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source: trunk/liveplot @ 451

Last change on this file since 451 was 451, checked in by toby, 14 years ago
# on 2001/09/25 23:34:32, toby did: list only allowed histograms on submenu
Property rcs:author set to `toby` Property rcs:date set to `2001/09/25 23:34:32` Property rcs:lines set to `+48 -18` Property rcs:rev set to `1.19` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 49.5 KB

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1	#!/usr/local/bin/wish
2	# $Id: liveplot 451 2009-12-04 23:06:23Z toby $
3	set Revision {$Revision: 451 $ $Date: 2009-12-04 23:06:23 +0000 (Fri, 04 Dec 2009) $}
4
5	bind all <Control-KeyPress-c> {destroy .}
6	# process command line arguments
7	set exitstat 0
8	set expnam [lindex $argv 0]
9	if {$expnam == ""} {puts "error -- no experiment name"; set exitstat 1}
10	if $exitstat {
11	puts "usage: $argv0 expnam \[hist #\] \[legend\]"
12	destroy .
13	}
14	set program [file tail $argv0]
15	#set program bkgedit
16
17	if {[lindex $argv 1] == ""} {
18	set hst 1
19	} else {
20	set hst [lindex $argv 1]
21	}
22	if {[lindex $argv 2] == ""} {
23	set graph(legend) 1
24	} else {
25	set graph(legend) [lindex $argv 2]
26	}
27
28	set graph(backsub) 0
29
30	if {$tcl_platform(platform) == "windows"} {
31	set graph(printout) 1
32	set expgui(tcldump) tcldump.exe
33	} else {
34	set graph(printout) 0
35	set expgui(tcldump) tcldump
36	}
37
38	# default values
39	set graph(outname) out.ps
40	set graph(outcmd) lpr
41	set xunits {}
42	set yunits {}
43	set graph(chi2) 0
44	set graph(xunits) 0
45	set graph(yunits) 0
46	set graph(autoraise) 1
47	set graph(color_diff) blue
48	set graph(color_chi2) magenta
49	set graph(color_bkg) green
50	set graph(color_calc) red
51	set graph(color_obs) black
52	set graph(color_input) magenta
53	set graph(color_fit) blue
54	set expgui(debug) 0
55	catch {if $env(DEBUG) {set expgui(debug) 1}}
56	#set expgui(debug) 1
57	set expgui(font) 14
58	set expgui(lblfontsize) 15
59	set expgui(fadetime) 10
60	set expgui(hklbox) 1
61	set expgui(autotick) 0
62	set expgui(pixelregion) 5
63	# location for web pages, if not found locally
64	set expgui(website) www.ncnr.nist.gov/xtal/software/expgui
65	set peakinfo(obssym) scross
66	set peakinfo(obssize) 1.0
67	set peakinfo(inpsym) triangle
68	set peakinfo(inpsize) 1.0
69	# create a set of markers for each phase
70	for {set i 1} {$i < 10} {incr i} {
71	set peakinfo(flag$i) 0
72	set peakinfo(max$i) Inf
73	set peakinfo(min$i) -Inf
74	set peakinfo(dashes$i) 1
75	}
76
77	if [catch {package require BLT} errmsg] {
78	tk_dialog .err "BLT Error" "Error -- Unable to load the BLT package" \
79	error 0 Quit
80	destroy .
81	}
82	# handle Tcl/Tk v8+ where BLT is in a namespace
83	# use the command so that it is loaded
84	catch {blt::graph}
85	catch {
86	namespace import blt::graph
87	namespace import blt::vector
88	}
89	# old versions of blt don't report a version number
90	if [catch {set blt_version}] {set blt_version 0}
91	# option for coloring markers: note that GH keeps changing how to do this!
92	# also element -mapped => -show
93	if {$blt_version < 2.3 \|\| $blt_version >= 8.0} {
94	# version 8.0 is ~same as 2.3
95	set graph(MarkerColorOpt) -fg
96	# mapped is needed in 8.0, both are OK in 2.3
97	set graph(ElementShowOption) "-mapped 1"
98	set graph(ElementHideOption) "-mapped 0"
99	} elseif {$blt_version >= 2.4} {
100	set graph(MarkerColorOpt) -outline
101	set graph(ElementShowOption) "-hide 0"
102	set graph(ElementHideOption) "-hide 1"
103	} else {
104	set graph(MarkerColorOpt) -color
105	set graph(ElementShowOption) "-mapped 1"
106	set graph(ElementHideOption) "-mapped 0"
107	}
108
109	proc waitmsg {message} {
110	set w .wait
111	# kill any window/frame with this name
112	catch {destroy $w}
113	pack [frame $w]
114	frame $w.bot -relief raised -bd 1
115	pack $w.bot -side bottom -fill both
116	frame $w.top -relief raised -bd 1
117	pack $w.top -side top -fill both -expand 1
118	label $w.msg -justify left -text $message -wrap 3i
119	catch {$w.msg configure -font \
120	-Adobe-Times-Medium-R-Normal---180------*
121	}
122	pack $w.msg -in $w.top -side right -expand 1 -fill both -padx 3m -pady 3m
123	label $w.bitmap -bitmap info
124	pack $w.bitmap -in $w.top -side left -padx 3m -pady 3m
125	update
126	}
127
128	proc donewaitmsg {} {
129	catch {destroy .wait}
130	update
131	}
132
133	waitmsg "Loading histogram, Please wait"
134
135	#--------------------------------------------------------------
136	# define constants
137	array set peakinfo {
138	color1 magenta
139	color2 cyan
140	color3 yellow
141	color4 sienna
142	color5 orange
143	color6 DarkViolet
144	color7 HotPink
145	color8 salmon
146	color9 LimeGreen
147	}
148	set cycle -1
149	set modtime 0
150
151	#----------------------------------------------------------------
152	# where are we?
153	set expgui(script) [info script]
154	# translate links -- go six levels deep
155	foreach i {1 2 3 4 5 6} {
156	if {[file type $expgui(script)] == "link"} {
157	set link [file readlink $expgui(script)]
158	if { [file pathtype $link] == "absolute" } {
159	set expgui(script) $link
160	} {
161	set expgui(script) [file dirname $expgui(script)]/$link
162	}
163	} else {
164	break
165	}
166	}
167
168	# fixup relative paths
169	if {[file pathtype $expgui(script)] == "relative"} {
170	set expgui(script) [file join [pwd] $expgui(script)]
171	}
172	set expgui(scriptdir) [file dirname $expgui(script) ]
173	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
174	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
175	set expgui(docdir) [file join $expgui(scriptdir) doc]
176
177	# called by a trace on expgui(lblfontsize)
178	proc setfontsize {a b c} {
179	global expgui graph
180	catch {
181	font config lblfont -size [expr -$expgui(lblfontsize)]
182	# this forces a redraw of the plot by changing the title to itself
183	.g configure -title [.g cget -title]
184	}
185	}
186	# define a font used for labels
187	if {$tcl_version >= 8.0} {
188	font create lblfont -family Helvetica -size [expr -$expgui(lblfontsize)]
189	trace variable expgui(lblfontsize) w setfontsize
190	}
191
192	proc readdata {box} {
193	global expgui modtime expnam
194	if [catch {
195	set modtime [file mtime $expnam.EXP]
196	set loadtime [time {
197	if {$expgui(tcldump) == ""} {
198	readdata_hst $box
199	} else {
200	readdata_tcl $box
201	}
202	}]
203	if $expgui(debug) {
204	tk_dialog .time "Timing info" \
205	"Histogram loading took $loadtime" "" 0 OK
206	}
207	} errmsg] {
208	if $expgui(debug) {
209	catch {console show}
210	error $errmsg
211	}
212	$box config -title "Read error"
213	tk_dialog .err "Read Error" "Read Error -- $errmsg" \
214	error 0 OK
215	update
216	}
217	$box element show [lsort -decreasing [$box element show]]
218	global program
219	if {$program == "bkgedit"} bkghstInit
220	}
221
222	proc readdata_hst {box} {
223	global expgui expnam reflns
224	global lasthst
225	global hst peakinfo xunits
226	$box config -title "(Histogram update in progress)"
227	update
228	# parse the output of a file
229	set lasthst $hst
230	###########################################################################
231	# set input [open histdump.inp w]
232	# puts $input "$hst"
233	# close $input
