fill both
[16]	2046	.n add lsPane -label "LS Controls" -underline 0
	2047	.n pageconfigure lsPane -raisecmd \
	2048	"set expgui(pagenow) lsFrame; SetupExtractHist"
	2049	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
[10]	2050	.n add phasePane -label "Phase" -underline 0
	2051	.n pageconfigure phasePane -raisecmd \
	2052	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
	2053	.n add histPane -label "Histogram" -underline 0
	2054	.n pageconfigure histPane -raisecmd \
	2055	"set expgui(pagenow) histFrame; DisplayHistogram"
	2056	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
	2057	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
[14]	2058	.n add fracPane -label "Scaling" -underline 6
[10]	2059	.n pageconfigure fracPane -raisecmd \
	2060	"set expgui(pagenow) fracFrame; DisplayFrac"
	2061	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
	2062	.n add profPane -label Profile -underline 1
	2063	.n pageconfigure profPane -raisecmd \
	2064	"set expgui(pagenow) profFrame; DisplayProfile"
	2065	lappend expgui(frameactionlist) "profFrame DisplayProfile"
	2066	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
	2067	# Finding the pathname to the subwidget frames.
	2068	set expgui(phaseFrame) [.n subwidget phasePane]
	2069	set expgui(histFrame) [.n subwidget histPane]
	2070	set expgui(fracFrame) [.n subwidget fracPane]
	2071	set expgui(profFrame) [.n subwidget profPane]
	2072	set expgui(lsFrame) [.n subwidget lsPane]
	2073	} else {
	2074	pack [frame .bar] -side top -anchor w
	2075	pack [frame .n] -anchor w -fill both -expand yes
[16]	2076	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
[14]	2077	page {Phase Histogram Scaling Profile "LS Controls"} {
[10]	2078	pack [button .bar.$item -text $page -bd 2 \
	2079	-command "RaisePage $item"] -side left
	2080	set expgui($item) [frame .n.$item -relief flat]
	2081	}
[16]	2082	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
[10]	2083	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
	2084	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
	2085	lappend expgui(frameactionlist) "profFrame DisplayProfile"
	2086	lappend expgui(GlobalModeAllDisable) "histFrame {.bar.histFrame config}"
	2087	lappend expgui(GlobalModeAllDisable) "profFrame {.bar.profFrame config}"
	2088	}
	2089
	2090	# this is used in the non-tix notebook to bring up the selected frame
	2091	proc RaisePage {nextpage} {
	2092	global expgui
	2093	set expgui(pagenow) $nextpage
	2094	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
	2095	if {$item == $nextpage} {
	2096	.bar.$item config -relief flat
	2097	} else {
	2098	.bar.$item config -relief raised
	2099	}
	2100	}
	2101	# forget all other pages
	2102	foreach child [pack slaves .n] {
	2103	pack forget $child
	2104	}
	2105	pack .n.$nextpage -anchor w -fill both -expand yes
	2106	foreach set $expgui(frameactionlist) {
	2107	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
	2108	}
	2109	}
	2110	#----------------------------------------------------------------------------
	2111	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
	2112	# Setup major frames here
	2113	frame $expgui(phaseFrame).top
	2114	set frameLatt [frame $expgui(phaseFrame).frameLatt]
	2115	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
	2116	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
	2117	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
	2118	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
	2119
	2120	grid $expgui(phaseFrame).top -sticky nws -row 0 -column 0
	2121	grid $frameLatt -sticky news -row 2 -column 0
	2122	grid $fbig -sticky news -row 3 -column 0
	2123	# give extra space to the atoms box
	2124	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
	2125	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
	2126	grid $frame3 -sticky news -row 4 -column 0
	2127	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
	2128	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
	2129	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0
	2130	# this is where the buttons will go
	2131	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
	2132
	2133
	2134	grid [label $expgui(phaseFrame).top.lA -textvariable entryvar(phasename) \
	2135	-fg blue -anchor center] -column 1 -row 0
	2136	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
	2137	# ------------- Lattice Parameter Box ------------------
	2138	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
	2139	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
	2140	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
	2141	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
