source: trunk/doc/wishlist.html @ 345

Last change on this file since 345 was 345, checked in by toby, 11 years ago

# on 2000/10/23 14:41:11, toby did:
more ideas from Lachlan

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  • Property rcs:date set to 2000/10/23 14:41:11
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File size: 5.4 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>
65Add Marquardt damping parameter
66<DD>
67Under "LS Controls" would be a logical place for this.
68Also, I think there is now a damping factor for Le Bail shifts, too.
69
70<DT>
71A CIF data import filter
72<DD>
73This will require some attention to creating/editing
74instrument parameter files,
75as well as choosing data from the "right" loop_.
76
77
78<DT>
79Fixed background
80<DD>
81I do not like fixed background use, but agree that fixed points are useful
82for starting a fit. I would like to have a routine that fits a
83Chebeshev polynomial to a set of fixed points input by a user.
84
85<DT>
86Export to Platon
87<DD>
88The platon viewer runs in UNIX and Windows
89(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
90export in the correct format and perhaps even fork the viewer.
91Recommended by Lachlan Cranswick.
92Original URL: http://www.cryst.chem.uu.nl/platon/ & 
93source: ftp://xraysoft.chem.uu.nl/pub/
94
95<DT>
96Interface for Fourier routines
97<DD>
98Perhaps with two parts: map compute set up options and viewing options.
99
100<DT>
101Guide for new users
102<DD>
103Lachlan suggests a "Wizard" but perhaps a set of introductory
104web pages might be more tractable.
105
106</DL><H2>Brand New</H2><DL>
107
108<DT>
109WWW links
110<DD>
111Implemented context-sensitive help that brings up web pages
112from local storage.
113
114<DT>
115Error reporting
116<DD>
117When an invalid entry is specified, (for example 1..0 is typed, instead
118of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
119flag the error. This only happens for entries on the main panes. For
120entries on modal dialogs (where there a "done" or "keep" button), these
121errors will be reported only when the button is pressed.
122
123<DT>
124Import Atoms/Import Phase
125<DD>
126A CIF import routine is now available
127
128<DT>
129Change phase pane color
130<DD>
131The beige color of the bottom box on the phase pane is too similar to the
132yellow color of the refinement flag. This color is now a variable
133[expgui(bkgcolor1)]. The default value, #fdf, is a light violet that
134will probably drive some folks nuts. It can be customized.
135
136<DT>
137"Non-shell" version of EXPGUI
138<DD>
139EXPGUI has two functions, 1) to act as a "shell" that calls the
140various GSAS programs, and 2) to edit the .EXP file. For use with
141MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
142to turn off the "shell" features -- by calling EXPGUI with the argument
143-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
144This mode has not yet been tested.
145
146<DT>
147NIST accessibility requirement
148<DD>
149NIST requires that all images in WWW pages have an ALT= tag included.
150This has been done on all the documentation HTML pages, despite the
151fact that (in this case) it adds no new content for anyone.
152
153<DT>
154Change space group
155<DD>
156A mechanism where one can specify a new space group, cell,
157and reinput all atoms for the phase (to get site syms correct). One can
158keep the old atoms for the phase or replace them. It is possible
159to do this manually or with a file import capability.
160At present the only file type accepted is
161the .CEL format from PowderCell. New format filters can be "dropped" in
162place.
163
164<DT>
165Import Atoms/Import Phase
166<DD>
167This appears on the add atoms & add phase dialogs and draws on the above.
168
169<DT>
170Transform Atoms
171<DD>
172There is now a "xform atom(s)" button on the phase pane that
173can be used to transform coordinates,
174globally set the occupancy & Uiso and switch atoms between
175iso/aniso and erase selected groups of atoms
176
177<DT>
178Spherical Harmonic (ODF) Preferred Orientation
179<DD>
180done
181
182<DT>
183Delete phases
184<DD>
185Instead -- change phase flags on the histogram page (appears when 2+ phases
186present).
187
188<DT>
189Define background types
190<DD>
191The pull-down background selection menu now shows the names of the
192background functions
193
194
195</DL>
196<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>)
197<br>
198$Revision: 345 $ $Date: 2009-12-04 23:04:30 +0000 (Fri, 04 Dec 2009) $
199</body>
200</html>
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