234	# set input [open "\| $expgui(gsasexe)/hstdump $expnam < histdump.inp" w+]
235	###########################################################################
236	# use histdmp for histogram info
237	set input [open histdump$hst.inp w]
238	puts $input "$expnam"
239	puts $input "L"
240	puts $input "$hst"
241	puts $input "0"
242	close $input
243	# use hstdmp without an experiment name so that output
244	# is not sent to the .LST file
245	set input [open "\| $expgui(gsasexe)/hstdmp < histdump$hst.inp" r]
246
247	# initalize arrays
248	set num -1
249	set xlist {}
250	set obslist {}
251	set calclist {}
252	set bcklist {}
253	set xunits {}
254	# define a list of reflection positions for each phase
255	for {set i 1} {$i < 10} {incr i} {
256	set reflns($i) {}
257	}
258	set i 0
259	while {[gets $input line] >= 0} {
260	incr i
261	# run update every 50th line
262	if {$i > 50} {set i 0; update}
263	if [scan $line %d num] {
264	if {$num > 0} {
265	set Ispec 0
266	set X -999
267	scan [string range $line 8 end] %e%e%e%e%e%e \
268	X Iobs Icalc Ispec fixB fitB
269	#puts $line
270	# eliminate excluded points
271	if {$Ispec > 0.0 && $X >= 0} {
272	lappend xlist $X
273	lappend obslist $Iobs
274	lappend calclist $Icalc
275	lappend bcklist [expr $fixB + $fitB]
276	}
277	# add peaks to peak lists
278	# puts "[string range $line 6 6]"
279	# is this 6 or 7; 6 on win & 7 on SGI
280	if [regexp {[1-9]} [string range $line 6 7] ph] {
281	lappend reflns($ph) $X
282	}
283	}
284	} else {
285	regexp {Time\|Theta\|keV} $line xunits
286	}
287	}
288	if {$xunits == "Theta"} {set xunits "2-Theta"}
289	close $input
290	catch {file delete histdump$hst.inp}
291	xvec set $xlist
292	obsvec set $obslist
293	calcvec set $calclist
294	bckvec set $bcklist
295	diffvec set [obsvec - calcvec]
296	global obsvec calcvec diffvec
297	set maxdiff [set diffvec(max)]
298	set cmin [set calcvec(min)]
299	set omin [set obsvec(min)]
300	set cmax [set calcvec(max)]
301	set omax [set obsvec(max)]
302	set expgui(min) [expr $omin < $cmin ? $omin : $cmin]
303	set expgui(max) [expr $omax > $cmax ? $omax : $cmax]
304	set ymin1 [expr $cmin - 1.1*$maxdiff]
305	set ymin2 [expr $omin - 1.1*$maxdiff]
306	if {$ymin1 < $ymin2} {
307	diffvec set [diffvec + $ymin1]
308	} {
309	diffvec set [diffvec + $ymin2]
310	}
311	plotdata
312	}
313
314	proc readdata_tcl {box} {
315	global expgui expnam reflns
316	global lasthst graph
317	global hst peakinfo xunits yunits
318	$box config -title "(Histogram update in progress)"
319	update
320	# parse the output of a file
321	set lasthst $hst
322	# use tcldump
323	set input [open histdump$hst.inp w]
324	puts $input "$hst"
325	# x units -- native
326	puts $input "$graph(xunits)"
327	# y units -- native
328	puts $input "$graph(yunits)"
329	# format (if implemented someday)
330	puts $input "0"
331	close $input
332	# initalize arrays
333	set X {}
334	set OBS {}
335	set CALC {}
336	set BKG {}
337	set WGT {}
338	global refhkllist refphaselist refpos
339	set refpos {}
340	set refhkllist {}
341	set refphaselist {}
342	for {set i 1} {$i < 10} {incr i} {
343	set reflns($i) {}
344	}
345	eval [exec $expgui(tcldump) $expnam < histdump$hst.inp]
346	catch {file delete histdump$hst.inp}
347	if {$X == ""} {
348	$box config -title "(Error reading Histogram $hst)"
349	foreach elem [$box element show] {
350	eval $box element config $elem $graph(ElementHideOption)
351	}
352	return
353	}
354	foreach elem [$box element names] {
355	eval $box element config $elem $graph(ElementShowOption)
356	}
357	xvec set $X
358	obsvec set $OBS
359	calcvec set $CALC
360	bckvec set $BKG
361	refposvec set $refpos
362	diffvec set [obsvec - calcvec]
363	if {$graph(chi2)} {
364	wifdvec set $WGT
365	wifdvec set [wifdvec * diffvec]
366	wifdvec set [wifdvec * diffvec]
367	# now do a running sum
368	set sum 0
369	set sumlist {}
370	foreach n [wifdvec range 0 end] {
371	set sum [expr $sum + $n]
372	lappend sumlist $sum
373	}
374	wifdvec set $sumlist
375	wifdvec set [wifdvec / [wifdvec length]]
376	}
377	if $graph(backsub) {
378	obsvec set [obsvec - bckvec]
379	calcvec set [calcvec - bckvec]
380	}
381	global obsvec calcvec diffvec
382	set maxdiff [set diffvec(max)]
383	set cmin [set calcvec(min)]
384	set omin [set obsvec(min)]
385	set cmax [set calcvec(max)]
386	set omax [set obsvec(max)]
387	set expgui(min) [expr $omin < $cmin ? $omin : $cmin]
388	set expgui(max) [expr $omax > $cmax ? $omax : $cmax]
389	set ymin1 [expr $cmin - 1.1*$maxdiff]
390	set ymin2 [expr $omin - 1.1*$maxdiff]
391	if {$ymin1 < $ymin2} {
392	diffvec set [diffvec + $ymin1]
393	} {
394	diffvec set [diffvec + $ymin2]
395	}
396
397	plotdata
398	}
399
400	proc lblhkl {plot x} {
401	global blt_version expgui tcl_platform tcl_version
402	global refhkllist refphaselist peakinfo refpos
403	# look for peaks within pixelregion pixels
404	set xmin [$plot xaxis invtransform [expr $x - $expgui(pixelregion)]]
405	set xmax [$plot xaxis invtransform [expr $x + $expgui(pixelregion)]]
406	set peaknums [refposvec search $xmin $xmax]
407	set peaklist {}
408	set xcen 0
409	# select by displayed phases
410	set lbls 0
411	if {$expgui(hklbox)} {
412	catch {
413	toplevel .hkl
414	text .hkl.txt -width 30 -height 10 -wrap none \
415	-yscrollcommand ".hkl.yscroll set"
416	scrollbar .hkl.yscroll -command ".hkl.txt yview"
417	grid .hkl.txt -column 0 -row 1 -sticky nsew
418	grid .hkl.yscroll -column 1 -row 1 -sticky ns
419	grid columnconfigure .hkl 0 -weight 1
420	grid rowconfigure .hkl 1 -weight 1
421	wm title .hkl "Liveplot HKL Labels"
422	wm iconname .hkl HKL
423	.hkl.txt insert end "Phase\thkl\tPosition"
424	}
425	}
426	foreach peak $peaknums {
427	if {$expgui(hklbox)} {
428	catch {
429	.hkl.txt insert end "\n[lindex $refphaselist $peak]"
430	.hkl.txt insert end "\t[lindex $refhkllist $peak]"
431	.hkl.txt insert end "\t[lindex $refpos $peak]"
432	.hkl.txt see end
433	}
434	}
435	if [set peakinfo(flag[lindex $refphaselist $peak])] {
436	set xcen [expr $xcen + [refposvec range $peak $peak]]
437	lappend peaklist [lindex $refhkllist $peak]
438	incr lbls
439	}
440	}
441	if {$peaklist == ""} return
442	set xcen [expr $xcen / $lbls]
443	# avoid bug in BLT 2.3 where Inf does not work for text markers
444	if {$blt_version == 2.3} {
445	set ycen [lindex [$plot yaxis limits] 1]
446	} else {
447	set ycen Inf
448	}
449	if {$tcl_platform(platform) == "windows"} {
450	# at least right now, text can't be rotated in windows
451	regsub -all { } $peaklist "\n" peaklist
452	set mark [$plot marker create text -coords "$xcen $ycen" \
453	-text $peaklist -anchor n -bg "" -name hkl$xcen]
454	} else {
455	set mark [$plot marker create text -coords "$xcen $ycen" \
456	-rotate 90 -text $peaklist -anchor n -bg "" -name hkl$xcen]
457	}
458	if {$tcl_version >= 8.0} {
459	$plot marker config hkl$xcen -font lblfont
460	}
461	if {$expgui(fadetime) > 0} {
462	catch {
463	after [expr $expgui(fadetime) * 1000 ] \
464	"catch \{ $plot marker delete $mark \}"
465	}
466	}
467	}
468
469	proc delallhkllbl {plot} {
470	catch {
471	eval $plot marker delete [$plot marker names hkl*]
472	}
473	}
474
475	proc plotdata {} {
476	global expnam hst peakinfo xunits yunits cycle reflns modtime
477	global lasthst graph expgui box
478
479	# is there a new histogram to load?