	2142	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
	2143	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
	2144	set l1 [label $frameLatt.l1 -text "a"]
	2145	set l2 [label $frameLatt.l2 -text "b"]
	2146	set l3 [label $frameLatt.l3 -text "c"]
	2147	set l4 [label $frameLatt.l4 -text "alpha"]
	2148	set l5 [label $frameLatt.l5 -text "beta"]
	2149	set l6 [label $frameLatt.l6 -text "gamma"]
	2150	grid $e1 -column 1 -row 0 -padx 5
	2151	grid $e2 -column 3 -row 0 -padx 5
	2152	grid $e3 -column 5 -row 0 -padx 5
	2153	grid $e4 -column 1 -row 1 -padx 5
	2154	grid $e5 -column 3 -row 1 -padx 5
	2155	grid $e6 -column 5 -row 1 -padx 5
	2156	grid $l1 -column 0 -row 0 -padx 5 -sticky e
	2157	grid $l2 -column 2 -row 0 -padx 5 -sticky e
	2158	grid $l3 -column 4 -row 0 -padx 5 -sticky e
	2159	grid $l4 -column 0 -row 1 -padx 5 -sticky e
	2160	grid $l5 -column 2 -row 1 -padx 5 -sticky e
	2161	grid $l6 -column 4 -row 1 -padx 5 -sticky e
	2162
	2163	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
	2164	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
	2165	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
	2166	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
	2167	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
	2168	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
	2169
	2170	#-------------- Begin Atom Coordinates Box ---------------------------------
	2171	grid [listbox $fbig.title -height 1 -relief flat] \
	2172	-row 0 -column 0 -sticky ew
	2173	set expgui(atomtitle) $fbig.title
	2174	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
	2175	grid [listbox $fbig.lbox -height 10 \
	2176	-xscrollcommand " $fbig.bscr set"\
	2177	-yscrollcommand " $fbig.rscr set"\
	2178	] -row 1 -column 0 -sticky news
	2179	set expgui(atomlistbox) $fbig.lbox
	2180	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
	2181	grid [scrollbar $fbig.bscr -orient horizontal \
	2182	-command "move2boxes \" $fbig.title $fbig.lbox \" "
	2183	] -row 2 -column 0 -sticky ew
	2184	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
	2185	] -row 1 -column 1 -sticky ns
	2186	# give extra space to the atoms box
	2187	grid columnconfigure $fbig 0 -weight 1
	2188	grid rowconfigure $fbig 1 -weight 1
	2189
	2190	proc move2boxes {boxlist args} {
	2191	foreach listbox $boxlist {
	2192	eval $listbox xview $args
	2193	}
	2194	}
	2195	# BIND mouse in editbox
	2196	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
	2197	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
	2198
	2199	#-------------- End Atoms Section ---------------------------------
	2200
	2201	# --------------------------- Begin Edit Box -------------------------------
	2202	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
	2203	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
	2204
	2205	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
	2206	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
	2207
	2208	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
	2209	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
	2210	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
	2211	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
	2212	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
	2213	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
	2214
	2215	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
	2216	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
	2217
	2218	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
	2219	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
	2220	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
	2221	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
	2222	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
	2223	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
	2224	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
	2225	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
	2226	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
	2227
	2228	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
	2229	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
	2230
	2231	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
	2232	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
	2233
	2234	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
	2235	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
	2236	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
	2237	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
	2238	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
	2239	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
	2240	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
