source: trunk/doc/wishlist.html @ 433

Last change on this file since 433 was 432, checked in by toby, 11 years ago

# on 2001/09/04 23:03:56, toby did:
updated

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/09/04 23:03:56
  • Property rcs:lines set to +21 -14
  • Property rcs:rev set to 1.14
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.4 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<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><h1>
28EXPGUI Wish List<BR>
29New Features Completed, In Progress, Planned, or Requested
30</h1></center>
31<P>
32This page describes recent features added to EXPGUI or that are being
33considered for addition.
34See the <A HREF="expgui.html">EXPGUI documentation</A> for a description of
35the current features and see <A HREF="revlog.html">the EXPGUI Revision log</A>
36for a complete list of all changes for the source files.
37
38<H2>Planned</H2><DL>
39<DT>
40finalplot
41<DD>
42FINALPLOT is the program I use for
43publication-quality "Rietveld plot" graphics.
44Not yet ready for "prime time" -- fixup for distribution.
45
46<DT>
47"save as" for DISAGL output
48<DD>
49Rather than only saving as .DIS have a button to bring
50up a "save as" box.
51
52<DT>
53Import coordinates from a different .EXP file
54<DD>
55This can be done using GSAS2CIF and then import from CIF, but
56perhaps I can create a more simple way to do this.
57
58</DL>
59<H2>To be considered</H2><DL>
60<DT>
61A CIF data import filter
62<DD>
63This will require some attention to creating/editing
64instrument parameter files,
65as well as choosing data from the "right" loop_.
66
67<DT>
68Export to Platon
69<DD>
70The platon viewer runs in UNIX and Windows
71(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
72export in the correct format and perhaps even fork the viewer.
73Recommended by Lachlan Cranswick.
74Original URL: http://www.cryst.chem.uu.nl/platon/ & 
75source: ftp://xraysoft.chem.uu.nl/pub/
76
77<DT>
78Interface for Fourier routines
79<DD>
80Perhaps with two parts: map compute set up options and viewing options.
81
82<DT>
83Guide for new users
84<DD>
85Lachlan suggests a "Wizard" but perhaps a set of introductory
86web pages might be more tractable.
87
88</DL>
89<hr>
90<H2>Requested EXPGUI improvements</H2><DL>
91The suggested improvements obtained from EXPGUI users are listed here.
92(Note that some are also listed above). Prioritization is mine, with
93some external input.
94Additional suggestions and input on priorities is welcome, send it to
95<a href="mailto:brian.toby@nist.gov?subject=EXPGUI suggestions">Brian.Toby@NIST.GOV</a>
96<H4>
97Highest
98Priority</h4><UL>
99
100<LI> graphical excluded region editing
101<font color=red>(done)</font>
102
103<LI> Fixed background editor; fit a Chebeschev polynomial to
104        selected background points
105<font color=red>(done)</font>
106
107<LI> import coordinates from EXP files & from .xtl files
108
109<LI> support the new archived .EXP files (.Oxx)
110
111<LI> Liveplot: look for a valid histogram on startup
112<font color=red>(done)</font>
113
114<LI> support new refinement control options (convergence...)
115<font color=red>(done)</font>
116
117<LI> support histogram flags
118
119</UL><h4>
120Medium
121Priority</h4><UL>
122
123<LI> Add GUI support for bond-distance soft constraints
124
125<LI> "finalplot" program for publication-quality output
126
127<LI> Import diffraction data from CIFs (& revisit CIF exporting)
128
129<LI> Fourier Transform interface
130
131<LI> Rework coordinate export interface, support more formats
132        (example Platon, CrystalMaker)
133
134<LI> Support dummy histograms for powder simulations
135
136</UL><h4>
137Low
138Priority</h4><UL>
139
140<LI> "wizard" that would lead new users through the steps of
141        setting up a refinement.
142
143<LI> instrument parameter file editor
144
145<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
146        from another .EXP file
147
148<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
149
150<LI> log/graph parameters vs cycle
151
152</UL><h4>
153Not Planned
154</h4><UL>
155
156<LI> Shelx style disagl output
157
158<LI> point & click GUI-Forplot
159
160<LI> save plot as metafile
161
162</UL>
163<hr>
164</DL>
165
166<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
167Additional features added to EXPGUI in the last year or so are listed here,
168with an approximate date the features were added and the EXPGUI version