480	if {$hst != $lasthst} {
481	xvec set {}
482	xvec notify now
483	set cycle -1
484	set modtime 0
485	$box config -title "Please wait: loading histogram $hst"
486	update
487	return
488	}
489	$box config -title "$expnam cycle $cycle Hist $hst"
490	$box xaxis config -title $xunits
491	$box yaxis config -title $yunits
492	setlegend $box $graph(legend)
493	# reconfigure the data
494	$box element configure 3 \
495	-symbol $peakinfo(obssym) -color $graph(color_obs) \
496	-pixels [expr 0.125 * $peakinfo(obssize)]i
497	$box element config 0 -color $graph(color_chi2)
498	$box element config 1 -color $graph(color_bkg)
499	$box element config 2 -color $graph(color_calc)
500	$box element config 4 -color $graph(color_diff)
501	global program
502	if {$program == "bkgedit"} {
503	$box element config 12 -color $graph(color_input) \
504	-pixels [expr 0.125 * $peakinfo(inpsize)]i \
505	-symbol $peakinfo(inpsym)
506	$box element config 11 -color $graph(color_fit)
507	}
508	xvec notify now
509	obsvec notify now
510	calcvec notify now
511	bckvec notify now
512	diffvec notify now
513	wifdvec notify now
514	# now deal with peaks
515	for {set i 1} {$i < 10} {incr i} {
516	if {$expgui(autotick)} {
517	set div [expr ( $expgui(max) - $expgui(min) )/40.]
518	set ymin [expr $expgui(min) - ($i+1) * $div]
519	set ymax [expr $expgui(min) - $i * $div]
520	} else {
521	set ymin $peakinfo(min$i)
522	set ymax $peakinfo(max$i)
523	}
524	set j 0
525	if [set peakinfo(flag$i)] {
526	foreach X $reflns($i) {
527	incr j
528	catch {
529	$box marker create line -name peaks${i}_$j
530	}
531	$box marker config peaks${i}_$j -under 1 \
532	-coords "$X $ymin $X $ymax"
533	catch {
534	$box marker config peaks${i}_$j \
535	$graph(MarkerColorOpt) [list $peakinfo(color$i)]
536	if $peakinfo(dashes$i) {
537	$box marker config peaks${i}_$j -dashes "5 5"
538	}
539	}
540	}
541	catch {$box element create phase$i}
542	catch {
543	$box element config phase$i -color $peakinfo(color$i)
544	}
545	} else {
546	eval $box marker delete [$box marker names peaks${i}_*]
547	eval $box element delete [$box element names phase$i]
548	}
549	}
550	# force an update of the plot as BLT may not
551	$box config -title [$box cget -title]
552	update
553	}
554
555	proc setlegend {box legend} {
556	global blt_version
557	if {$blt_version >= 2.3 && $blt_version < 8.0} {
558	if $legend {
559	$box legend config -hide no
560	} else {
561	$box legend config -hide yes
562	}
563	} else {
564	if $legend {
565	$box legend config -mapped yes
566	} else {
567	$box legend config -mapped no
568	}
569	}
570	}
571
572	proc minioptionsbox {num} {
573	global blt_version tcl_platform peakinfo expgui
574	set bx .opt$num
575	catch {destroy $bx}
576	toplevel $bx
577	wm iconname $bx "Phase $num options"
578	wm title $bx "Phase $num options"
579
580	set i $num
581	pack [label $bx.0 -text "Phase $i reflns" ] -side top
582	pack [checkbutton $bx.1 -text "Show reflections" \
583	-variable peakinfo(flag$i)] -side top
584	# remove option that does not work
585	if {$blt_version != 8.0 \|\| $tcl_platform(platform) != "windows"} {
586	pack [checkbutton $bx.2 -text "Use dashed line" \
587	-variable peakinfo(dashes$i)] -side top
588	}
589	if !$expgui(autotick) {
590	pack [frame $bx.p$i -bd 2 -relief groove] -side top
591	# pack [checkbutton $bx.p$i.0 -text "Show phase $i reflns" \
592	# -variable peakinfo(flag$i)] -side left -anchor w
593	pack [label $bx.p$i.1 -text " Y min:"] -side left
594	pack [entry $bx.p$i.2 -textvariable peakinfo(min$i) -width 5] \
595	-side left
596	pack [label $bx.p$i.3 -text " Y max:"] -side left
597	pack [entry $bx.p$i.4 -textvariable peakinfo(max$i) -width 5] \
598	-side left
599	}
600	pack [frame $bx.c$i -bd 2 -relief groove] -side top
601
602	pack [label $bx.c$i.5 -text " color:"] -side left
603	pack [entry $bx.c$i.6 -textvariable peakinfo(color$i) -width 12] \
604	-side left
605	pack [button $bx.c$i.2 -bg $peakinfo(color$i) -state disabled] -side left
606	pack [button $bx.c$i.1 -text "Color\nmenu" \
607	-command "setcolor $i"] -side left
608	pack [frame $bx.b] -side top
609	#pack [button $bx.b.1 -command plotdata -text "Update Plot"] \
610	# -side left
611	pack [button $bx.b.4 -command "destroy $bx" -text Close ] -side right
612	}
613
614	proc setcolor {num} {
615	global peakinfo
616	set color [tk_chooseColor -initialcolor $peakinfo(color$num) -title "Choose color"]
617	if {$color == ""} return
618	set peakinfo(color$num) $color
619	}
620
621	proc makepostscriptout {} {
622	global graph box
623	if !$graph(printout) {
624	set out [open "\| $graph(outcmd) >& liveplot.msg" w]
625	catch {
626	puts $out [$box postscript output -landscape 1 \
627	-decorations no -height 7.i -width 9.5i]
628	close $out
629	} msg
630	catch {
631	set out [open liveplot.msg r]
632	if {$msg != ""} {append msg "\n"}
633	append msg [read $out]
634	close $out
635	catch {file delete liveplot.msg}
636	}
637	if {$msg != ""} {
638	tk_dialog .msg "file created" \
639	"Postscript file processed with command \
640	$graph(outcmd). Result: $msg" "" 0 OK
641	} else {
642	tk_dialog .msg "file created" \
643	"Postscript file processed with command \
644	$graph(outcmd)" "" 0 OK
645	}
646	} else {
647	$box postscript output $graph(outname) -landscape 1 \
648	-decorations no -height 7.i -width 9.5i
649	tk_dialog .msg "file created" \
650	"Postscript file $graph(outname) created" "" 0 OK
651	}
652	}
653
654	proc setprintopt {page} {
655	global graph
656	if $graph(printout) {
657	$page.4.1 config -fg black
658	$page.4.2 config -fg black -state normal
659	$page.6.1 config -fg #888
660	$page.6.2 config -fg #888 -state disabled
661	} else {
662	$page.4.1 config -fg #888
663	$page.4.2 config -fg #888 -state disabled
664	$page.6.1 config -fg black
665	$page.6.2 config -fg black -state normal
666	}
667	}
668
669	proc setpostscriptout {} {
670	global graph tcl_platform
671	set box .out
672	catch {destroy $box}
673	toplevel $box
674	focus $box
675	pack [frame $box.4] -side top -anchor w -fill x
676	pack [checkbutton $box.4.a -text "Write PostScript files" \
677	-variable graph(printout) -offvalue 0 -onvalue 1 \
678	-command "setprintopt $box"] -side left -anchor w
679	pack [entry $box.4.2 -textvariable graph(outname)] -side right -anchor w
680	pack [label $box.4.1 -text "PostScript file name:"] -side right -anchor w
681	pack [frame $box.6] -side top -anchor w -fill x
682	pack [checkbutton $box.6.a -text "Print PostScript files" \
683	-variable graph(printout) -offvalue 1 -onvalue 0 \
684	-command "setprintopt $box" ] -side left -anchor w
685	pack [entry $box.6.2 -textvariable graph(outcmd)] -side right -anchor w
686	pack [label $box.6.1 -text "Command to print files:"] -side right -anchor w
687
688	pack [button $box.a -text "Close" -command "destroy $box"] -side top