	2241	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
	2242	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
	2243	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
	2244
	2245	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
	2246	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
	2247	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
	2248	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
	2249	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
	2250	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
	2251	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
	2252	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
	2253
	2254
	2255	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
	2256	grid $f3f31 -column 0 -row 7 -columnspan 12
	2257	set expgui(anisolabels) {}
	2258	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
	2259	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
	2260	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
	2261	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
	2262	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
	2263	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
	2264
	2265	set expgui(anisoentry) {}
	2266	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
	2267	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
	2268	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
	2269	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
	2270	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
	2271	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
	2272
	2273	set col 0
	2274	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
	2275	grid $item1 -column $col -row 0 -sticky nsw -pady 3
	2276	incr col
	2277	grid $item2 -column $col -row 0 -sticky nsw -pady 3
	2278	incr col
	2279	}
	2280	# --------------------------- End Edit Box --------------------------------
	2281
	2282	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
	2283	#-----------------------------------------------------------------------------
	2284	#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 v v
	2285	grid [frame $expgui(histFrame).hs] \
	2286	-column 0 -row 0 -rowspan 10 -sticky nsew
	2287	grid columnconfigure $expgui(histFrame) 0 -weight 1
	2288	grid rowconfigure $expgui(histFrame) 1 -weight 1
	2289	grid rowconfigure $expgui(histFrame) 2 -weight 1
	2290	grid rowconfigure $expgui(histFrame) 3 -weight 1
	2291	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
	2292	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
	2293	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
	2294	-font $expgui(histfont) \
	2295	-xscrollcommand "$expgui(histFrame).hs.x set" \
	2296	-yscrollcommand "$expgui(histFrame).hs.y set" \
	2297	] -row 1 -column 0 -sticky news
	2298	lappend expgui(HistSelectList) $expgui(histFrame).hs
	2299	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
	2300	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
	2301	] -row 2 -column 0 -sticky ew
	2302	grid [scrollbar $expgui(histFrame).hs.y \
	2303	-command "$expgui(histFrame).hs.lbox yview"] \
	2304	-row 1 -column 1 -sticky ns
	2305	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
	2306	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
	2307	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
	2308	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
	2309	DisplayHistogram
	2310	}
	2311	bind $expgui(histFrame).hs.lbox <Button-3> {
	2312	if $expgui(globalmode) {
	2313	$expgui(histFrame).hs.lbox selection set 0 end
	2314	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
	2315	DisplayHistogram
	2316	}
	2317	}
	2318
	2319
	2320	frame $expgui(histFrame).top -borderwidth 4 -relief groove
	2321	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
	2322	if $expgui(havetix) {
[14]	2323	foreach item {backBox diffBox} num {2 3} \
	2324	title {Background "Diffractometer Constants"} {
[10]	2325	tixLabelFrame $expgui(histFrame).$item \
	2326	-borderwidth 4 -width 600 -height 100 -label $title
	2327	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
	2328	set expgui($item) [$expgui(histFrame).$item subwidget frame]
	2329	}
	2330	} else {
[14]	2331	foreach item {backBox diffBox} num {1 2} \
	2332	title {Background "Diffractometer Constants"} {
[10]	2333	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
	2334	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
	2335	set expgui($item) $expgui(histFrame).$item
[14]	2336	grid [label $expgui(histFrame).$item.title -text $title] \
	2337	-row 0 -column 0 -columnspan 10 -sticky nw
[10]	2338	}
	2339	}
	2340
	2341	# BACKGROUND information.
