source: trunk/doc/wishlist.html @ 344

Last change on this file since 344 was 344, checked in by toby, 11 years ago

# on 2000/10/18 00:11:17, toby did:
fixup formatting

  • Property rcs:author set to toby
  • Property rcs:date set to 2000/10/18 00:11:17
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  • Property rcs:rev set to 1.9
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 4.8 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
34<DT>
35WWW links
36<DD>
37Implement context-sensitive help that brings up web pages
38from local storage (or a web-site?).
39
40
41</DL><H2>Perhaps someday</H2><DL>
42<DT>
43Excluded region editor
44<DD>
45This would make most sense to do graphically, somehow
46involving liveplot.
47
48<DT>
49Sort atoms to be added
50<DD>
51A convenient way to sort the atom list
52
53<DT>
54A CIF data import filter
55<DD>
56This will require some attention to creating/editing
57instrument parameter files,
58as well as choosing data from the "right" loop_.
59
60
61<DT>
62Fixed background
63<DD>
64I do not like fixed background use, but agree that fixed points are useful
65for starting a fit. I would like to have a routine that fits a
66Chebeshev polynomial to a set of fixed points input by a user.
67
68<DT>
69Export to Platon
70<DD>
71The platon viewer runs in UNIX and Windows
72(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
73export in the correct format and perhaps even fork the viewer.
74Recommended by Lachlan Cranswick.
75Original URL: http://www.cryst.chem.uu.nl/platon/ & 
76source: ftp://xraysoft.chem.uu.nl/pub/
77
78<DT>
79Interface for Fourier routines
80<DD>
81Perhaps with two parts: map compute set up options and viewing options.
82
83<DT>
84Guide for new users
85<DD>
86Lachlan suggests a "Wizard" but perhaps a set of introductory
87web pages might be more tractable.
88
89</DL><H2>Brand New</H2><DL>
90
91<DT>
92Error reporting
93<DD>
94When an invalid entry is specified, (for example 1..0 is typed, instead
95of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
96flag the error. This only happens for entries on the main panes. For
97entries on modal dialogs (where there a "done" or "keep" button), these
98errors will be reported only when the button is pressed.
99
100<DT>
101Import Atoms/Import Phase
102<DD>
103A CIF import routine is now available
104
105<DT>
106Change phase pane color
107<DD>
108The beige color of the bottom box on the phase pane is too similar to the
109yellow color of the refinement flag. This color is now a variable
110[expgui(bkgcolor1)]. The default value, #fdf, is a light violet that
111will probably drive some folks nuts. It can be customized.
112
113<DT>
114"Non-shell" version of EXPGUI
115<DD>
116EXPGUI has two functions, 1) to act as a "shell" that calls the
117various GSAS programs, and 2) to edit the .EXP file. For use with
118MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
119to turn off the "shell" features -- by calling EXPGUI with the argument
120-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
121This mode has not yet been tested.
122
123<DT>
124NIST accessibility requirement
125<DD>
126NIST requires that all images in WWW pages have an ALT= tag included.
127This has been done on all the documentation HTML pages, despite the
128fact that (in this case) it adds no new content for anyone.
129
130<DT>
131Change space group
132<DD>
133A mechanism where one can specify a new space group, cell,
134and reinput all atoms for the phase (to get site syms correct). One can
135keep the old atoms for the phase or replace them. It is possible
136to do this manually or with a file import capability.
137At present the only file type accepted is
138the .CEL format from PowderCell. New format filters can be "dropped" in
139place.
140
141<DT>
142Import Atoms/Import Phase
143<DD>
144This appears on the add atoms & add phase dialogs and draws on the above.
145
146<DT>
147Transform Atoms
148<DD>
149There is now a "xform atom(s)" button on the phase pane that
150can be used to transform coordinates,
151globally set the occupancy & Uiso and switch atoms between
152iso/aniso and erase selected groups of atoms
153
154<DT>
155Spherical Harmonic (ODF) Preferred Orientation
156<DD>
157done
158
159<DT>
160Delete phases
161<DD>
162Instead -- change phase flags on the histogram page (appears when 2+ phases
163present).
164
165<DT>
166Define background types
167<DD>
168The pull-down background selection menu now shows the names of the
169background functions
170
171
172</DL>
173<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>)
174<br>
175$Revision: 344 $ $Date: 2009-12-04 23:04:29 +0000 (Fri, 04 Dec 2009) $
176</body>
177</html>
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