689	if {$tcl_platform(platform) == "windows"} {
690	set graph(printout) 1
691	$box.4.a config -state disabled
692	$box.6.a config -fg #888 -state disabled
693	}
694	setprintopt $box
695	}
696
697	proc setlblopts {} {
698	global expgui tcl_platform tcl_version
699	set box .out
700	catch {destroy $box}
701	toplevel $box
702	focus $box
703	pack [frame $box.c] -side top -anchor w
704	pack [label $box.c.l -text "HKL label\nerase time:"] -side left
705	pack [entry $box.c.e -textvariable expgui(fadetime) -width 8] \
706	-side left
707	pack [label $box.c.l1 -text seconds] -side left
708	pack [frame $box.d] -side top -anchor w
709	pack [label $box.d.l -text "HKL label size:"] -side left
710	pack [entry $box.d.e -textvariable expgui(lblfontsize) -width 4] \
711	-side left
712	pack [label $box.d.l1 -text pixels] -side left
713	# old versions if tcl/tk don't support the font command
714	if {$tcl_version < 8.0} {
715	$box.d.l config -fg #888
716	$box.d.e config -fg #888 -state disabled
717	$box.d.l1 config -fg #888
718	}
719	pack [frame $box.f] -side top -anchor w
720	pack [label $box.f.l -text "HKL search region:"] -side left
721	pack [entry $box.f.e -textvariable expgui(pixelregion) -width 3] \
722	-side left
723	pack [label $box.f.l1 -text pixels] -side left
724	pack [frame $box.e] -side top -anchor w
725	pack [checkbutton $box.e.b -text "Separate window for HKL labels"\
726	-variable expgui(hklbox)] -side left
727	pack [button $box.a -text "Close" -command "destroy $box"] -side top
728	}
729
730	proc getsymopts {"sym obs"} {
731	global expgui peakinfo
732	set box .out
733	catch {destroy $box}
734	toplevel $box
735	focus $box
736	wm title .out "set $sym symbol"
737	pack [frame $box.d] -side left -anchor n
738	pack [label $box.d.t -text "Symbol type"] -side top
739	set expgui(sym) $peakinfo(${sym}sym)
740	set expgui(size) $peakinfo(${sym}size)
741	foreach symbol {square circle diamond triangle plus cross \
742	splus scross} \
743	symbol_name {square circle diamond triangle plus cross \
744	thin-plus thin-cross} {
745	pack [radiobutton $box.d.$symbol \
746	-text $symbol_name -variable expgui(sym) \
747	-value $symbol] -side top -anchor w
748	}
749	pack [frame $box.e] -side left -anchor n -fill y
750	pack [label $box.e.l -text "Symbol Size"] -side top
751	pack [scale $box.e.s -variable expgui(size) \
752	-from .1 -to 3 -resolution 0.05] -side top
753	pack [frame $box.a] -side bottom
754	pack [button $box.a.1 -text "Apply" -command "setsymopts $sym"] -side left
755	pack [button $box.a.2 -text "Close" -command "destroy $box"] -side left
756	}
757	proc setsymopts {sym} {
758	global peakinfo expgui
759	if {$peakinfo(${sym}sym) != $expgui(sym)} {set peakinfo(${sym}sym) $expgui(sym)}
760	if {$peakinfo(${sym}size) != $expgui(size)} {set peakinfo(${sym}size) $expgui(size)}
761	}
762
763	# save some of the global options in ~/.gsas_config
764	proc SaveOptions {} {
765	global graph expgui peakinfo
766	set fp [open [file join ~ .gsas_config] a]
767	foreach v {printout legend outname outcmd autoraise chi2} {
768	puts $fp "set graph($v) $graph($v)"
769	}
770	foreach v {diff chi2 bkg calc obs input fit} {
771	puts $fp "set graph(color_$v) $graph(color_$v)"
772	}
773	foreach v {font lblfontsize fadetime hklbox pixelregion autotick} {
774	puts $fp "set expgui($v) $expgui($v)"
775	}
776	foreach v {obssym obssize inpsym inpsize} {
777	puts $fp "set peakinfo($v) $peakinfo($v)"
778	}
779	close $fp
780	}
781
782	proc aboutliveplot {} {
783	global Revision
784	tk_dialog .warn About "
785	GSAS\n\
786	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
787	LIVEPLOT\nB. Toby, NIST\nNot subject to copyright\n\n\
788	$Revision\n\
789	" {} 0 OK
790	}
791
792	proc getcycle {} {
793	global expnam
794	set cycle -1
795	catch {
796	set fp [open $expnam.EXP r]
797	set text [read $fp]
798	close $fp
799	regexp {GNLS RUN.Total cycles run ([0-9]*) } $text x cycle
800	}
801	return $cycle
802	}
803
804	proc updateifnew {} {
805	global cycle modtime expnam env tcl_platform graph
806	# has the .EXP file been changed?
807	if {[file mtime $expnam.EXP] != $modtime} {
808	# are we in windows and are "locked?" If not, OK to update
809	if {$tcl_platform(platform) == "windows" && [file exists expgui.lck]} {
810	.g config -title "(Experiment directory locked)"
811	} else {
812	set modtime [file mtime $expnam.EXP]
813	set newcycle [getcycle]
814	if {$newcycle != $cycle} {
815	set cycle $newcycle
816	readdata .g
817	}
818	if {$tcl_platform(platform) == "windows" && $graph(autoraise)} {
819	# raise does not seem to be global in Windows,
820	# but this works in Win-95
821	# nothing seems to work in Win-NT
822	wm withdraw .
823	wm deiconify .
824	} elseif {$graph(autoraise)} {
825	raise .
826	}
827	}
828	}
829	# check again in a second
830	after 1000 updateifnew
831	}
832
833	proc plotdataupdate {array element action} {
834	global box peakinfo reflns graph
835	# parse the element
836	regexp {([a-z])([0-9])} $element junk var num
837	if {$var == "color"} {
838	if {$peakinfo($element) == ""} return
839	if [catch {
840	.opt$num.c$num.2 config -bg $peakinfo($element)
841	} ] return
842	set i $num
843	set j 0
844	if [set peakinfo(flag$i)] {
845	catch {
846	$box element config phase$i -color $peakinfo(color$i)
847	}
848	foreach X $reflns($i) {
849	incr j
850	catch {
851	$box marker config peaks${i}_$j \
852	$graph(MarkerColorOpt) [list $peakinfo(color$i)]
853	}
854	}
855	}
856	return
857	}
858	waitmsg {Updating}
859	plotdata
860	donewaitmsg
861	}
862	proc ShowCumulativeChi2 {} {
863	global graph box
864	if $graph(chi2) {
865	eval $box y2axis config $graph(ElementShowOption)
866	eval $box element config 0 $graph(ElementShowOption) -label "Chi2"
867	set cycle [getcycle]
868	readdata .g
869	} else {
870	eval $box element config 0 $graph(ElementHideOption)
871	eval $box y2axis config $graph(ElementHideOption)
872	$box element config 0 -label ""
873	}
874	}
875	# evaluate the Chebyshev polynomial with coefficients A at point x
876	# coordinates are rescaled from $xmin=-1 to $xmax=1
877	proc chebeval {A x xmin xmax} {
878	set xs [expr {-1 + 2 * (1.$x - $xmin) / (1.$xmax - 1.*$xmin)}]
879	set Tpp 0
880	set Tp 0
881	set total 0
882	foreach a $A {
883	if {$Tpp == $Tp && $Tp == 0} {
884	set T 1
885	} elseif {$Tpp == 0} {
886	set T $xs
887	} else {
888	set T [expr {2. * $xs * $Tp - $Tpp}]
889	}
890	set total [expr {$total + $a * $T}]
891	set Tpp $Tp
892	set Tp $T
893	}
894	return $total
895	}
896
897	# determine a very approximate set of Chebyshev coefficients of order n
898	# to compute Y from X (fast but not very good)
899	proc chebgen {X Y xmin xmax n} {
900	if {[llength $X] != [llength $Y]} return
901	set xnorm [expr {2. / ($xmax - $xmin)}]
902	set pi [expr {2*asin(1)}]
903	set a(0) 0.
