source: trunk/doc/expgui_cfg.html @ 307

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# on 2000/10/04 20:39:22, toby did:
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1<HTML>
2   <META NAME="Author" CONTENT="Brian H. Toby">
3   <TITLE>Customizing EXPGUI and Associated Programs</TITLE>
4<HEAD>
5</HEAD>
6<BODY BGCOLOR="#FFFFFF">
7
8<A HREF=http://www.ncnr.nist.gov>
9<IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" 
10alt="Link to NIST Center for Neutron Research home page"
11ALIGN=RIGHT></A>
12<A HREF=http://www.nist.gov>
13<IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" 
14alt="Link to National Institute of Standards & Technology home page"
15ALIGN=LEFT></A>
16<CENTER>
17<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">
18<IMG SRC="tcltklogo100.gif" 
19alt="Link to Tcl/Tk information">
20</CENTER></A>
21<hr>
22
23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
24<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
25</TH></TR></TABLE><BR CLEAR=ALL>
26
27<CENTER>
28<H1>
29Customizing EXPGUI and Associated Programs</H1></CENTER>
30
31The EXPGUI GSAS graphical user interface can be modified in many
32ways quite easily.
33This document describes how the GUI works and how to modify the menus without
34significant reprogramming. A little bit of programming in Tcl/Tk can go a
35long way in adding new features. See the
36<a HREF="#Customizing">Customizing</A> examples, below.
37
38<H3>EXPGUI</H3>
39The main GUI is created by file expgui, which in turn uses the following files
40sequentially:
41<UL>
42<LI><TT>readexp.tcl</TT>
43<LI><TT>gsascmds.tcl</TT>
44<LI><TT>gsasmenu.tcl</TT>
45</UL>
46Two additional files are read if they are found:
47<UL>
48<LI><TT>localconfig</TT>
49<LI><TT>.gsas_config</TT>
50</UL>
51<P>The first three files,
52(<TT>readexp.tcl</TT>, <TT>gsascmds.tcl</TT>, <TT>gsasmenu.tcl</TT>)
53must be located in the same directory where the <TT>expgui</TT> file is found.
54The <TT>localconfig</TT> file also is read from this directory, if it exists.
55The final file, <TT>.gsas_config</TT>, is read from the user's login directory (UNIX) or <TT>C:\</TT> (Windows).
56The <TT>localconfig</TT> and <TT>.gsas_config</TT> are intended to
57contain system-wide and user-level default values for parameters
58that are described in this document. Most routines have
59a "Save Options" command that writes some of the current parameters to
60file  <TT>.gsas_config</TT>. Note that information in <TT>.gsas_config</TT>
61overrides that in <TT>localconfig</TT>.
62No error occurs if either of these files are not found.
63
64<P>
65The <TT>readexp.tcl</TT> and <TT>gsascmds.tcl</TT> files contain
66tcl procedures that are
67used for more than one application, so it is convenient to place them
68in separate files. They are only of interest to someone trying to debug
69or add new functionality to expgui.
70<P>
71The <TT>gsasmenu.tcl</TT> file defines the contents of the
72menu bar, the contents of the
73button bar and definitions for each command. The contents of this file
74are designed to be modified and extended by users, either by editing the file,
75or by overriding definitions in the <TT>localconfig</TT> or
76<TT>.gsas_config</TT> files.
77
78The important variables defined in the <TT>gsasmenu.tcl</TT> file are:
79<DL><DL>
80<DT><TT>expgui(menunames)</TT><DD>
81This list defines the menu bar headings other than File, Options & Help
82<DT><TT>expgui_menulist</TT><DD>
83Each array element, e.g. expgui_menulist(file) and expgui_menulist(powder),
84defines commands to be added to a menu heading. Each command will appear
85as an array element in expgui_cmdlist.
86<DT><TT>expgui_cmdlist</TT><DD>
87Each array element, e.g. expgui_cmdlist(Save) or expgui_cmdlist(expnam)
88contains two items. The first defines a tcl procedure to be executed
89when the command is invoked, or "-" if no command will be invoked and
90the second contains help information describing what the command does.
91Note that when menu item is selected the variable cmd is set to the
92name of the command, so
93<PRE>
94    expgui_cmdlist(powpref) {{runGSASwEXP $cmd} {Powder data preparation}}
95</PRE>
96means that "runGSASwEXP powpref" will be invoked when powpref is invoked.
