source: trunk/doc/wishlist.html @ 348

Last change on this file since 348 was 348, checked in by toby, 11 years ago

# on 2000/11/21 21:21:57, toby did:
more ideas

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  • Property rcs:date set to 2000/11/21 21:21:57
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  • Property rcs:rev set to 1.11
  • Property rcs:state set to Exp
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File size: 5.6 KB
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI Wish List</title>
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<br clear=all><hr>
22
23<center><h1>
24EXPGUI Wish List<BR>
25New Features In Progress, Planned, or Requested
26</h1></center>
27<P>
28See the
29<A HREF="expgui.html">EXPGUI documentation</A> for a description of
30the current features.
31
32<H2>In Progress</H2><DL>
33<DT>
34finalplot
35<DD>
36Produces publication-quality "Rietveld plot" graphics.
37Not yet ready for "prime time" -- fixup for distribution.
38
39</DL><H2>Perhaps someday</H2><DL>
40<DT>
41Excluded region editor
42<DD>
43This would make most sense to do graphically, somehow
44involving liveplot.
45
46<DT>
47Set default maximum 2theta/TOF, when reading a data file
48<DD>
49When reading the bank lines in the "add histogram" submenu,
50pick up the max 2theta (etc.) & set the maximum in the box as banks
51are selected.
52
53<DT>
54Sort atoms to be added
55<DD>
56A convenient way to sort the atom list
57
58<DT>
59Import coordinates from a different .EXP file
60<DD>
61This can be done using GSAS2CIF and then import from CIF, but
62perhaps I can create a more simple way to do this.
63
64<DT>
65Redo screen font selection and customization
66<DD>
67Larger fonts improve the appearance with only a minor
68cost in size. The customization discussion in expgui_cfg.html
69now shows how to do this, but it could be quite a bit cleaner.
70
71<DT>
72Add Marquardt damping parameter
73<DD>
74Under "LS Controls" would be a logical place for this.
75Also, I think there is now a damping factor for Le Bail shifts, too.
76
77<DT>
78A CIF data import filter
79<DD>
80This will require some attention to creating/editing
81instrument parameter files,
82as well as choosing data from the "right" loop_.
83
84
85<DT>
86Fixed background
87<DD>
88I do not like fixed background use, but agree that fixed points are useful
89for starting a fit. I would like to have a routine that fits a
90Chebeshev polynomial to a set of fixed points input by a user.
91
92<DT>
93Export to Platon
94<DD>
95The platon viewer runs in UNIX and Windows
96(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
97export in the correct format and perhaps even fork the viewer.
98Recommended by Lachlan Cranswick.
99Original URL: http://www.cryst.chem.uu.nl/platon/ & 
100source: ftp://xraysoft.chem.uu.nl/pub/
101
102<DT>
103Interface for Fourier routines
104<DD>
105Perhaps with two parts: map compute set up options and viewing options.
106
107<DT>
108Guide for new users
109<DD>
110Lachlan suggests a "Wizard" but perhaps a set of introductory
111web pages might be more tractable.
112
113</DL><H2>Brand New</H2><DL>
114
115<DT>
116WWW links
117<DD>
118Implemented context-sensitive help that brings up web pages
119from local storage.
120
121<DT>
122Error reporting
123<DD>
124When an invalid entry is specified, (for example 1..0 is typed, instead
125of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
126flag the error. This only happens for entries on the main panes. For
127entries on modal dialogs (where there a "done" or "keep" button), these
128errors will be reported only when the button is pressed.
129
130<DT>
131Import Atoms/Import Phase
132<DD>
133A CIF import routine is now available
134
135<DT>
136Change phase pane color
137<DD>
138The beige color of the bottom box on the phase pane is too similar to the
139yellow color of the refinement flag. This color is now a variable
140[expgui(bkgcolor1)]. The default value, #fdf, is a light violet that
141will probably drive some folks nuts. It can be customized.
142
143<DT>
144"Non-shell" version of EXPGUI
145<DD>
146EXPGUI has two functions, 1) to act as a "shell" that calls the
147various GSAS programs, and 2) to edit the .EXP file. For use with
148MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
149to turn off the "shell" features -- by calling EXPGUI with the argument
150-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
151This mode has not yet been tested.
152
153<DT>
154NIST accessibility requirement
155<DD>
156NIST requires that all images in WWW pages have an ALT= tag included.
157This has been done on all the documentation HTML pages, despite the
158fact that (in this case) it adds no new content for anyone.
159
160<DT>
161Change space group
162<DD>
163A mechanism where one can specify a new space group, cell,
164and reinput all atoms for the phase (to get site syms correct). One can
165keep the old atoms for the phase or replace them. It is possible
166to do this manually or with a file import capability.
167At present the only file type accepted is
168the .CEL format from PowderCell. New format filters can be "dropped" in
169place.
170
171<DT>
172Import Atoms/Import Phase
173<DD>
174This appears on the add atoms & add phase dialogs and draws on the above.
175
176<DT>
177Transform Atoms
178<DD>
179There is now a "xform atom(s)" button on the phase pane that
180can be used to transform coordinates,
181globally set the occupancy & Uiso and switch atoms between
182iso/aniso and erase selected groups of atoms
183
184<DT>
185Spherical Harmonic (ODF) Preferred Orientation
186<DD>
187done
188
189<DT>
190Delete phases
191<DD>
192Instead -- change phase flags on the histogram page (appears when 2+ phases
193present).
194
195<DT>
196Define background types
197<DD>
198The pull-down background selection menu now shows the names of the
199background functions
200
201
202</DL>
203<p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
204<br>
205$Revision: 348 $ $Date: 2009-12-04 23:04:33 +0000 (Fri, 04 Dec 2009) $
206</body>
207</html>
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