904	for {set i 1} {$i < $n} {incr i} {set a($i) 0.}
905	foreach x1 $X x2 [lrange $X 1 end] y1 $Y y2 [lrange $Y 1 end] {
906	if {$x2 == ""} break
907	set xs1 [expr {-1 + ($x1 - $xmin) * $xnorm}]
908	set th1 [expr {acos(-1 + ($x1 - $xmin) * $xnorm)}]
909	set xs2 [expr {-1 + ($x2 - $xmin) * $xnorm}]
910	set th2 [expr {acos(-1 + ($x2 - $xmin) * $xnorm)}]
911	set thbar [expr {($th1 + $th2)/2.}]
912	set dth [expr {$th1 - $th2}]
913	set xsbar [expr {cos($thbar)}]
914	set ybar [expr {($xsbar - $xs1) / ($xs2 - $xs1) * ($y2 - $y1) + $y1}]
915	# seems to work better starting with just 2 terms
916	# for {set i 0} {$i < $n} {incr i}
917	for {set i 0} {$i < 2} {incr i} {
918	set a($i) [expr {$a($i) + $ybar * cos($i$thbar) $dth}]
919	}
920	}
921	set A [expr {$a(0) / $pi}]
922	for {set i 1} {$i < $n} {incr i} {
923	lappend A [expr {2 * $a($i) / $pi}]
924	}
925	return $A
926	}
927
928	# disable the improve fit button
929	proc bkgResetFit {} {
930	.bkg.f.fit2 config -state disabled
931	}
932
933	# enable the improve fit button, if appropriate
934	proc bkgMoreFit {} {
935	global cheblist
936	if {[llength $cheblist] < 2} {bkgResetFit;return}
937	.bkg.f.fit2 config -state normal
938	}
939
940	# perform a Gauss-Newton fit to optimize Chebyshev coefficients A
941	proc chebGN {X Y S A xmin xmax "damp 0.75"} {
942	# Gauss-Newton
943	if {[llength $X] != [llength $Y]} return
944	set xnorm [expr {2. / ($xmax - $xmin)}]
945	# denominator
946	set sum2 0.
947	foreach x $X s $S {
948	set xs [expr {-1 + (1.$x - $xmin) $xnorm}]
949	set Tpp 0
950	set Tp 0
951	foreach a1 $A {
952	if {$Tpp == $Tp && $Tp == 0} {
953	set T 1
954	} elseif {$Tpp == 0} {
955	set T $xs
956	} else {
957	set T [expr {2. * $xs * $Tp - $Tpp}]
958	}
959	set sum2 [expr {$sum2 + $T /($s*$s)}]
960	set Tpp $Tp
961	set Tp $T
962	}
963	}
964	# Evaluate Ycalc & sum(delta2)
965	set sumd2 0.
966	foreach x $X y $Y {
967	# set xs [expr {-1 + (1.$x - $xmin) $xnorm}]
968	lappend Ycalc [set yc [chebeval $A $x $xmin $xmax]]
969	set sumd2 [expr {$sumd2 + ($y - $yc)*($y - $yc)}]
970	}
971	set k -1
972	foreach a $A {incr k; set sum($k) 0}
973	foreach x $X y $Y yc $Ycalc s $S {
974	set xs [expr {-1 + (1.$x - $xmin) $xnorm}]
975	set Tpp 0
976	set Tp 0
977	set k -1
978	foreach a $A {
979	incr k
980	if {$Tpp == $Tp && $Tp == 0} {
981	set T 1
982	} elseif {$Tpp == 0} {
983	set T $xs
984	} else {
985	set T [expr {2. * $xs * $Tp - $Tpp}]
986	}
987	set sum($k) [expr {$sum($k) + ($T * ($yc - $y))/($s*$s)}]
988	set Tpp $Tp
989	set Tp $T
990	}
991	}
992	set sumd2r $sumd2
993	set d $damp
994	# compute new cheb terms
995	while {$d > $damp/32} {
996	set k -1
997	set Anew {}
998	foreach a $A {
999	incr k
1000	lappend Anew [expr {$a - $d*($sum($k) / $sum2)}]
1001	}
1002	# Evaluate new Ycalc & sum(delta2)
1003	set sumd2r 0.
1004	foreach x $X y $Y {
1005	# set xs [expr {-1 + (1.$x - $xmin) $xnorm}]
1006	set yc [chebeval $Anew $x $xmin $xmax]
1007	set sumd2r [expr {$sumd2r + ($y - $yc)*($y - $yc)}]
1008	}
1009	# are these shifts an improvement?
1010	if {$sumd2r < $sumd2} {
1011	# are we converged?
1012	if {[expr {($sumd2-$sumd2r)/$sumd2}] < 0.0001} {return ""}
1013	return $Anew
1014	}
1015	set d [expr {$d/2.}]
1016	}
1017	return ""
1018	}
1019
1020	# change the binding of the mouse, based on the selected mode
1021	proc bkgEditMode {b} {
1022	global zoomcommand box
1023	# get binding
1024	set bindtag $box
1025	catch {
1026	if {[bind bltZoomGraph] != ""} {
1027	set bindtag bltZoomGraph
1028	}
1029	}
1030	# save the zoom command
1031	if [catch {set zoomcommand}] {
1032	set zoomcommand [bind $bindtag <1>]
1033	.bkg.f.fit1 config -state disabled
1034	.bkg.f.fit2 config -state disabled
1035	.bkg.f.terms config -state disabled
1036	}
1037	foreach c {1 2 3} {
1038	if {$c == $b} {
1039	.bkg.l.b$c config -relief sunken
1040	} else {
1041	.bkg.l.b$c config -relief raised
1042	}
1043	}
1044	# reset previous mode; if in the middle
1045	if {[string trim [bind $box <Motion>]] != ""} {
1046	blt::ResetZoom $box
1047	}
1048	if {$b == 2} {
1049	bind $bindtag <1> "bkgAddPoint %x %y"
1050	.g config -cursor arrow
1051	} elseif {$b == 3} {
1052	bind $bindtag <1> "bkgDelPoint %x %y"
1053	.g config -cursor circle
1054	} else {
1055	bind $bindtag <1> $zoomcommand
1056	.g config -cursor crosshair
1057	}
1058	}
1059
1060	# plot the background points
1061	proc bkgPointPlot {} {
1062	global bkglist termmenu chebterms expnam hst tmin tmax
1063	set l {}
1064	set fp [open $expnam.bkg$hst w]
1065	puts $fp "y p h e $hst b ! fixed background points for use in BKGEDIT"
1066	foreach p $bkglist {
1067	puts $fp "i\t$p\t0.0"
1068	append l " $p"
1069	}
1070	if {[llength $bkglist] > 0} {
1071	puts $fp "i\t[expr $tmin*0.99] [lindex [lindex $bkglist 0] 1]\t0.0"
1072	puts $fp "i\t[expr $tmax*1.01] [lindex [lindex $bkglist end] 1]\t0.0"
1073	}
1074	close $fp
1075	.g element config 12 -data $l
1076	if {[set l [llength $bkglist]] > 3} {
1077	.bkg.f.fit1 config -state normal
1078	.bkg.f.terms config -state normal
1079	$termmenu delete 0 end
1080	set imax {}
1081	for {set i 2} {$i <= $l/1.5} {incr i 2} {
1082	$termmenu insert end radiobutton -label $i \
1083	-variable chebterms -command {bkgMoreFit}
1084	set imax $i
1085	}
1086	if {$imax < $chebterms} {set chebterms $imax}
1087	} else {
1088	.bkg.f.fit1 config -state disabled
1089	.bkg.f.fit2 config -state disabled
1090	.bkg.f.terms config -state disabled
1091	set chebterms 2
1092	}
1093	}
1094
1095	# add a bkg point at screen coordinates x,y
1096	proc bkgAddPoint {x y} {
1097	global bkglist tmin tmax
1098	set xy [.g invtransform $x $y]
1099	set x [lindex $xy 0]
1100	if {$x < $tmin} {set x $tmin}
1101	if {$x > $tmax} {set x $tmax}
1102	lappend bkglist [list $x [lindex $xy 1]]
1103	set bkglist [lsort -real -index 0 $bkglist]
1104	bkgMoreFit
1105	bkgFillPoints
1106	bkgPointPlot
1107	}
1108
1109	# delete the bkg point closest to screen coordinates x,y
1110	proc bkgDelPoint {x y} {
1111	global bkglist
1112	set closest {}
1113	set dist2 {}
1114	set i -1
1115	foreach p $bkglist {
1116	incr i
1117	set sxy [eval .g transform $p]
1118	if {$closest == ""} {
1119	set closest $i
1120	set dist2 0
1121	foreach v1 $sxy v2 "$x $y" {
1122	set dist2 [expr {$dist2 + ($v1 - $v2)*($v1 - $v2)}]
1123	}
1124	} else {
1125	set d2 0
1126	foreach v1 $sxy v2 "$x $y" {
1127	set d2 [expr {$d2 + ($v1 - $v2)*($v1 - $v2)}]
1128	}
1129	if {$d2 < $dist2} {
1130	set closest $i
1131	set dist2 $d2
1132	}
1133	}
1134	}
1135	set bkglist [lreplace $bkglist $closest $closest]
1136	bkgMoreFit
1137	bkgPointPlot
1138	bkgFillPoints
1139	}
1140
1141	# initialize the background plot
1142	proc bkghstInit {} {
1143	global bkglist tmin tmax hst expnam cheblist chebterms
1144	set tmin [histinfo $hst tmin]
1145	set tmax [histinfo $hst tmax]
1146	if {[catch {expr $tmin}] \|\| [catch {expr $tmax}]} {
1147	tk_dialog .err "MIN/MAX Error" "Error -- Unable read tmin or tmax (has POWPREF been run?" \
1148	error 0 Quit
1149	destroy .
