source: trunk/doc/wishlist.html @ 476

Last change on this file since 476 was 465, checked in by toby, 12 years ago

# on 2001/10/18 23:17:12, toby did:
updates

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/10/18 23:17:12
  • Property rcs:lines set to +7 -0
  • Property rcs:rev set to 1.17
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.6 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<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>Requested EXPGUI improvements 2001-</H2><DL>
39The suggested improvements obtained from EXPGUI users are listed here.
40Prioritization is mine, with input from users.
41Additional suggestions and input on priorities are welcome; send them to
42<a href="mailto:brian.toby@nist.gov?subject=EXPGUI suggestions">Brian.Toby@NIST.GOV</a>
43<H4>
44Highest
45Priority</h4><UL>
46
47<LI> graphical excluded region editing
48<font color=red>(done)</font>
49
50<LI> Fixed background editor; fit a Chebeschev polynomial to
51        selected background points
52<font color=red>(done)</font>
53
54<LI> import coordinates from EXP files
55<font color=red>(done)</font>
56
57<LI> import coordinates from .xtl files
58
59<LI> support the new archived .EXP files (.Oxx)
60<font color=red>(done)</font>
61
62<LI> Liveplot: look for a valid histogram on startup
63<font color=red>(done)</font>
64
65<LI> support new refinement control options (convergence...)
66<font color=red>(done)</font>
67
68<LI> support histogram flags
69<font color=red>(done)</font>
70
71</UL><h4>
72Medium
73Priority</h4><UL>
74
75<LI> Add GUI support for bond-distance soft constraints
76[a major project]
77
78<LI> Support dummy histograms for powder simulations
79<font color=red>(done)</font>
80
81<LI> "finalplot" program for publication-quality output
82
83<LI> Import diffraction data from CIFs (& revisit CIF exporting)
84[a major project]
85
86<LI> Fourier Transform interface,
87perhaps with two parts: set up options for map computing and at some
88point later think about map viewing options.
89
90
91<LI> Rework coordinate export interface, support more formats
92        [examples: Platon (http://www.ccp14.ac.uk/tutorial/platon,
93        http://www.cryst.chem.uu.nl/platon/,
94        ftp://xraysoft.chem.uu.nl/pub/),
95         CrystalMaker)
96
97<LI> Support dummy histograms in EXCLEDT
98
99</UL><h4>
100Low
101Priority</h4><UL>
102
103<LI> "save as" for DISAGL output
104
105<LI> instrument parameter file editor
106
107<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
108        from another .EXP file
109
110<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
111
112<LI> log/graph parameters vs cycle
113
114<LI> "wizard" that would lead new users through the steps of
115        setting up a refinement. This may be hard to do well, but ideas
116        are solicited.
117
118
119</UL><h4>
120Not Planned
121</h4><UL>
122
123<LI> Shelx style disagl output
124
125<LI> point & click GUI-Forplot
126
127<LI> save plot as metafile
128
129</UL>
130<hr>
131</DL>
132
133<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
134Additional features added to EXPGUI since mid-2000 are listed here,
135with an approximate date the features were added and the EXPGUI version
136where the feature was added. This list includes only the major changes.
137For a complete list of all changes for the source files
138see <A HREF="revlog.html">the EXPGUI Revision log</A>
139<P>
140
141<DT>Update archived file treatment<DD>
142Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
143of hexidecimal digits, as is now done in EXPEDT, GENLES,...
144Archived files can now be read directly in Windows & Unix.
145(10/2001, 1.49)
146
147<DT>Import coordinates from EXP files<DD>
148A .EXP or .Oxx file is selected (as well as a phase,
149if more than one is present) and the coordinates are imported into
150the current experiment file.
151(10/2001, 1.48)
152
153<DT>Dummy Histograms<DD>
154Dummy histograms are used to simulate powder diffraction patterns.
155It is now possible to set them up in EXPEDT using the "add histogram"
156button.
157(9/2001, 1.47)
158
159<DT>
160Histogram flags
161<DD>
162The use/do not use flag for histograms can now be set using a button
163on the histogram pane.
164(9/2001, 1.47)
165
166<DT>
167Excluded region/Data limits editor
168<DD>
169This allows the range of data to be included in the refinement
