source: trunk/doc/wishlist.html @ 496

Last change on this file since 496 was 496, checked in by toby, 11 years ago

# on 2001/12/16 18:16:37, toby did:
note showing .EXP status

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/12/16 18:16:37
  • Property rcs:lines set to +5 -1
  • Property rcs:rev set to 1.19
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 9.4 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>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> support histogram flags for non-powder (single xtal & soft-constraint)
76histograms.
77<font color=red>(done)</font>
78
79<LI> Add GUI support for bond-distance soft constraints
80[a major project]
81
82<LI> Support dummy histograms for powder simulations
83<font color=red>(done)</font>
84
85<LI> "finalplot" program for publication-quality output
86
87<LI> Import diffraction data from CIFs (& revisit CIF exporting)
88[a major project]
89
90<LI> Show status information (R-factors & dates) from selected .EXP files & 
91.Oxx files
92<font color=red>(done)</font>
93
94<LI> Fourier Transform interface,
95perhaps with two parts: set up options for map computing and at some
96point later think about map viewing options.
97
98
99<LI> Rework coordinate export interface, support more formats
100        [examples: Platon (http://www.ccp14.ac.uk/tutorial/platon,
101        http://www.cryst.chem.uu.nl/platon/,
102        ftp://xraysoft.chem.uu.nl/pub/),
103         CrystalMaker)
104
105<LI> Support dummy histograms in EXCLEDT
106<font color=red>(done)</font>
107
108</UL><h4>
109Low
110Priority</h4><UL>
111
112<LI> "save as" for DISAGL output
113<font color=red>(done)</font>
114
115<LI> instrument parameter file editor
116
117<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
118        from another .EXP file
119
120<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
121
122<LI> log/graph parameters vs cycle
123
124<LI> "wizard" that would lead new users through the steps of
125        setting up a refinement. This may be hard to do well, but ideas
126        are solicited.
127
128
129</UL><h4>
130Not Planned
131</h4><UL>
132
133<LI> Shelx style disagl output
134
135<LI> point & click GUI-Forplot
136
137<LI> save plot as metafile
138
139</UL>
140<hr>
141</DL>
142
143<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
144Additional features added to EXPGUI since mid-2000 are listed here,
145with an approximate date the features were added and the EXPGUI version
146where the feature was added. This list includes only the major changes.
147For a complete list of all changes for the source files
148see <A HREF="revlog.html">the EXPGUI Revision log</A>
149<P>
150
151<DT>Histogram Flags<DD>
152Histogram flags can be set for all types of histograms.
153(11/2001, 1.51)
154
155<DT>Dummy Histograms<DD>
156Dummy histogram ranges can now be changed in the EXCLEDT routine.
157(11/2001, 1.50)
158
159<DT>
160Excluded region/Data limits editor
161<DD>
162Major rewrite to make compatible with Win-9x & add dummy histogram support
163(11/2001, 1.50)
164
165<DT>LIVEPLOT, BKGEDIT & EXCLEDT
166<DD>new features: manual zoom (z key) and cycle between histograms
167(n key)
168(11/2001, 1.50)
169
170<DT>Update archived file treatment<DD>
171Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
172of hexidecimal digits, as is now done in EXPEDT, GENLES,...
173Archived files can now be read directly in Windows & Unix.
174(10/2001, 1.49)
175
176<DT>Import coordinates from EXP files<DD>
177A .EXP or .Oxx file is selected (as well as a phase,
178if more than one is present) and the coordinates are imported into
179the current experiment file.
180(10/2001, 1.48)
181
182<DT>Web help<DD>
183Fix -NT & -2000 bug in bringing up web pages
184
185<DT>Dummy Histograms<DD>
186Dummy histograms are used to simulate powder diffraction patterns.
187It is now possible to set them up in EXPEDT using the "add histogram"
188button.
189(9/2001, 1.47)
190
191<DT>
192Histogram flags
193<DD>
194The use/do not use flag for histograms can now be set using a button
195on the histogram pane.
196(9/2001, 1.47)
197
198<DT>
199Excluded region/Data limits editor
200<DD>
201This allows the range of data to be included in the refinement
202to be selected graphically.
203(9/2001, 1.46)
204
205<DT>