1150	}
1151
1152	set bkglist {}
1153	if [file exists $expnam.bkg$hst] {
1154	catch {
1155	set fp [open $expnam.bkg$hst r]
1156	gets $fp line
1157	while {[gets $fp line]>=0} {
1158	set x [lindex $line 1]
1159	set y [lindex $line 2]
1160	if {$x >= $tmin && $x <= $tmax} {
1161	lappend bkglist [list $x $y]
1162	}
1163	}
1164	}
1165	close $fp
1166	}
1167
1168	bkgEditMode 1
1169	bkgPointPlot
1170	bkgFillPoints
1171	set cheblist ""
1172	bkgResetFit
1173	BkgFillCheb
1174	set chebterms 2
1175	}
1176
1177	# fit a Chebyshev polynomial to the selected background points
1178	proc bkgFit {termlist button} {
1179	global bkglist chebterms cheblist
1180	$button config -relief sunken
1181	update
1182	foreach p $bkglist {
1183	lappend S 1.
1184	foreach v $p var {X Y} {
1185	lappend $var $v
1186	}
1187	}
1188	global tmin tmax
1189	if {[llength $termlist] < 2} {
1190	# get a starting point
1191	set termlist [chebgen $X $Y $tmin $tmax $chebterms]
1192	# plot it
1193	set calcb {}
1194	foreach x [xvec range 0 end] {
1195	lappend calcb [chebeval $termlist $x $tmin $tmax]
1196	}
1197	.g element configure 11 -xdata xvec -ydata $calcb
1198	update
1199	} elseif {[llength $termlist] < $chebterms} {
1200	while {[llength $termlist] < $chebterms} {
1201	lappend termlist 0.
1202	}
1203	} elseif {[llength $termlist] > $chebterms} {
1204	set termlist [lrange $termlist 0 [expr $chebterms -1]]
1205	}
1206	# iterate
1207	for {set i 1} {$i < 20} {incr i} {
1208	set termlist1 [chebGN $X $Y $S $termlist $tmin $tmax]
1209	# have we converged?
1210	if {$termlist1 == ""} {
1211	bkgResetFit
1212	set cheblist $termlist
1213	BkgFillCheb
1214	bkgFillPoints
1215	$button config -relief raised
1216	return
1217	}
1218	set termlist $termlist1
1219	set calcb {}
1220	foreach x [xvec range 0 end] {
1221	lappend calcb [chebeval $termlist $x $tmin $tmax]
1222	}
1223	.g element configure 11 -xdata xvec -ydata $calcb
1224	update
1225	}
1226	set cheblist $termlist
1227	BkgFillCheb
1228	bkgFillPoints
1229	bkgMoreFit
1230	$button config -relief raised
1231	}
1232
1233	# put the Chebyshev coefficients into edit widgets
1234	proc BkgFillCheb {} {
1235	global cheblist
1236	global chebedit
1237	catch {destroy .bkg.canvas.fr}
1238	set top [frame .bkg.canvas.fr]
1239	.bkg.canvas create window 0 0 -anchor nw -window $top
1240	# delete trace on chebedit
1241	foreach v [ trace vinfo chebedit] {
1242	eval trace vdelete chebedit $v
1243	}
1244	if {[llength $cheblist] == 0} {
1245	grid [label $top.0 -text "(no terms defined)"] -col 1 -row 1
1246	.bkg.cw config -state disabled
1247	} else {
1248	set i -1
1249	.bkg.cw config -state normal
1250	foreach c $cheblist {
1251	incr i
1252	grid [frame $top.$i -relief groove -bd 3] -col $i -row 1
1253	grid [label $top.$i.l -text "[expr 1+$i]"] -col 1 -row 1
1254	grid [entry $top.$i.e -textvariable chebedit($i) -width 13] \
1255	-col 2 -row 1
1256	set chebedit($i) $c
1257	}
1258	trace variable chebedit w "BkgRecalcCheb $top"
1259	}
1260	update idletasks
1261	set sizes [grid bbox $top]
1262	.bkg.canvas config -scrollregion $sizes -height [lindex $sizes 3]
1263	}
1264
1265	# respond to edits made to Chebyshev terms
1266	proc BkgRecalcCheb {top var i mode} {
1267	global chebedit cheblist
1268	if [catch {expr $chebedit($i)}] {
1269	$top.$i.e config -fg red
1270	} else {
1271	$top.$i.e config -fg black
1272	set cheblist [lreplace $cheblist $i $i $chebedit($i)]
1273	global tmin tmax
1274	# plot it
1275	set calcb {}
1276	foreach x [xvec range 0 end] {
1277	lappend calcb [chebeval $cheblist $x $tmin $tmax]
1278	}
1279	.g element configure 11 -xdata xvec -ydata $calcb
1280	update
1281	bkgMoreFit
1282	}
1283	}
1284
1285	# put the bkg points into edit widgets
1286	proc bkgFillPoints {} {
1287	global bkglist tmin tmax bkgedit
1288	# delete trace on bkgedit
1289	foreach v [ trace vinfo bkgedit] {
1290	eval trace vdelete bkgedit $v
1291	}
1292	catch {destroy .bkg.bc.fr}
1293	set top [frame .bkg.bc.fr]
1294	.bkg.bc create window 0 0 -anchor nw -window $top
1295	if {[llength $bkglist] == 0} {
1296	grid [label $top.0 -text "(no points defined)"] -col 1 -row 1
1297	} else {
1298	set i -1
1299	foreach p $bkglist {
1300	incr i
1301	grid [frame $top.$i -relief groove -bd 3] -col $i -row 1
1302	grid [label $top.$i.l -text "[expr 1+$i]"] -col 1 -rowspan 2 -row 1
1303	grid [entry $top.$i.ex -textvariable bkgedit(x$i) -width 13] \
1304	-col 2 -row 1
1305	grid [entry $top.$i.ey -textvariable bkgedit(y$i) -width 13] \
1306	-col 2 -row 2
1307	foreach val $p var {x y} {
1308	set bkgedit(${var}$i) $val
1309	}
1310	}
1311	trace variable bkgedit w "BkgRecalcBkg $top"
1312	}
1313	update idletasks
1314	set sizes [grid bbox $top]
1315	.bkg.bc config -scrollregion $sizes -height [lindex $sizes 3]
1316	}
1317
1318	# respond to edits made to bkg points
1319	proc BkgRecalcBkg {top var i mode} {
1320	global bkgedit bkglist tmin tmax
1321	regexp {(.)([0-9]*)} $i junk var num
1322	if [catch {expr $bkgedit($i)}] {
1323	$top.$num.e$var config -fg red
1324	} else {
1325	$top.$num.e$var config -fg black
1326	set p [lindex $bkglist $num]
1327	if {$var == "x"} {
1328	set x $bkgedit($i)
1329	if {$x < $tmin} {set x $tmin}
1330	if {$x > $tmax} {set x $tmax}
1331	set bkglist [lreplace $bkglist $num $num \
1332	[list $x [lindex $p 1]]]
1333	} else {
1334	set bkglist [lreplace $bkglist $num $num \
1335	[list [lindex $p 0] $bkgedit($i)]]
1336	}
1337	}
1338	bkgPointPlot
1339	}
1340
1341	# save the Chebyshev terms in the .EXP file
1342	proc bkgChebSave {} {
1343	global hst cheblist expgui Revision expmap expnam
1344	histinfo $hst backtype set 1
1345	histinfo $hst backterms set [llength $cheblist]
1346	set num 0
1347	foreach v $cheblist {
1348	set var "bterm[incr num]"
1349	histinfo $hst $var set $v
1350	}
1351	histinfo $hst bref set 0
1352	# add a history record
1353	exphistory add " BKGEDIT [lindex $Revision 1] [lindex $expmap(Revision) 1] -- [clock format [clock seconds]]"
1354	# now save the file
1355	expwrite $expnam.EXP
1356	}
1357
1358
1359	source [file join $expgui(scriptdir) gsascmds.tcl]
1360	source [file join $expgui(scriptdir) readexp.tcl]
1361	source [file join $expgui(scriptdir) opts.tcl]
1362
1363	# override options with locally defined values
1364	if [file exists [file join $expgui(scriptdir) localconfig]] {
1365	source [file join $expgui(scriptdir) localconfig]
1366	}
1367	if [file exists [file join ~ .gsas_config]] {
1368	source [file join ~ .gsas_config]
1369	}
1370	SetTkDefaultOptions $expgui(font)
1371
1372	if [file executable [file join $expgui(gsasexe) $expgui(tcldump)]] {
1373	set expgui(tcldump) [file join $expgui(gsasexe) $expgui(tcldump)]
1374	# puts "got tcldump"
1375	} else {
1376	set expgui(tcldump) {}
1377	# puts "no tcldump"
1378	}
1379
1380	# vectors
1381	foreach vec {xvec obsvec calcvec bckvec diffvec refposvec wifdvec} {
1382	vector $vec
1383	$vec notify never
1384	}
1385	# create the graph
1386	if [catch {
1387	set box [graph .g -plotbackground white]