170to be selected graphically.
171(9/2001, 1.46)
172
173<DT>
174Adjustable screen font selection
175<DD>
176Font size can now be selected from a menu. Convenient, as well as
177perhaps improving on utility for folks with visual disabilities.
178The customization discussion in expgui_cfg.html
179now tells how to do override the default families & relative sizes.
180(9/2001, 1.46)
181
182<DT>
183Add Marquardt damping, LeBail damping to GUI
184<DD>
185These parameters are on "LS Controls" pane, along with
186the convergence parameter. The <a HREF="expgui1.html">documentation for this
187pane</A>
188has also been expanded
189to better explain what these options do. (7/2001, 1.44)
190
191<DT>
192Fixed background points (BKGEDIT)
193<DD>
194Fits a Chebeshev polynomial to a set of fixed points input by a user.
195If need be (not recommended, though) the background points
196can be input to GSAS as fixed background values. (7/2001, 1.44)
197<DT>
198"doc-less" install
199<DD>
200Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
201local system (6/2001, 1.43)
202
203<DT>
204Load archived files (Unix only)
205<DD>
206A convenient way to load archived versions of the .EXP file has been
207added to the EXPNAM command (4/2001, 1.42).
208
209<DT>
210Sort atoms to be added
211<DD>
212A convenient way to sort the atom list (4/2001, 1.42).
213
214<DT>
215WWW links
216<DD>
217Implemented context-sensitive help that brings up web pages
218from local storage. (10/2000, 1.38)
219
220<DT>
221Error reporting
222<DD>
223When an invalid entry is specified, (for example 1..0 is typed, instead
224of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
225flag the error. This only happens for entries on the main panes. For
226entries on modal dialogs (where there a "done" or "keep" button), these
227errors will be reported only when the button is pressed. (10/2000, 1.38)
228
229<DT>
230Import Atoms/Import Phase
231<DD>
232A CIF import routine is now available. (10/2000, 1.38)
233
234<DT>
235"Non-shell" version of EXPGUI
236<DD>
237EXPGUI has two functions, 1) to act as a "shell" that calls the
238various GSAS programs, and 2) to edit the .EXP file. For use with
239MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
240to turn off the "shell" features -- by calling EXPGUI with the argument
241-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
242This mode has not yet been tested. (10/2000, 1.36)
243
244<DT>
245NIST accessibility requirement
246<DD>
247NIST requires that all images in WWW pages have an ALT= tag included.
248This has been done on all the documentation HTML pages, despite the
249fact that (in this case) it adds no new content for anyone.
250
251<DT>
252Change space group/Import from file
253<DD>
254A mechanism where one can specify a new space group, cell,
255and reinput all atoms for the phase (to get site syms correct). One can
256keep the old atoms for the phase or replace them. It is possible
257to do this manually or with a file import capability.
258At present the only file type accepted is
259the .CEL format from PowderCell. New format filters can be "dropped" in
260place. (8/2000, 1.33)
261
262<DT>
263Import Atoms/Import Phase
264<DD>
265This appears on the add atoms & add phase dialogs and draws on the above.
266(8/2000, 1.33)
267
268<DT>
269Transform Atoms
270<DD>
271There is now a "xform atom(s)" button on the phase pane that
272can be used to transform coordinates,
273globally set the occupancy & Uiso and switch atoms between
274iso/aniso and erase selected groups of atoms
275(8/2000, 1.31)
276
277<DT>
278Delete phases
279<DD>
280Work around -- change phase flags on the histogram page (appears when 2+ phases
281present).
282(8/2000, 1.31)
283
284<DT>
285Spherical Harmonic (ODF) Preferred Orientation
286<DD>
287done
288(7/2000, 1.29)
289
290<DT>
291Define background types
292<DD>
293The pull-down background selection menu now shows the names of the
294background functions (7/2000, 1.29)
295
296
297</DL>
298<hr>
299<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
300<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
301</TH></TR></TABLE>
302<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
303<br>
304$Revision: 465 $ $Date: 2009-12-04 23:06:37 +0000 (Fri, 04 Dec 2009) $
305</body>
306</html>
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