169where the feature was added. This list is far from complete.
170For a complete list of all changes for the source files
171see <A HREF="revlog.html">the EXPGUI Revision log</A>
172<P>
173
174<DT>
175Excluded region/Data limits editor
176<DD>
177This allows regions to be selected graphically.
178(9/05, 1.46)
179
180<DT>
181Adjustable screen font selection
182<DD>
183Font size can now be selected from a menu.
184The customization discussion in expgui_cfg.html
185now tells how to do override the default families & relative sizes.
186(9/05, 1.46)
187
188<DT>
189Add Marquardt damping, LeBail damping to GUI
190<DD>
191These parameters are on "LS Controls" pane, along with
192the convergence parameter. The <a HREF="expgui1.html">documentation for this
193pane</A>
194has also been expanded
195to better explain what these options do. (7/01, 1.44)
196
197<DT>
198Fixed background points (BKGEDIT)
199<DD>
200Fits a Chebeshev polynomial to a set of fixed points input by a user.
201If need be (not recommended, though) the background points
202can be input to GSAS as fixed background values. (7/01, 1.44)
203<DT>
204"doc-less" install
205<DD>
206Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
207local system (6/01, 1.43)
208
209<DT>
210Load archived files (Unix only)
211<DD>
212A convenient way to load archived versions of the .EXP file has been
213added to the EXPNAM command (4/01, 1.42).
214
215<DT>
216Sort atoms to be added
217<DD>
218A convenient way to sort the atom list (4/01, 1.42).
219
220<DT>
221WWW links
222<DD>
223Implemented context-sensitive help that brings up web pages
224from local storage. (10/00, 1.38)
225
226<DT>
227Error reporting
228<DD>
229When an invalid entry is specified, (for example 1..0 is typed, instead
230of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
231flag the error. This only happens for entries on the main panes. For
232entries on modal dialogs (where there a "done" or "keep" button), these
233errors will be reported only when the button is pressed. (10/00, 1.38)
234
235<DT>
236Import Atoms/Import Phase
237<DD>
238A CIF import routine is now available. (10/00, 1.38)
239
240<DT>
241"Non-shell" version of EXPGUI
242<DD>
243EXPGUI has two functions, 1) to act as a "shell" that calls the
244various GSAS programs, and 2) to edit the .EXP file. For use with
245MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
246to turn off the "shell" features -- by calling EXPGUI with the argument
247-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
248This mode has not yet been tested. (10/00, 1.36)
249
250<DT>
251NIST accessibility requirement
252<DD>
253NIST requires that all images in WWW pages have an ALT= tag included.
254This has been done on all the documentation HTML pages, despite the
255fact that (in this case) it adds no new content for anyone.
256
257<DT>
258Change space group/Import from file
259<DD>
260A mechanism where one can specify a new space group, cell,
261and reinput all atoms for the phase (to get site syms correct). One can
262keep the old atoms for the phase or replace them. It is possible
263to do this manually or with a file import capability.
264At present the only file type accepted is
265the .CEL format from PowderCell. New format filters can be "dropped" in
266place. (8/00, 1.33)
267
268<DT>
269Import Atoms/Import Phase
270<DD>
271This appears on the add atoms & add phase dialogs and draws on the above.
272(8/00, 1.33)
273
274<DT>
275Transform Atoms
276<DD>
277There is now a "xform atom(s)" button on the phase pane that
278can be used to transform coordinates,
279globally set the occupancy & Uiso and switch atoms between
280iso/aniso and erase selected groups of atoms
281(8/00, 1.31)
282
283<DT>
284Delete phases
285<DD>
286Work around -- change phase flags on the histogram page (appears when 2+ phases
287present).
288(8/00, 1.31)
289
290<DT>
291Spherical Harmonic (ODF) Preferred Orientation
292<DD>
293done
294(7/00, 1.29)
295
296<DT>
297Define background types
298<DD>
299The pull-down background selection menu now shows the names of the
300background functions (7/00, 1.29)
301
302
303</DL>
304<hr>
305<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
306<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
307</TH></TR></TABLE>
308<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
309<br>
310$Revision: 432 $ $Date: 2009-12-04 23:06:04 +0000 (Fri, 04 Dec 2009) $
311</body>
312</html>
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