source: trunk/doc/wishlist.html @ 375

Last change on this file since 375 was 375, checked in by toby, 11 years ago

# on 2001/02/26 19:52:54, toby did:
more stuff to do

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/02/26 19:52:54
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  • Property rcs:rev set to 1.12
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 5.8 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<DT>
40"save as" for DISAGL output
41<DD>
42Rather than only saving as .DIS have a button to bring
43up a "save as" box.
44
45</DL><H2>Perhaps someday</H2><DL>
46<DT>
47Excluded region editor
48<DD>
49This would make most sense to do graphically, somehow
50involving liveplot.
51
52<DT>
53Set default maximum 2theta/TOF, when reading a data file
54<DD>
55When reading the bank lines in the "add histogram" submenu,
56pick up the max 2theta (etc.) & set the maximum in the box as banks
57are selected.
58
59<DT>
60Sort atoms to be added
61<DD>
62A convenient way to sort the atom list
63
64<DT>
65Import coordinates from a different .EXP file
66<DD>
67This can be done using GSAS2CIF and then import from CIF, but
68perhaps I can create a more simple way to do this.
69
70<DT>
71Redo screen font selection and customization
72<DD>
73Larger fonts improve the appearance with only a minor
74cost in size. The customization discussion in expgui_cfg.html
75now shows how to do this, but it could be quite a bit cleaner.
76
77<DT>
78Add Marquardt damping parameter
79<DD>
80Under "LS Controls" would be a logical place for this.
81Also, I think there is now a damping factor for Le Bail shifts, too.
82
83<DT>
84A CIF data import filter
85<DD>
86This will require some attention to creating/editing
87instrument parameter files,
88as well as choosing data from the "right" loop_.
89
90
91<DT>
92Fixed background
93<DD>
94I do not like fixed background use, but agree that fixed points are useful
95for starting a fit. I would like to have a routine that fits a
96Chebeshev polynomial to a set of fixed points input by a user.
97
98<DT>
99Export to Platon
100<DD>
101The platon viewer runs in UNIX and Windows
102(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
103export in the correct format and perhaps even fork the viewer.
104Recommended by Lachlan Cranswick.
105Original URL: http://www.cryst.chem.uu.nl/platon/ & 
106source: ftp://xraysoft.chem.uu.nl/pub/
107
108<DT>
109Interface for Fourier routines
110<DD>
111Perhaps with two parts: map compute set up options and viewing options.
112
113<DT>
114Guide for new users
115<DD>
116Lachlan suggests a "Wizard" but perhaps a set of introductory
117web pages might be more tractable.
118
119</DL><H2>Brand New</H2><DL>
120
121<DT>
122WWW links
123<DD>
124Implemented context-sensitive help that brings up web pages
125from local storage.
126
127<DT>
128Error reporting
129<DD>
130When an invalid entry is specified, (for example 1..0 is typed, instead
131of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
132flag the error. This only happens for entries on the main panes. For
133entries on modal dialogs (where there a "done" or "keep" button), these
134errors will be reported only when the button is pressed.
135
136<DT>
137Import Atoms/Import Phase
138<DD>
139A CIF import routine is now available
140
141<DT>
142Change phase pane color
143<DD>
144The beige color of the bottom box on the phase pane is too similar to the
145yellow color of the refinement flag. This color is now a variable
146[expgui(bkgcolor1)]. The default value, #fdf, is a light violet that
147will probably drive some folks nuts. It can be customized.
148
149<DT>
150"Non-shell" version of EXPGUI
151<DD>
152EXPGUI has two functions, 1) to act as a "shell" that calls the
153various GSAS programs, and 2) to edit the .EXP file. For use with
154MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
155to turn off the "shell" features -- by calling EXPGUI with the argument
156-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
157This mode has not yet been tested.
158
159<DT>
160NIST accessibility requirement
161<DD>
162NIST requires that all images in WWW pages have an ALT= tag included.
163This has been done on all the documentation HTML pages, despite the
164fact that (in this case) it adds no new content for anyone.
165
166<DT>
167Change space group
168<DD>
169A mechanism where one can specify a new space group, cell,
170and reinput all atoms for the phase (to get site syms correct). One can
171keep the old atoms for the phase or replace them. It is possible
172to do this manually or with a file import capability.
173At present the only file type accepted is
174the .CEL format from PowderCell. New format filters can be "dropped" in
175place.
176
177<DT>
178Import Atoms/Import Phase
179<DD>
180This appears on the add atoms & add phase dialogs and draws on the above.
181
182<DT>
183Transform Atoms
184<DD>
185There is now a "xform atom(s)" button on the phase pane that
186can be used to transform coordinates,
187globally set the occupancy & Uiso and switch atoms between
188iso/aniso and erase selected groups of atoms
189
190<DT>
191Spherical Harmonic (ODF) Preferred Orientation
192<DD>
193done
194
195<DT>
196Delete phases
197<DD>
198Instead -- change phase flags on the histogram page (appears when 2+ phases
199present).
200
201<DT>
202Define background types
203<DD>
204The pull-down background selection menu now shows the names of the
205background functions
206
207
208</DL>
209<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>)
210<br>
211$Revision: 375 $ $Date: 2009-12-04 23:05:07 +0000 (Fri, 04 Dec 2009) $
212</body>
213</html>
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