206Adjustable screen font selection
207<DD>
208Font size can now be selected from a menu. Convenient, as well as
209perhaps improving on utility for folks with visual disabilities.
210The customization discussion in expgui_cfg.html
211now tells how to do override the default families & relative sizes.
212(9/2001, 1.46)
213
214<DT>
215Add Marquardt damping, LeBail damping to GUI
216<DD>
217These parameters are on "LS Controls" pane, along with
218the convergence parameter. The <a HREF="expgui1.html">documentation for this
219pane</A>
220has also been expanded
221to better explain what these options do. (7/2001, 1.44)
222
223<DT>
224Fixed background points (BKGEDIT)
225<DD>
226Fits a Chebeshev polynomial to a set of fixed points input by a user.
227If need be (not recommended, though) the background points
228can be input to GSAS as fixed background values. (7/2001, 1.44)
229<DT>
230"doc-less" install
231<DD>
232Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
233local system (6/2001, 1.43)
234
235<DT>
236Load archived files (Unix only)
237<DD>
238A convenient way to load archived versions of the .EXP file has been
239added to the EXPNAM command (4/2001, 1.42).
240
241<DT>
242Sort atoms to be added
243<DD>
244A convenient way to sort the atom list (4/2001, 1.42).
245
246<DT>
247WWW links
248<DD>
249Implemented context-sensitive help that brings up web pages
250from local storage. (10/2000, 1.38)
251
252<DT>
253Error reporting
254<DD>
255When an invalid entry is specified, (for example 1..0 is typed, instead
256of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
257flag the error. This only happens for entries on the main panes. For
258entries on modal dialogs (where there a "done" or "keep" button), these
259errors will be reported only when the button is pressed. (10/2000, 1.38)
260
261<DT>
262Import Atoms/Import Phase
263<DD>
264A CIF import routine is now available. (10/2000, 1.38)
265
266<DT>
267"Non-shell" version of EXPGUI
268<DD>
269EXPGUI has two functions, 1) to act as a "shell" that calls the
270various GSAS programs, and 2) to edit the .EXP file. For use with
271MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
272to turn off the "shell" features -- by calling EXPGUI with the argument
273-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
274This mode has not yet been tested. (10/2000, 1.36)
275
276<DT>
277NIST accessibility requirement
278<DD>
279NIST requires that all images in WWW pages have an ALT= tag included.
280This has been done on all the documentation HTML pages, despite the
281fact that (in this case) it adds no new content for anyone.
282
283<DT>
284Change space group/Import from file
285<DD>
286A mechanism where one can specify a new space group, cell,
287and reinput all atoms for the phase (to get site syms correct). One can
288keep the old atoms for the phase or replace them. It is possible
289to do this manually or with a file import capability.
290At present the only file type accepted is
291the .CEL format from PowderCell. New format filters can be "dropped" in
292place. (8/2000, 1.33)
293
294<DT>
295Import Atoms/Import Phase
296<DD>
297This appears on the add atoms & add phase dialogs and draws on the above.
298(8/2000, 1.33)
299
300<DT>
301Transform Atoms
302<DD>
303There is now a "xform atom(s)" button on the phase pane that
304can be used to transform coordinates,
305globally set the occupancy & Uiso and switch atoms between
306iso/aniso and erase selected groups of atoms
307(8/2000, 1.31)
308
309<DT>
310Delete phases
311<DD>
312Work around -- change phase flags on the histogram page (appears when 2+ phases
313present).
314(8/2000, 1.31)
315
316<DT>
317Spherical Harmonic (ODF) Preferred Orientation
318<DD>
319done
320(7/2000, 1.29)
321
322<DT>
323Define background types
324<DD>
325The pull-down background selection menu now shows the names of the
326background functions (7/2000, 1.29)
327
328
329</DL>
330<hr>
331<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
332<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
333</TH></TR></TABLE>
334<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
335<br>
336$Revision: 496 $ $Date: 2009-12-04 23:07:08 +0000 (Fri, 04 Dec 2009) $
337</body>
338</html>
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