97. For example, when powpref is selected, the tcl command
98"runGSASwEXP $cmd" is invoked, where variable cmd is set to "powpref".
99<DT><TT>expgui(buttonlist)</TT><DD>
100This list defines the commands that will appear on the button bar where
101each item that appears on the button bar must have a matching pair of entries
102in expgui_cmdlist.
103Thus if the command
104<PRE>
105   set expgui(buttonlist) {expnam expedt genles ortep fourier forsrh forplot lstview}
106</PRE>
107is placed in the <TT>localconfig</TT> or <TT>.gsas_config</TT> files this will
108redefine the contents of the button bar.
109</DL></DL>
110
111In addition to the variables defined in the previous file, expgui, uses
112a small number of array elements for other configuration options. They are:
113<DL><DL>
114
115<DT><TT>expgui(scriptdir)</TT><DD>
116This determines where files such as <TT>readexp.tcl</TT>, etc.
117are located. This defaults to the location where <TT>expgui</TT> is located so
118it rarely needs to be changed.
119
120<DT><TT>expgui(gsasdir)</TT><DD>
121This contains the location of the GSAS directory, if it is not the
122parent director where expgui is found.
123This determines where a number of GSAS data files will be located. If expedt
124crashes when you try to add new atoms, this is probably wrong.
125
126<DT><TT>expgui(gsasexe)</TT><DD>
127This determines where the GSAS executable files are located.
128You might want to change this is you keep multiple versions of GSAS
129around or if you keep the GSAS files in a different location than
130the default or want to keep the tcl files somewhere other than
131in a subdirectory of the GSAS files.
132
133<DT><TT>expgui(coordfont)</TT><DD>
134Sets the font used for the coordinates scroll box
135
136<DT><TT>expgui(histfont)</TT><DD>
137Sets the font used for the histogram scroll box
138
139<DT><TT>expgui(bkgcolor1)</TT><DD>
140Sets the background color for the bottom box on the phase pane.
141The default value, #fdf, is a light violet that
142will probably drive some folks nuts, but is a good contrast to the yellow
143of the refinement flags.
144
145<DT><TT>liveplot(hst)</TT><DD>
146Sets the default histogram used for liveplot
147
148<DT><TT>liveplot(legend)</TT><DD>
149Sets the default value for display of the legend in liveplot
150
151<DT><TT>expgui(initstring)</TT><DD>
152Defines commands to be executed by EXPGUI after all other commands
153have been run. This is used to define initialization commands in
154the <TT>localconfig</TT> or <TT>.gsas_config</TT> files that cannot be
155run at the time when the files are sourced. <I>(added in EXPGUI v1.21)</I>
156</DL></DL>
157
158The following variables are written to <tt>.gsas_config</tt> when
159"Save Options" is used. These variables are all set from the GUI and therefore
160do not need to be edited manually.
161
162<DL><DL>
163<DT><TT>expgui(archive)</TT><DD>
164This defines the default state for the archive flag,
165where 0 is off and 1 is on. When archive is on, a copy of the .EXP file
166is saved before a new version of the file is saved and before EXPEDT is run.
167
168<DT><TT>expgui(asorttype)</TT><DD>
169This determines the atom sort mode.
170
171<DT><TT>expgui(hsorttype)</TT><DD>
172This determines the histogram sort mode.
173
174<DT><TT>expgui(filesort)</TT><DD>
175This determines the default file sorting mode for the expnam command.
176
177<DT><TT>env(GSASBACKSPACE)</TT><DD>
178Used only for UNIX: This determines if the default definition
179for the backspace key is overridden; some UNIX systems need this so that
180expedt and other terminal-oriented programs work correctly and
181other systems do not. You can toggle this option using the
182"Override Backspace" option on the file menu to see what works for you.
183
184</DL></DL>
185
186
187<HR><H3><A NAME="import">Coordinate import routines for EXPGUI</A>
188<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
189</H3>
190Currently two formats are supported, the Crystallographic Information File (CIF)
191and .CEL files from PowderCell.
192It is possible to define new formats for EXPGUI to use for importing
193phase/coordinate information. This is done by creating a file named
194<TT>import_</TT><I>xxxx</I><TT>.tcl</TT> (where <I>xxxx</I> is arbitrary)
195in the EXPGUI directory. See the file <TT>import_cell.tcl</TT> as an example.
196
197The file must contain four items:
198<UL>
199<LI>
200A description for the type of file to be read.