1388	} errmsg] {
1389	tk_dialog .err "BLT Error" \
1390	"BLT Setup Error: could not create a graph (msg: $errmsg). \
1391	There is a problem with the setup of BLT on your system.
1392	See the expgui.html file for more info." \
1393	error 0 "Quit"
1394	exit
1395	}
1396	if [catch {
1397	Blt_ZoomStack $box
1398	} errmsg] {
1399	tk_dialog .err "BLT Error" \
1400	"BLT Setup Error: could not access a Blt_ routine (msg: $errmsg). \
1401	The pkgIndex.tcl is probably not loading bltGraph.tcl.
1402	See the expgui.html file for more info." \
1403	error 0 "Limp ahead"
1404	}
1405	# modify zoom so that y2axis is not zoomed in for blt2.4u+
1406	catch {
1407	regsub -all y2axis [info body blt::PushZoom] " " b1
1408	proc blt::PushZoom {graph} $b1
1409	}
1410
1411	$box element create 0 -xdata xvec -ydata wifdvec -color $graph(color_chi2) \
1412	-line 3 -symbol none -label "Chi2" -mapy y2
1413	$box element create 1 -label bckgr -symbol none
1414	$box element config 1 -xdata xvec -ydata bckvec -color $graph(color_bkg)
1415	$box element create 3 -color $graph(color_obs) -linewidth 0 -label Obs \
1416	-symbol $peakinfo(obssym) \
1417	-pixels [expr 0.125 * $peakinfo(obssize)]i
1418	$box element create 2 -label Calc -color $graph(color_calc) -symbol none
1419	$box element create 4 -label diff -color $graph(color_diff) -symbol none
1420
1421	if {$program == "liveplot"} {
1422	$box y2axis config -min 0 -title {Cumulative Chi Squared}
1423	} elseif {$program == "bkgedit"} {
1424	eval $box element config 0 $graph(ElementHideOption)
1425	eval $box y2axis config $graph(ElementHideOption)
1426	$box element config 0 -label ""
1427	eval $box element config 1 $graph(ElementHideOption)
1428	$box element config 1 -label ""
1429	eval $box element config 4 $graph(ElementHideOption)
1430	$box element config 4 -label ""
1431	$box element create 11
1432	$box element create 12
1433	$box element configure 12 -color $graph(color_input) \
1434	-pixels [expr 0.125 * $peakinfo(inpsize)]i \
1435	-line 0 -symbol $peakinfo(inpsym) -label "bkg pts"
1436	$box element configure 11 -color $graph(color_fit) \
1437	-symbol none -label "Cheb fit" -dashes 5 -line 2
1438	$box element show "3 2 11 12"
1439	}
1440	$box element config 3 -xdata xvec -ydata obsvec
1441	$box element config 2 -xdata xvec -ydata calcvec
1442	$box element config 4 -xdata xvec -ydata diffvec
1443
1444	if {$expgui(tcldump) != ""} {
1445	bind . <Key-h> "lblhkl $box %x"
1446	bind . <Key-H> "lblhkl $box %x"
1447	# bind $box <Shift-Double-Button-1> "lblallhkl %W"
1448	if {[bind bltZoomGraph] != ""} {
1449	bind bltZoomGraph <Shift-Button-1> "lblhkl $box %x"
1450	bind bltZoomGraph <Shift-Button-3> "delallhkllbl %W"
1451	} else {
1452	bind $box <Shift-Button-1> "lblhkl $box %x"
1453	bind $box <Shift-Button-3> "delallhkllbl %W"
1454	}
1455	} else {
1456	$box element config 1 -label ""
1457	eval $box element config 4 $graph(ElementHideOption)
1458	}
1459	$box yaxis config -title {}
1460	setlegend $box $graph(legend)
1461
1462	frame .a -bd 3 -relief groove
1463	pack [menubutton .a.file -text File -underline 0 -menu .a.file.menu] -side left
1464	menu .a.file.menu
1465	.a.file.menu add cascade -label Tickmarks -menu .a.file.menu.tick
1466	menu .a.file.menu.tick
1467	foreach num {1 2 3 4 5 6 7 8 9} {
1468	.a.file.menu.tick add checkbutton -label "Phase $num" \
1469	-variable peakinfo(flag$num) \
1470	-command plotdata
1471	}
1472	.a.file.menu add cascade -label Histogram -menu .a.file.menu.hist -state disabled
1473	.a.file.menu add command -label "Update Plot" \
1474	-command {set cycle [getcycle];readdata .g}
1475	.a.file.menu add command -label "Make PostScript" -command makepostscriptout
1476	.a.file.menu add command -label Quit -command "destroy ."