	2342	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
	2343	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
	2344	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
	2345	-row 1 -column 0 -sticky nws -padx 2 -pady 3
	2346	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
	2347	-row 1 -column 1 -sticky nws -padx 2 -pady 3
	2348	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
	2349	-command editbackground] \
	2350	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
	2351	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
	2352	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
	2353	-row 2 -column 1 -sticky news -padx 4 -pady 3
	2354	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
	2355	-variable entryvar(bref) ] \
	2356	-row 2 -column 2 -sticky news -padx 4 -pady 3
	2357	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
	2358	-row 2 -column 3 -sticky w -padx 2 -pady 3
	2359	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
	2360	grid $expgui(backBox).f1.om \
	2361	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
	2362
	2363	# DIFFRACTOMETER CONSTANTS SECTION
	2364
	2365	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
	2366	###############################################################################
[14]	2367	#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
[10]	2368
	2369	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
	2370	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
	2371	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
	2372	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
	2373	-font $expgui(histfont) \
	2374	-xscrollcommand "$expgui(fracFrame).hs.x set" \
	2375	-yscrollcommand "$expgui(fracFrame).hs.y set" \
	2376	] -row 1 -column 0 -sticky news
	2377	lappend expgui(HistSelectList) $expgui(fracFrame).hs
	2378	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
	2379	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
	2380	] -row 2 -column 0 -sticky ew
	2381	grid [scrollbar $expgui(fracFrame).hs.y \
	2382	-command "$expgui(fracFrame).hs.lbox yview"] \
	2383	-row 1 -column 1 -sticky ns
	2384	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
	2385	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
	2386	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
	2387	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
	2388	DisplayFrac
	2389	}
	2390	bind $expgui(fracFrame).hs.lbox <Button-3> {
	2391	if $expgui(globalmode) {
	2392	$expgui(fracFrame).hs.lbox selection set 0 end
	2393	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
	2394	DisplayFrac
	2395	}
	2396	}
	2397	pack [frame $expgui(fracFrame).f1] -fill both -expand true
[14]	2398	# Create a large canvas area containing a frame for each phase in the data set.
	2399	# The canvas and vertical scrollbar are inside a frame called f1
	2400	if $expgui(havetix) {
	2401	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
	2402	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
	2403	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
	2404	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
	2405	} else {
	2406	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
	2407	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
	2408	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
	2409	}
	2410	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
	2411	-row 1 -column 0 -sticky nws -padx 2 -pady 3
	2412	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
	2413	-row 1 -column 1 -sticky ew -padx 4 -pady 3
	2414	button $expgui(scaleBox).but1 -text "Set Globally" \
	2415	-command "editglobalparm histinfo scale {Scale Factor}"
[10]	2416
[14]	2417	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
	2418	-row 1 -column 2 -sticky nws -padx 2 -pady 3
	2419	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
	2420	-row 1 -column 3 -sticky news -padx 4 -pady 3
	2421	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
	2422	-row 1 -column 4 -sticky w -padx 2 -pady 3
	2423	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
	2424	grid $expgui(scaleBox).om \
	2425	-row 1 -column 5 -sticky news -padx 4 -pady 3
	2426	grid columnconfigure $expgui(scaleBox) 6 -weight 1
	2427
	2428	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
	2429	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
	2430	-sticky news -row 1 -column 0
	2431	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
	2432	-sticky ns -row 1 -column 1
	2433
	2434	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
	2435	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
	2436
	2437	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
	2438	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
	2439	frame $expgui(FracBox).f -bd 0
	2440	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
	2441
[10]	2442	# the rest of the page is created in DisplayFrac
[14]	2443	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
[10]	2444	###############################################################################
	2445	# 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 v v
	2446	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
	2447	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
	2448	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
	2449	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
	2450	-font $expgui(histfont) \
	2451	-xscrollcommand "$expgui(profFrame).hs.x set" \
	2452	-yscrollcommand "$expgui(profFrame).hs.y set" \
	2453	] -row 1 -column 0 -sticky news
	2454	lappend expgui(HistSelectList) $expgui(profFrame).hs
	2455	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
	2456	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
	2457	] -row 2 -column 0 -sticky ew
	2458	grid [scrollbar $expgui(profFrame).hs.y \
	2459	-command "$expgui(profFrame).hs.lbox yview"] \
	2460	-row 1 -column 1 -sticky ns
	2461	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
	2462	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
	2463	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
	2464	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
	2465	DisplayProfile
	2466	}
	2467	bind $expgui(profFrame).hs.lbox <Button-3> {
	2468	if $expgui(globalmode) {
	2469	$expgui(profFrame).hs.lbox selection set 0 end
	2470	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
	2471	DisplayProfile
	2472	}
	2473	}
	2474
	2475	# Create a large canvas area containing a frame for each phase in the data set.