201<DL><DL><PRE>
202set description "PowderCell .CEL file"
203</PRE></DL>
204The text should not be too long, but use a return (\n) if needed:
205<DL><PRE>
206set description "My favorite coordinate\nfile from the GIGO pkg"
207</PRE></DL></DL>
208This description text shows up on the button for selecting a format.
209<P>
210<LI>
211A list of preferred file extensions.
212<DL><DL><PRE>
213set extensions .cel
214</PRE></DL>
215or
216<DL><PRE>
217set extensions {.jnk .junk}
218</PRE></DL></DL>
219In UNIX upper and lower case
220versions will be generated automatically, so do not worry about
221the case of the extension. Note that "*" (all files) is always added as well.
222<P>
223<LI>
224The name of the routine that will read the data file
225<DL><DL><PRE>
226set procname ReadPowderCellFile
227</PRE></DL></DL>
228<LI>
229A routine that takes the file name as an argument
230<DL><DL><PRE>
231proc ReadPowderCellFile {filename} {
232</PRE></DL></DL>
233and returns a list containing the following four items
234<OL>
235<P><LI>Space Group
236<DL><DL>
237The space group should be named and spaced appropriately for GSAS,
238e.g. P 21/c or P 21 21 21, not P21/c or P212121.
239</DL></DL>
240Note that GSAS requires that if a center of symmetry is present,
241this center defines the origin (Origin 2 settings, where more than one setting
242is given in the International Tables).
243<P><LI>Cell parameters
244<DL><DL>
245All six parameters should be specified in a list
246</DL></DL>
247<P><LI>Atom Coordinates
248<DL><DL>
249The atom coordinates should be specified as a list with a list element
250for each atom.
251The list contains the following items:
252<OL>
253<LI>Atom label
254<LI><I>x</I>
255<LI><I>y</I>
256<LI><I>z</I>
257<LI>Atom type
258<LI>Occupancy
259<LI>U<sub>iso</sub>
260</OL>
261If an item is not specified, it is left blank in the atom table, except for
262Occupancy and U<sub>iso</sub>, which default to 1.0 and 0.025, respectively.
263However, one must specify a null value, if an item will be skipped over.
264For example, use:
265<PRE>
266    "Li1 0 0 0 li 0.5"
267</PRE>
268or
269<PRE>
270    "{} 0 0 0 li 0.5"
271</PRE>
272but not
273<PRE>
274    "0 0 0 li 0.5"
275</PRE>
276
277</DL></DL>
278<P><LI>Warning Message (optional)
279<DL><DL>
280The warning message is displayed at the bottom of the
281Replace Atoms and Add Atoms box after the file is read. This can be used
282to warn the user about problems reading the file, for example if
283the space group symbol needs attention.
284</DL></DL>
285</OL>
286
287</UL>
288<HR><H3>LSTVIEW</H3>
289The <TT>localconfig</TT> and <TT>.gsas_config</TT> files are read, if present.
290The following options are available for customization in these files:
291<DL><DL>
292<DT><TT>txtvw(menulength)</TT><DD>
293This limits the number of entries that can
294exist in a menu. For example, the default is 25, so when more than 25 cycles
295are found in a .LST file, only the last 25 are listed in the
296"Go To"/cycle submenu.
297<DT><TT>txtvw(maxchars)</TT><DD>
298This limits the maximum number of
299characters that will be read from an existing .LST file to speed
300the start of the program. The default is ~1Mb
301for UNIX systems and ~200K for Windows.
302</DL></DL>
303
304The following variables are written to <tt>.gsas_config</tt> when
305"Save Options" is used. These variables can be set from the GUI and therefore
306do not need to be edited manually.
307
308<DL><DL>
309<DT><TT>txtvw(followcycle)</TT><DD>
310This sets the initial value for the
311"Auto Advance" button in the "Go To" menu. When this is true,
312the program will show the last cycle in the file. As new cycles are
313added, the "view" is advanced.
314
315<DT><TT>txtvw(font)</TT><DD>
316This sets the font used for LSTVIEW. See documentation on the font command in
317Tk for details on font naming.
318</DL></DL>
319
320One additional variable is present that I don't suggest using at present:
321<UL>
322<LI>plotvars: I am in the process of developing code that tracks
323and plots shifts and R values as a function cycle number. Setting plotvars to 1
324allows this code to be tested.
