source: trunk/doc/wishlist.html @ 486

Last change on this file since 486 was 486, checked in by toby, 11 years ago

# on 2001/11/07 19:02:53, toby did:
new release (1.51)

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/11/07 19:02:53
  • Property rcs:lines set to +29 -1
  • Property rcs:rev set to 1.18
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 9.3 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> Fourier Transform interface,
91perhaps with two parts: set up options for map computing and at some
92point later think about map viewing options.
93
94
95<LI> Rework coordinate export interface, support more formats
96        [examples: Platon (http://www.ccp14.ac.uk/tutorial/platon,
97        http://www.cryst.chem.uu.nl/platon/,
98        ftp://xraysoft.chem.uu.nl/pub/),
99         CrystalMaker)
100
101<LI> Support dummy histograms in EXCLEDT
102<font color=red>(done)</font>
103
104</UL><h4>
105Low
106Priority</h4><UL>
107
108<LI> "save as" for DISAGL output
109<font color=red>(done)</font>
110
111<LI> instrument parameter file editor
112
113<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
114        from another .EXP file
115
116<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
117
118<LI> log/graph parameters vs cycle
119
120<LI> "wizard" that would lead new users through the steps of
121        setting up a refinement. This may be hard to do well, but ideas
122        are solicited.
123
124
125</UL><h4>
126Not Planned
127</h4><UL>
128
129<LI> Shelx style disagl output
130
131<LI> point & click GUI-Forplot
132
133<LI> save plot as metafile
134
135</UL>
136<hr>
137</DL>
138
139<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
140Additional features added to EXPGUI since mid-2000 are listed here,
141with an approximate date the features were added and the EXPGUI version
142where the feature was added. This list includes only the major changes.
143For a complete list of all changes for the source files
144see <A HREF="revlog.html">the EXPGUI Revision log</A>
145<P>
146
147<DT>Histogram Flags<DD>
148Histogram flags can be set for all types of histograms.
149(11/2001, 1.51)
150
151<DT>Dummy Histograms<DD>
152Dummy histogram ranges can now be changed in the EXCLEDT routine.
153(11/2001, 1.50)
154
155<DT>
156Excluded region/Data limits editor
157<DD>
158Major rewrite to make compatible with Win-9x & add dummy histogram support
159(11/2001, 1.50)
160
161<DT>LIVEPLOT, BKGEDIT & EXCLEDT
162<DD>new features: manual zoom (z key) and cycle between histograms
163(n key)
164(11/2001, 1.50)
165
166<DT>Update archived file treatment<DD>
167Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
168of hexidecimal digits, as is now done in EXPEDT, GENLES,...
169Archived files can now be read directly in Windows & Unix.
170(10/2001, 1.49)
171
172<DT>Import coordinates from EXP files<DD>
173A .EXP or .Oxx file is selected (as well as a phase,
174if more than one is present) and the coordinates are imported into
175the current experiment file.
176(10/2001, 1.48)
177
178<DT>Web help<DD>
179Fix -NT & -2000 bug in bringing up web pages
180
181<DT>Dummy Histograms<DD>
182Dummy histograms are used to simulate powder diffraction patterns.
183It is now possible to set them up in EXPEDT using the "add histogram"
184button.
185(9/2001, 1.47)
186
187<DT>
188Histogram flags
189<DD>
190The use/do not use flag for histograms can now be set using a button
191on the histogram pane.
192(9/2001, 1.47)
193
194<DT>
195Excluded region/Data limits editor
196<DD>
197This allows the range of data to be included in the refinement
198to be selected graphically.
199(9/2001, 1.46)
200
201<DT>
202Adjustable screen font selection
203<DD>
204Font size can now be selected from a menu. Convenient, as well as
205perhaps improving on utility for folks with visual disabilities.
206The customization discussion in expgui_cfg.html
207now tells how to do override the default families & relative sizes.
208(9/2001, 1.46)
209
210<DT>
211Add Marquardt damping, LeBail damping to GUI
212<DD>
213These parameters are on "LS Controls" pane, along with
214the convergence parameter. The <a HREF="expgui1.html">documentation for this
215pane</A>
216has also been expanded
217to better explain what these options do. (7/2001, 1.44)
218
219<DT>
220Fixed background points (BKGEDIT)
221<DD>
222Fits a Chebeshev polynomial to a set of fixed points input by a user.
223If need be (not recommended, though) the background points
224can be input to GSAS as fixed background values. (7/2001, 1.44)
225<DT>
226"doc-less" install
227<DD>
228Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
229local system (6/2001, 1.43)
230
231<DT>
232Load archived files (Unix only)
233<DD>
234A convenient way to load archived versions of the .EXP file has been
235added to the EXPNAM command (4/2001, 1.42).
236
237<DT>
238Sort atoms to be added
239<DD>
240A convenient way to sort the atom list (4/2001, 1.42).
241
242<DT>
243WWW links
244<DD>
245Implemented context-sensitive help that brings up web pages
246from local storage. (10/2000, 1.38)
247
248<DT>
249Error reporting
250<DD>
251When an invalid entry is specified, (for example 1..0 is typed, instead
252of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
253flag the error. This only happens for entries on the main panes. For
254entries on modal dialogs (where there a "done" or "keep" button), these
255errors will be reported only when the button is pressed. (10/2000, 1.38)
256
257<DT>
258Import Atoms/Import Phase
259<DD>
260A CIF import routine is now available. (10/2000, 1.38)
261
262<DT>
263"Non-shell" version of EXPGUI
264<DD>
265EXPGUI has two functions, 1) to act as a "shell" that calls the
266various GSAS programs, and 2) to edit the .EXP file. For use with
267MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
268to turn off the "shell" features -- by calling EXPGUI with the argument
269-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
270This mode has not yet been tested. (10/2000, 1.36)
271
272<DT>
273NIST accessibility requirement
274<DD>
275NIST requires that all images in WWW pages have an ALT= tag included.
276This has been done on all the documentation HTML pages, despite the
277fact that (in this case) it adds no new content for anyone.
278
279<DT>
280Change space group/Import from file
281<DD>
282A mechanism where one can specify a new space group, cell,
283and reinput all atoms for the phase (to get site syms correct). One can
284keep the old atoms for the phase or replace them. It is possible
285to do this manually or with a file import capability.
286At present the only file type accepted is
287the .CEL format from PowderCell. New format filters can be "dropped" in
288place. (8/2000, 1.33)
289
290<DT>
291Import Atoms/Import Phase
292<DD>
293This appears on the add atoms & add phase dialogs and draws on the above.
294(8/2000, 1.33)
295
296<DT>
297Transform Atoms
298<DD>
299There is now a "xform atom(s)" button on the phase pane that
300can be used to transform coordinates,
301globally set the occupancy & Uiso and switch atoms between
302iso/aniso and erase selected groups of atoms
303(8/2000, 1.31)
304
305<DT>
306Delete phases
307<DD>
308Work around -- change phase flags on the histogram page (appears when 2+ phases
309present).
310(8/2000, 1.31)
311
312<DT>
313Spherical Harmonic (ODF) Preferred Orientation
314<DD>
315done
316(7/2000, 1.29)
317
318<DT>
319Define background types
320<DD>
321The pull-down background selection menu now shows the names of the
322background functions (7/2000, 1.29)
323
324
325</DL>
326<hr>
327<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
328<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
329</TH></TR></TABLE>
330<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
331<br>
332$Revision: 486 $ $Date: 2009-12-04 23:06:58 +0000 (Fri, 04 Dec 2009) $
333</body>
334</html>
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