	2476	# The canvas and vertical scrollbar are inside a frame called f1
	2477	pack [frame $expgui(profFrame).f1] -fill both -expand true
	2478	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
	2479	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
	2480	-sticky news -row 0 -column 0
	2481	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
	2482	-sticky ns -row 0 -column 1
	2483
	2484	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
	2485	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
	2486
	2487	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
	2488	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
	2489	frame $expgui(ProfileBox).f -bd 0
	2490	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
	2491
	2492	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
	2493	##############################################################################
	2494	# 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
	2495	array set printopts {
	2496	0 "Print the reciprocal metric tensor changes"
	2497	1 "Print the correlation matrix"
	2498	2 "Print the Least-Squares matrices and vectors"
	2499	4 "Print the linear constraint matrices"
	2500	5 "Print the applied shifts and shift factors"
	2501	6 "Print the reciprocal metric tensor Var-Covar terms"
	2502	7 "Print all parameters for each cycle"
	2503	8 "Print summary shift/esd data after last cycle"
	2504	9 "Print zero/unit pole figure constraint terms"
	2505	}
	2506	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
	2507	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
	2508	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
	2509	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
	2510	-font $expgui(histfont) \
	2511	-xscrollcommand "$expgui(lsFrame).hs.x set" \
	2512	-yscrollcommand "$expgui(lsFrame).hs.y set" \
	2513	] -row 1 -column 0 -sticky news
	2514	lappend expgui(HistSelectList) $expgui(lsFrame).hs
	2515	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
	2516	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
	2517	] -row 2 -column 0 -sticky ew
	2518	grid [scrollbar $expgui(lsFrame).hs.y \
	2519	-command "$expgui(lsFrame).hs.lbox yview"] \
	2520	-row 1 -column 1 -sticky ns
	2521	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
	2522	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
	2523	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
	2524	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
	2525	SetupExtractHist
	2526	}
	2527	bind $expgui(lsFrame).hs.lbox <Button-3> {
	2528	if $expgui(globalmode) {
	2529	$expgui(lsFrame).hs.lbox selection set 0 end
	2530	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
	2531	SetupExtractHist
	2532	}
	2533	}
	2534	# need to respond to mouse presses -- control variable associated with extract Fobs
	2535	# and set the LeBail extraction flags
	2536	proc SetupExtractHist {} {
	2537	global expgui entrycmd entryvar expmap
	2538
	2539	# display the selected histograms
	2540	$expgui(lsFrame).hs.lbox selection clear 0 end
	2541	foreach h $expgui(curhist) {
	2542	$expgui(lsFrame).hs.lbox selection set $h
	2543	}
	2544	# disable traces on entryvar for right now
	2545	set entrycmd(trace) 0
	2546
	2547	# get histogram list
	2548	set histlist {}
	2549	foreach item $expgui(curhist) {
	2550	lappend histlist [lindex $expmap(powderlist) $item]
	2551	}
	2552	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
	2553	if {[llength $histlist] == 1} {
	2554	set entryvar(fobsextract) [histinfo $histlist foextract]
	2555	foreach phase {1 2 3 4 5 6 7 8 9} {
	2556	# is the phase present?