325</LI></UL>
326
327<hr><H3>LIVEPLOT</H3><A NAME="liveplot"></A>
328The <TT>localconfig</TT> and <TT>.gsas_config</TT> files are read, if present.
329Note that some of these options are relevant only if the tcldump program is
330present.
331<P>
332The following options are available for customization in these files:
333<DL><DL>
334<DT><TT>peakinfo(flag<i>n</i>)</TT><DD>
335These variables define if peak positions will be shown
336for reflections in phase "<i>n</i>". Reflections will be shown if
337the value is non-zero.
338
339<DT><TT>peakinfo(color<i>n</i>)</TT><DD>
340These variables define the default colors for
341reflections in phase "<i>n</i>"
342
343<DT><TT>peakinfo(dashes<i>n</i>)</TT><DD>
344These variables define if peaks will be dashed for
345reflections in phase "<i>n</i>" (UNIX only). Lines will be dashed if
346the value is non-zero.
347
348<DT><TT>peakinfo(min<i>n</i>) and peakinfo(max<i>n</i>)</TT><DD>
349These variables dictate the placement vertical position for reflection
350markers, when manually placed (see expgui(autotick), below). To draw
351to the edge of the screen, use -Inf and Inf.
352</DL></DL>
353
354The following variables are written to <tt>.gsas_config</tt> when
355"Save Options" is used. These variables are all set from the GUI and therefore
356do not need to be edited manually.
357
358<DL><DL>
359<DT><TT>graph(printout)</TT><DD>
360This is set to 1 if PostScript files
361will be printed and 0 if they will be written to disk (for Windows all
362files should be written to disk).
363
364<DT><TT>graph(outname)</TT><DD>
365This is the default for the file name used
366when PostScript files will be written to disk.
367
368<DT><TT>graph(outcmd)</TT><DD>
369This is the default for the command used
370to print PostScript files (Unix only).
371
372<DT><TT>graph(legend)</TT><DD>
373Sets the default value for display of the legend in liveplot and widplt.
374
375<DT><TT>peakinfo(obssym)</TT><DD>
376Symbol for observed data points. Valid choices are square, circle, diamond,
377plus, cross, splus and scross.
378
379<DT><TT>peakinfo(obssize)</TT><DD>
380Size for the symbol for observed data points. A value of 1 corresponds to about 1/8 inch
381(about 3 mm).
382
383<DT><TT>expgui(pixelregion)</TT><DD>
384When hkl values are loaded (using tcldump) and reflections are labeled, reflections
385can be labeled using a Shift-Left-Mouse click. All labeled reflections within expgui(pixelregion)
386pixels of the mouse position are assumed to be overlapped and are labeled.
387
388<DT><TT>expgui(fadetime)</TT><DD>
389The time in seconds before reflection labels are removed. A value of zero means that reflections
390must be deleted manually (Shift-Right-Mouse).
391
392<DT><TT>expgui(lblfontsize)</TT><DD>
393A size for reflections labels in pixels.
394
395<DT><TT>expgui(hklbox)</TT><DD>
396If this variable is non-zero, reflection indices are shown in a box.
397
398<DT><TT>expgui(autotick)</TT><DD>
399If this variable is non-zero, reflection markers positions are
400set automatically.
401</DL></DL>
402
403<P>
404<B>Using TCLDUMP with LIVEPLOT.</B>
405LIVEPLOT works with the standard GSAS program HSTDMP, but it works faster and is more
406powerful when used with the TCLDUMP program. Instructions for downloading this file can
407be found in the installation notes for
408<A HREF="expgui_Win_readme.html">
409Windows</A> and
410<A HREF="expgui_Unix_readme.html">
411UNIX</A>. Note that as of the April 2000 releases, GSAS is now distributed
412with TCLDUMP.
413<P>
414<B>Combining CMPR and LIVEPLOT.</B>
415If you have <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/cmpr.html">CMPR</A>
416installed on your computer, you can use superimpose on the GSAS results
417the peaks for an arbitrary unit cell. If desired, space group extinctions
418can even be shown.
419This is pretty neat! To enable this feature, you must have a version
420of CMPR downloaded after 4 May 1998
421<A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/cmpr.html">
422(see the CMPR installation instructions.)</A>
423For UNIX, create a link from in the expgui
424directory to file cellgen.tcl in the CMPR directory. For example:
425<PRE>
426         ln -s /usr/local/cmpr/cellgen.tcl /usr/local/gsas/expgui/cellgen.tcl
427</PRE>
428For Windows, copy all the CMPR .tcl and .exe files into the expgui directory.