1477
1478	pack [menubutton .a.options -text Options -underline 0 -menu .a.options.menu] \
1479	-side left
1480	menu .a.options.menu
1481	.a.options.menu add cascade -label "Configure Tickmarks" -menu .a.options.menu.tick
1482	menu .a.options.menu.tick
1483	.a.options.menu.tick add radiobutton -label "Manual Placement" \
1484	-value 0 -variable expgui(autotick) -command plotdata
1485	.a.options.menu.tick add radiobutton -label "Auto locate" \
1486	-value 1 -variable expgui(autotick) -command plotdata
1487	.a.options.menu.tick add separator
1488	foreach num {1 2 3 4 5 6 7 8 9} {
1489	.a.options.menu.tick add command -label "Phase $num" \
1490	-command "minioptionsbox $num"
1491	}
1492	if {$program == "liveplot"} {
1493	.a.options.menu add command -label "Obs symbol" -command getsymopts
1494	} else {
1495	.a.options.menu add cascade -label "Symbol Type" -menu .a.options.menu.sym
1496	menu .a.options.menu.sym
1497	foreach var {obs inp} lbl {Observed "Input bkg"} {
1498	.a.options.menu.sym add command -label $lbl -command "getsymopts $var"
1499	}
1500	}
1501	.a.options.menu add cascade -label "Symbol color" -menu .a.options.menu.color
1502	menu .a.options.menu.color
1503	set l1 {obs calc diff bkg chi2}
1504	set l2 {Observed Calculated Obs-Calc Background Cumulative-Chi2}
1505	if {$program != "liveplot"} {
1506	lappend l1 input fit
1507	lappend l2 "Input points" "Cheb. fit"
1508	}
1509
1510	foreach var $l1 lbl $l2 {
1511	.a.options.menu.color add command -label $lbl \
1512	-command "set graph(color_$var) \[tk_chooseColor -initialcolor \$graph(color_$var) -title \"Choose \$lbl color\"]; plotdata"
1513	}
1514	if {$expgui(tcldump) != "" && $program == "liveplot"} {
1515	.a.options.menu add cascade -label "X units" -menu .a.options.menu.xunits
1516	menu .a.options.menu.xunits
1517	.a.options.menu.xunits add radiobutton -label "As collected" \
1518	-variable graph(xunits) -value 0 \
1519	-command {set cycle [getcycle];readdata .g}
1520	.a.options.menu.xunits add radiobutton -label "d-space" \
1521	-variable graph(xunits) -value 1 \
1522	-command {set cycle [getcycle];readdata .g}
1523	.a.options.menu.xunits add radiobutton -label "Q" \
1524	-variable graph(xunits) -value 2 \
1525	-command {set cycle [getcycle];readdata .g}
1526	.a.options.menu add cascade -label "Y units" -menu .a.options.menu.yunits
1527	menu .a.options.menu.yunits
1528	.a.options.menu.yunits add radiobutton -label "As collected" \
1529	-variable graph(yunits) -value 0 \
1530	-command {set cycle [getcycle];readdata .g}
1531	.a.options.menu.yunits add radiobutton -label "Normalized" \
1532	-variable graph(yunits) -value 1 \
1533	-command {set cycle [getcycle];readdata .g}
1534	.a.options.menu add command -label "HKL labeling" -command setlblopts
1535	.a.options.menu add checkbutton -label "Subtract background" \
1536	-variable graph(backsub) \
1537	-command {set cycle [getcycle];readdata .g}
1538	} else {
1539	set graph(xunits) 0
1540	}
1541
1542	.a.options.menu add checkbutton -label "Include legend" \
1543	-variable graph(legend) \
1544	-command {setlegend $box $graph(legend)}
1545	.a.options.menu add command -label "Set PS output" -command setpostscriptout
1546	.a.options.menu add cascade -menu .a.options.menu.font \
1547	-label "Screen font"
1548	menu .a.options.menu.font
1549	foreach f {10 11 12 13 14 16 18 20 22} {
1550	.a.options.menu.font add radiobutton \
1551	-command {SetTkDefaultOptions $expgui(font); ResizeFont .} \
1552	-label $f -value $f -variable expgui(font) -font "Helvetica -$f"
1553	}
1554	if {$program == "liveplot"} {
1555	.a.options.menu add checkbutton -label "Raise on update" \
1556	-variable graph(autoraise)
1557	.a.options.menu add checkbutton -label "Cumulative Chi2" \
1558	-variable graph(chi2) -command ShowCumulativeChi2
1559	.a.options.menu add command -label "Save Options" -underline 1 \
1560	-command "SaveOptions"
1561	ShowCumulativeChi2
1562	} elseif {$program == "bkgedit"} {
1563	catch {pack [frame .bkg -bd 3 -relief sunken] -side bottom -fill both}
1564	grid [label .bkg.top -text "Background Point Editing"] \
1565	-col 0 -row 0 -columnspan 4
1566	grid [button .bkg.help -text Help -bg yellow \
1567	-command "MakeWWWHelp liveplot.html bkgedit"] \
1568	-column 5 -row 0 -rowspan 2 -sticky n
1569
1570	grid [frame .bkg.l -bd 3 -relief groove] \
1571	-col 0 -row 1 -columnspan 2 -sticky nse
1572	grid [label .bkg.l.1 -text "Mouse click\naction"] -col 0 -row 0
1573	foreach c {1 2 3} l {zoom add delete} {
1574	grid [button .bkg.l.b$c -text $l -command "bkgEditMode $c"] \
1575	-col $c -row 0
1576	}
1577	grid [frame .bkg.f -bd 3 -relief groove] \
1578	-col 3 -row 1 -columnspan 2 -sticky nsw
1579	grid [button .bkg.f.fit1 -text "Start\nFit" -command {bkgFit "" .bkg.f.fit1}] \
1580	-col 1 -row 1
1581	grid [button .bkg.f.fit2 -text "Improve\nFit" \
1582	-command {bkgFit $cheblist .bkg.f.fit2}] -col 2 -row 1
1583	grid [label .bkg.f.tl -text "with"] -col 3 -row 1
1584	set termmenu [tk_optionMenu .bkg.f.terms chebterms 0]
1585	grid .bkg.f.terms -col 4 -row 1
1586	grid [label .bkg.f.tl1 -text "terms"] -col 5 -row 1
1587
1588	grid [frame .bkg.c1 -bd 3 -relief groove] \
1589	-col 0 -row 5 -rowspan 2 -sticky nsew
1590	grid [label .bkg.c1.1 -text "Chebyshev\nterms"] -col 0 -row 0
1591	grid [canvas .bkg.canvas \
1592	-scrollregion {0 0 5000 500} -width 0 -height 0 \
1593	-xscrollcommand ".bkg.scroll set"] \
1594	-column 1 -row 5 -columnspan 3 -sticky nsew
1595	grid [scrollbar .bkg.scroll -command ".bkg.canvas xview" \
1596	-orient horizontal] -column 1 -row 6 -columnspan 3 -sticky nsew
1597	grid [button .bkg.cw -text "Save in EXP\nfile & Exit" \
1598	-command "bkgChebSave;exit"] \
1599	-col 4 -columnspan 2 -row 5 -rowspan 2 -sticky ns
1600
1601	grid [frame .bkg.bl -bd 3 -relief groove] \
1602	-col 0 -row 3 -rowspan 2 -sticky nsew
1603	grid [label .bkg.bl.1 -text "Background\npoints"] -col 0 -row 0
1604	grid [canvas .bkg.bc \
1605	-scrollregion {0 0 5000 500} -width 0 -height 0 \
1606	-xscrollcommand ".bkg.bs set"] \
1607	-column 1 -row 3 -columnspan 5 -sticky nsew
1608	grid [scrollbar .bkg.bs -command ".bkg.bc xview" -orient horizontal] \
1609	-column 1 -row 4 -columnspan 5 -sticky nsew
1610
1611	grid columnconfigure .bkg 1 -weight 1
1612	grid columnconfigure .bkg 2 -weight 1
1613	grid columnconfigure .bkg 3 -weight 1
1614	grid rowconfigure .bkg 3 -weight 1
1615	grid rowconfigure .bkg 5 -weight 1
1616	.g config -title ""
1617	}
1618
1619	pack [menubutton .a.help -text Help -underline 0 -menu .a.help.menu] -side right
1620	menu .a.help.menu -tearoff 0
1621	.a.help.menu add command -command "MakeWWWHelp liveplot.html" -label "Web page"
1622	.a.help.menu add command -command aboutliveplot -label About
1623
1624	pack .a -side top -fill both
1625	pack $box -fill both -expand yes
1626
1627	# add the extra options
1628	set fl [file join $expgui(scriptdir) icddcmd.tcl]
1629	if [file exists $fl] {source $fl}
1630	set fl [file join $expgui(scriptdir) cellgen.tcl]
1631	if [file exists $fl] {source $fl}
1632
1633	expload $expnam.EXP
1634	mapexp
1635
1636	# fill the histogram menu
1637	if {[llength $expmap(powderlist)] > 1} {
1638	.a.file.menu entryconfigure Histogram -state normal
1639	menu .a.file.menu.hist
1640	if {[llength $expmap(powderlist)] > 15} {
1641	set i 0
1642	foreach num [lsort -integer $expmap(powderlist)] {
1643	incr i
1644	# for now include, but disable histograms
1645	set state disabled
1646	if {[string range $expmap(htype_$num) 3 3] != "*"} {
1647	set state normal
1648	}
1649	if {$i == 1} {
1650	set num1 $num
1651	menu .a.file.menu.hist.$num1
1652	}
1653	.a.file.menu.hist.$num1 add radiobutton -label $num -value $num \
1654	-variable hst -state $state \
1655	-command {set cycle [getcycle];readdata .g}
1656	if {$i >= 10} {
1657	set i 0
1658	.a.file.menu.hist add cascade -label "$num1-$num" \
1659	-menu .a.file.menu.hist.$num1
1660	}
1661	}
1662	if {$i != 0} {
1663	.a.file.menu.hist add cascade -label "$num1-$num" \
1664	-menu .a.file.menu.hist.$num1
1665	}
1666	} else {
1667	foreach num [lsort -integer $expmap(powderlist)] {
1668	# for now include, but disable unprocessed histograms
1669	set state disabled
1670	if {[string range $expmap(htype_$num) 3 3] != "*"} {
1671	set state normal
1672	}
1673	.a.file.menu.hist add radiobutton -label $num -value $num \
1674	-variable hst -state $state \
1675	-command {set cycle [getcycle];readdata .g}
1676	}
1677	}
1678	}
1679
1680	updateifnew
1681	donewaitmsg
1682	trace variable peakinfo w plotdataupdate

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