	2557	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
	2558	$expgui(lsFrame).f1.a.l$phase config -fg grey
	2559	set expgui(Fextract$phase) {}
[12]	2560	# foreach item "a.ca$phase a.cb$phase a.cc$phase"
	2561	foreach item "a.ca$phase a.cc$phase" {
[10]	2562	$expgui(lsFrame).f1.$item config -state disabled -bd 1
	2563	}
	2564	} else {
	2565	$expgui(lsFrame).f1.a.l$phase config -fg black
[12]	2566	# foreach item "a.ca$phase a.cb$phase a.cc$phase"
	2567	foreach item "a.ca$phase a.cc$phase" {
[10]	2568	$expgui(lsFrame).f1.$item config -state normal -bd 2
	2569	}
	2570	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
	2571	}
	2572	}
	2573	} else {
	2574	# multiple histograms need phases in any histogram
	2575	foreach phase {1 2 3 4 5 6 7 8 9} {
	2576	set gotphase($phase) 0
	2577	}
	2578	foreach hist $histlist {
	2579	foreach phase $expmap(phaselist_$hist) {
	2580	set gotphase($phase) 1
	2581	}
	2582	}
	2583	foreach phase {1 2 3 4 5 6 7 8 9} {
	2584	set expgui(Fextract$phase) {}
	2585	if $gotphase($phase) {
	2586	$expgui(lsFrame).f1.a.l$phase config -fg black
	2587	foreach item "a.ca$phase a.cb$phase a.cc$phase" {
	2588	$expgui(lsFrame).f1.$item config -state normal -bd 2
	2589	}
	2590	} else {
	2591	$expgui(lsFrame).f1.a.l$phase config -fg grey
	2592	foreach item "a.ca$phase a.cb$phase a.cc$phase" {
	2593	$expgui(lsFrame).f1.$item config -state disabled -bd 1
	2594	}
	2595	}
	2596	}
	2597	}
	2598	# reenable traces
	2599	set entrycmd(trace) 1
	2600	}
	2601	# respond to a change in the fobs extraction method for a phase
	2602	# force the main extraction flag on, if fobs extraction is selected for any phase
	2603	proc HistExtractSet {phase} {
	2604	global expgui entryvar expmap
	2605	foreach item $expgui(curhist) {
	2606	lappend histlist [lindex $expmap(powderlist) $item]
	2607	}
	2608	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
	2609	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
	2610	}
	2611
	2612	pack [frame $expgui(lsFrame).f1] -fill both -expand true
	2613	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
[16]	2614	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row 0 -column 0
	2615	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
	2616	-textvariable expgui(last_History)] \
	2617	-row 0 -column 1 -columnspan 5 -sticky w
	2618	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
	2619	-row 1 -column 0 -columnspan 2 -pady 3
[10]	2620	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
	2621	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
	2622	-textvariable entryvar(cycles)] -row 0 -column 1
	2623	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
	2624	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
[16]	2625	] -row 1 -column 2
[10]	2626	menu $expgui(lsFrame).f1.lprint.menu
	2627	foreach num [lsort [array names printopts]] {
	2628	$expgui(lsFrame).f1.lprint.menu add checkbutton \
	2629	-label "$printopts($num) ([expr int(pow(2,$num))])"\
	2630	-variable entryvar(printopt$num)
	2631	}
[16]	2632	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row 1 -column 3
[10]	2633	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
	2634	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
	2635
	2636	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row 3 -column 0 -columnspan 6
	2637	foreach num {1 2 3 4 5 6 7 8 9} {
	2638	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
	2639	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
	2640	-command "HistExtractSet $num" \
	2641	-variable expgui(Fextract$num) -value 0] \
	2642	-row 2 -column $num
	2643	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
	2644	-command "HistExtractSet $num" \
	2645	-variable expgui(Fextract$num) -value 1] \
	2646	-row 3 -column $num
[12]	2647	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
	2648	# -command "HistExtractSet $num" \
	2649	# -variable expgui(Fextract$num) -value 2] \
	2650	# -row 4 -column $num
[10]	2651	}
	2652	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
	2653	-column 0 -columnspan 11 -row 0
	2654	grid [label $expgui(lsFrame).f1.a.t0 -text "Histogram #" -anchor c] -column 0 -row 1
	2655	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
	2656	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
[12]	2657	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
[10]	2658	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
[12]	2659	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
[10]	2660	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
	2661	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