429<P>
430<B>Combining LOGIC and LIVEPLOT</B>
431If you have <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/logic.html">LOGIC</A>
432installed on your computer, you can superimpose peaks
433for a entry from the ICDD/JCPDS database on a pattern in LIVEPLOT.
434This is also pretty neat!
435To enable this feature, you must have
436a version of LOGIC downloaded after 4 May 1998
437<A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/logic.html">
438(see the LOGIC installation instructions.)</A>
439For UNIX, create a link from in the GSAS GUI
440directory to file icddcmd.tcl in the LOGIC directory. For example:
441<PRE>
442         ln -s /usr/local/powdersuite/icddcmd.tcl /usr/local/gsas/tcl/icddcmd.tcl
443</PRE>
444For Windows, copy all the LOGIC files into the expgui directory.
445<HR>
446<H3>WIDPLT</H3>
447The widplt script is used to display the FWHM for one or more histograms
448from a .EXP file.
449At this point it only works for CW data.
450It is often convenient to add for reference the expected
451instrumental curves as options to the menu. This can be done by creating a
452file called widplot_<i>name</i>. For example, renaming the
453<tt>example_widplt_BT1</tt> file supplied with the distribution to
454<tt>widplt_BT1</tt> will cause the FWHM curves for the NIST BT-1 instrument
455to be added to the menu of defined FWHM values.
456<P>
457Creating such a file is easy. To add a entry define the following
458five array elements using a single, unique element name and then append that
459element name to variable datalist.
460Define
461<PRE>
462    set UVWP(Ge15) {398.5 -343.2  163.0 0}
463    set XY(Ge15) {0 0}
464    set wave(Ge15) 2.0775
465    set lblarr(Ge15) "BT-1 Ge(311) 15'"
466    set ttrange(Ge15) "5 160"
467    lappend datalist Ge15
468</PRE>
469Array element UVWP(item) contains the (Gaussian) GU, GV, GW and GP values,
470while XY(item) contains the (Lorentzian) LX and LY terms. Array element
471wave(item) contains a wavelength, array element lblarr(item) contains
472the text to be shown on the "Plot Contents" menu and ttrange(item)
473defines the range the function is valid.
474<P>
475The following variables are written to <tt>.gsas_config</tt> when
476"Save Options" is used. These variables are all set from the GUI and therefore
477do not need to be edited manually.
478
479<DL><DL>
480<DT><TT>graph(printout)</TT><DD>
481This is set to 1 if PostScript files
482will be printed and 0 if they will be written to disk (for Windows all
483files should be written to disk).
484
485<DT><TT>graph(outname)</TT><DD>
486This is the default for the file name used
487when PostScript files will be written to disk.
488
489<DT><TT>graph(outcmd)</TT><DD>
490This is the default for the command used
491to print PostScript files (Unix only).
492
493<DT><TT>graph(legend)</TT><DD>
494Sets the default value for display of the legend in liveplot and widplt.
495
496<DT><TT>graph(plotunits)</TT><DD>
497Sets the units used for displaying the data. Values are "d", "q", "",
498for d-space, Q and 2-theta, respectively.
499<DT><TT>graph(equivwave)</TT><DD>
500Sets the wavelength used for displaying data, if blank, no conversion is
501done and data are shown in their original wavelength.
502</DL></DL>
503
504<hr>
505<a name="Customizing"><H2>
506Customizing Example 1: Adding a new button to the button bar
507</H2></A>
508When a LeBail extraction is used to refine lattice constants, profile
509terms, ... It is always a good idea to run GENLES a few times after running
510POWPREF. This is because GENLES sets the extracted intensities back to their
511crystallographic values, during the first GENLES cycle after POWPREF has been
512run. Refining anything until the extracted intensities return to reasonable
513values is a really bad idea. Forturnately, running GENLES with the number of
514cycles set to zero gives the Le Bail extraction a head start.
515<P>
516The code below can be used to define a new command, <tt>leBail</tt>. The first
517command adds a command to the button bar and the second one defines what will
518be done when it is invoked (the number of cycles is set to zero and
519GENLES is run three times). It also defines the help entry. Note that commands must start with a lower case letter even though Armel LeBail's last name
520does not.
521
522<PRE>
523    lappend expgui(buttonlist) leBail
524    set expgui_cmdlist(leBail) {
525        {set entryvar(cycles) 0; runGSASwEXP "genles genles genles"}
526        {Converges GENLES with LeBail extractions;
527          Sets the number of cycles to zero and runs GENLES 3 times.}
528    }
529
530</PRE>
531To make this customization, put the above in the <TT>localconfig</TT> 
532file or the
533<TT>~/.gsas_config</TT> or (or <TT>C:\GSAS\EXPGUI\.gsas_config</TT>)
534file.
535<hr>
536<H2>
537Customizing Example 2: Putting DISAGL Results in a Separate Box
538</H2>
539Barbara Reisner has been asking me to put the output from DISAGL in a separate
540window. Sounds like a pretty reasonable request. Here is an example with code
541to do that as a customization option. Please note that this has now been
542incorporated into EXPGUI, so do not use this example.
543<PRE>
544  set expgui(disaglSeparateBox) 1
545  set expgui_cmdlist(disagl) {rundisagl {Hacked Distance/angle calculations}}
546  proc rundisagl {} {
547    global expgui txtvw tcl_version tcl_platform
548    if {$expgui(disaglSeparateBox) && $tcl_platform(platform) != "windows"} {
549        set root [file root $expgui(expfile)]
550        catch {file rename $root.LST $root.OLS}
551        runGSASwEXP disagl
552        catch {file rename $root.LST $root.DIS}
553        catch {file rename $root.OLS $root.LST}
554
555        # open a new window
556        catch {toplevel .disagl}
557        catch {eval grid forget [grid slaves .disagl]}
558        text .disagl.txt -width 100 -wrap none \
559                -yscrollcommand ".disagl.yscroll set" \
560                -xscrollcommand ".disagl.xscroll set"
561        if {$tcl_version >= 8.0} {.disagl.txt config -font $txtvw(font)}
562        scrollbar .disagl.yscroll -command ".disagl.txt yview"
563        scrollbar .disagl.xscroll -command ".disagl.txt xview" -orient horizontal
564        grid .disagl.xscroll -column 0 -row 2 -sticky ew
565        grid .disagl.txt -column 0 -row 1 -sticky nsew
566        grid .disagl.yscroll -column 1 -row 1 -sticky ns
567        grid columnconfigure .disagl 0 -weight 1
568        grid rowconfigure .disagl 1 -weight 1
569        wm title .disagl "DISAGL results $expgui(expfile)"
570        wm iconname .disagl "DISAGL $root"
571        set in [open $root.DIS r]
572        .disagl.txt insert end [read $in]
573        close $in
574        bind all <Control-KeyPress-c> {destroy .disagl}
575        bind .disagl <KeyPress-Prior> ".disagl.txt yview scroll -1 page"
576        bind .disagl <KeyPress-Next> ".disagl.txt yview scroll 1 page"
577        bind .disagl <KeyPress-Right> ".disagl.txt xview scroll 1 unit"
578        bind .disagl <KeyPress-Left> ".disagl.txt xview scroll -1 unit"
579        bind .disagl <KeyPress-Up> ".disagl.txt yview scroll -1 unit"
580        bind .disagl <KeyPress-Down> ".disagl.txt yview scroll 1 unit"
581        bind .disagl <KeyPress-Home> ".disagl.txt yview 0"
582        bind .disagl <KeyPress-End> ".disagl.txt yview end"
583        # don't disable in Win as this prevents the highlighting of selected text
584        if {$tcl_platform(platform) != "windows"} {
585            .disagl.txt config -state disabled
586        }
587    } else {
588        runGSASwEXP disagl
589    }
590  }
591
592if {$tcl_platform(platform) != "windows"} {
593  append expgui(initstring) {
594      $expgui(fm).option.menu add checkbutton  -label "DISAGL window" \
595              -variable expgui(disaglSeparateBox) -underline 0;
596  }
597}
598
599</PRE>
600To make this customization, put the above in the <TT>localconfig</TT> 
601file or the
602<TT>~/.gsas_config</TT> or (or <TT>C:\GSAS\EXPGUI\.gsas_config</TT>)
603file.
604<P>
605Note that the <tt>expgui(initstring)</tt> option became available in EXPGUI
606version 1.21. (Previous versions will ignore this). This code must be executed
607after all the menus and other GUI code has been run. When executed, it
608creates a checkbutton on the Options menu to
609turn the "separate DISAGL window mode" mode on and off.