	2662
	2663	#---- file menu button
	2664	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
	2665	menu $expgui(fm).file.menu
	2666	if $expgui(debug) {
	2667	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
	2668	-command "reset"
	2669	}
	2670	$expgui(fm).file.menu add command -label "Save" -underline 0 \
[14]	2671	-command {savearchiveexp $expfile}
[10]	2672	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
	2673	-command "SaveAsFile"
	2674	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
	2675	-command {rereadexp $expfile}
	2676	$expgui(fm).file.menu add command -label "Other .EXP file" -underline 0 \
	2677	-command {readnewexp}
	2678	#$expgui(fm).file.menu add command -label "Close" -underline 0
	2679	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
	2680
	2681	#---- help menu button
	2682	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
	2683	menu $expgui(fm).help.menu
	2684	$expgui(fm).help.menu add command -label "About..." -underline 0 -command { About }
	2685	#$expgui(fm).help.menu add command -label "GSAStk" -underline 0 -command { GSAStkHelp }
	2686
	2687	#---- options menu button
[16]	2688	menubutton $expgui(fm).option -text Options -underline 0 \
	2689	-menu $expgui(fm).option.menu
	2690	menu $expgui(fm).option.menu
	2691
	2692	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
	2693	-variable expgui(archive) -underline 0
	2694
	2695	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
[10]	2696	-label "Sort atoms by"
	2697
	2698	set expgui(asorttype) number
[16]	2699	menu $expgui(fm).option.menu.asort
	2700	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
[10]	2701	-label number -value number -variable expgui(asorttype)
[16]	2702	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
[10]	2703	-label type -value type -variable expgui(asorttype)
[16]	2704	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
[10]	2705	-label x -value x -variable expgui(asorttype)
[16]	2706	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
[10]	2707	-label y -value y -variable expgui(asorttype)
[16]	2708	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
[10]	2709	-label z -value z -variable expgui(asorttype)
	2710
	2711
[16]	2712	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
[10]	2713	-label "Sort histograms by"
	2714
	2715	set expgui(hsorttype) number
[16]	2716	menu $expgui(fm).option.menu.hsort
	2717	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	2718	-label number -value number -variable expgui(hsorttype)
[16]	2719	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	2720	-label "Histogram type" -value type -variable expgui(hsorttype)
[16]	2721	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	2722	-label "Bank #" -value bank -variable expgui(hsorttype)
[16]	2723	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
[10]	2724	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
	2725
[16]	2726	#---- Global mode menu button
	2727	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
	2728	-label "Global mode"
	2729	menu $expgui(fm).option.menu.editmode
	2730	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
	2731	-variable expgui(globalmode) -underline 0 -value 0\
	2732	-command sethistlist
	2733	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
	2734	-variable expgui(globalmode) -underline 0 -value 6 \
	2735	-command sethistlist
	2736	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
	2737	-variable expgui(globalmode) -underline 0 -value 1 \
	2738	-command sethistlist
	2739	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
	2740	-variable expgui(globalmode) -underline 0 -value 2 \
	2741	-command sethistlist
	2742	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
	2743	-variable expgui(globalmode) -underline 0 -value 3 \
	2744	-command sethistlist
	2745	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
	2746	-variable expgui(globalmode) -underline 0 -value 4 \
	2747	-command sethistlist
	2748	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
	2749	-variable expgui(globalmode) -underline 0 -value 5 \
	2750	-command sethistlist
	2751	set expgui(globalmode) 0
	2752
	2753	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
[10]	2754	pack $expgui(fm).help -side right -in $expgui(fm)
	2755
	2756	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
	2757
	2758	# handle indirect exits
	2759	wm protocol . WM_DELETE_WINDOW catchQuit
	2760	bind . <Control-c> catchQuit
	2761
	2762	loadexp $expfile

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