610
611<hr><H2>
612Customizing Example 3: Adding a new page to EXPGUI
613</H2>
614The steps for creating support for additional functionality, implementation
615of atom constraints, is outlined here. Routines described here can be found in
616file <tt>atomcons.tcl</tt> unless otherwise noted.
617<OL>
618<LI>Create a routine to read and write the appropriate records
619from the .EXP file. In this case, a new routine, constrinfo,
620was added to file <tt>readexp.tcl</tt>.
621This takes considerable care and manual testing.
622<LI>Create a routine that places the appropriate widgets into a frame
623(in this case MakeAtomsConstraintsPane). This routine will be called only once.
624Note that in this example expcons(atommaster) is defined to be the name of the
625frame.
626<LI>Create a routine to display and edit the information shown in the
627frame. In this case, DisplayAtomConstraints. This routine will be called each
628time the page is displayed. Note that this routine and the previous can be
629tested in a separate toplevel until they work well.
630<LI>In this particular example, the previous frame is located on a notebook
631widget that in turn placed on a notebook page, so MakeConstraintsPane is used
632to create this inner notebook when the "Constraints" notebook page is first
633shown. This in turn calls MakeAtomsConstraintsPane and DisplayAtomConstraints.
634To update this page each time it is displayed, DisplayConstraintsPane is
635called.
636<LI>Edit file <tt>expgui</tt> to make the following changes:
637<UL>
638<P><LI>load the <tt>atomcons.tcl</tt> file:
639<PRE>
640# commands for constraints
641source [file join $expgui(scriptdir) atomcons.tcl]
642</PRE>
643<P><LI>Define a notebook page for the option. The -createcmd option
644is used only once, but the -raisecmd option is used every time
645the page is exposed.
646<PRE>
647set expgui(consFrame) [\
648            .n insert end consPane -text Constraints \
649            -raisecmd "set expgui(pagenow) consFrame; DisplayConstraintsPane"\
650            -createcmd MakeConstraintsPane]
651lappend expgui(frameactionlist) "consFrame DisplayConstraintsPane"
652</PRE>
653Note that if we were displaying the atoms constraint page directly on
654the main notebook widget, the previous command would have been
655<tt>-raisecmd DisplayAtomConstraints -createcmd MakeAtomsConstraintsPane</tt>
656<P>
657Since the frame will need to be updated when information in the .EXP file
658changes, the name of the frame and a command to execute are added into list
659expgui(frameactionlist) using the <TT>lappend expgui(frameactionlist)</TT>
660command.
661</PRE>
662</UL>
663</OL>
664<hr>
665<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
666<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
667</TH></TR></TABLE><BR CLEAR=ALL>
668
669<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html">
670GSAS</A>
671is written by Allen C. Larson and <A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://lansce.lanl.gov/lujan/staff12/vondreele.htm">
672Robert B. Von Dreele</A>, MS-H805,
673Los Alamos National Laboratory, Los Alamos, NM 87545. Problems, questions
674or kudos concerning GSAS should be sent to Robert B. Von Dreele at <A HREF="MAILTO:vondreele@lanl.gov">vondreele@lanl.gov</A>
675
676<P>This GUI is written by Brian H. Toby of the NIST Center for Neutron Research,
677<A HREF="MAILTO:Brian.Toby@NIST.GOV">Brian.Toby@NIST.GOV</A>.
678
679<P>GSAS is Copyright, 1984-1997, The Regents of the University of California.
680The GSAS software was produced under a U.S. Government contract (W-7405-ENG-36)
681by the Los Alamos National Laboratory, which is operated by the University
682of California for the U.S. Department of Energy. The U.S. Government is
683licensed to use, reproduce, and distribute this software. Permission is
684granted to the public to copy and use this software without charge, provided
685that this notice and any statement of authorship are reproduced on all
686copies. Neither the Government nor the University makes any warranty, express
687or implied, or assumes any liability or responsibility for the use of this
688software.
689
690<P>The GUI is not subject to copyright. Have fun.
691
692<P>Brian Toby (<A HREF="MAILTO:Brian.Toby@NIST.GOV">Brian.Toby@NIST.GOV)</A>
693<BR>
694$Revision: 307 $ $Date: 2009-12-04 23:03:52 +0000 (Fri, 04 Dec 2009) $
695</BODY>
696</HTML>
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