source: trunk/doc/wishlist.html @ 455

Last change on this file since 455 was 455, checked in by toby, 11 years ago

# on 2001/10/14 05:32:26, toby did:
.EXP coord import

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/10/14 05:32:26
  • Property rcs:lines set to +29 -20
  • Property rcs:rev set to 1.16
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.3 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
61<LI> Liveplot: look for a valid histogram on startup
62<font color=red>(done)</font>
63
64<LI> support new refinement control options (convergence...)
65<font color=red>(done)</font>
66
67<LI> support histogram flags
68<font color=red>(done)</font>
69
70</UL><h4>
71Medium
72Priority</h4><UL>
73
74<LI> Add GUI support for bond-distance soft constraints
75[a major project]
76
77<LI> Support dummy histograms for powder simulations
78<font color=red>(done)</font>
79
80<LI> "finalplot" program for publication-quality output
81
82<LI> Import diffraction data from CIFs (& revisit CIF exporting)
83[a major project]
84
85<LI> Fourier Transform interface,
86perhaps with two parts: set up options for map computing and at some
87point later think about map viewing options.
88
89
90<LI> Rework coordinate export interface, support more formats
91        [examples: Platon (http://www.ccp14.ac.uk/tutorial/platon,
92        http://www.cryst.chem.uu.nl/platon/,
93        ftp://xraysoft.chem.uu.nl/pub/),
94         CrystalMaker)
95
96<LI> Support dummy histograms in EXCLEDT
97
98</UL><h4>
99Low
100Priority</h4><UL>
101
102<LI> "save as" for DISAGL output
103
104<LI> instrument parameter file editor
105
106<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
107        from another .EXP file
108
109<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
110
111<LI> log/graph parameters vs cycle
112
113<LI> "wizard" that would lead new users through the steps of
114        setting up a refinement. This may be hard to do well, but ideas
115        are solicited.
116
117
118</UL><h4>
119Not Planned
120</h4><UL>
121
122<LI> Shelx style disagl output
123
124<LI> point & click GUI-Forplot
125
126<LI> save plot as metafile
127
128</UL>
129<hr>
130</DL>
131
132<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
133Additional features added to EXPGUI since mid-2000 are listed here,
134with an approximate date the features were added and the EXPGUI version
135where the feature was added. This list includes only the major changes.
136For a complete list of all changes for the source files
137see <A HREF="revlog.html">the EXPGUI Revision log</A>
138<P>
139
140<DT>Import coordinates from EXP files<DD>
141A .EXP or .Oxx file is selected (as well as a phase,
142if more than one is present) and the coordinates are imported into
143the current experiment file.
144(10/2001, 1.48)
145
146<DT>Dummy Histograms<DD>
147Dummy histograms are used to simulate powder diffraction patterns.
148It is now possible to set them up in EXPEDT using the "add histogram"
149button.
150(9/2001, 1.47)
151
152<DT>
153Histogram flags
154<DD>
155The use/do not use flag for histograms can now be set using a button
156on the histogram pane.
157(9/2001, 1.47)
158
159<DT>
160Excluded region/Data limits editor
161<DD>
162This allows the range of data to be included in the refinement
163to be selected graphically.
164(9/2001, 1.46)
165
166<DT>
167Adjustable screen font selection
168<DD>
169Font size can now be selected from a menu. Convenient, as well as
170perhaps improving on utility for folks with visual disabilities.
171The customization discussion in expgui_cfg.html
172now tells how to do override the default families & relative sizes.
173(9/2001, 1.46)
174
175<DT>
176Add Marquardt damping, LeBail damping to GUI
177<DD>
178These parameters are on "LS Controls" pane, along with
179the convergence parameter. The <a HREF="expgui1.html">documentation for this
180pane</A>
181has also been expanded
182to better explain what these options do. (7/2001, 1.44)
183
184<DT>
185Fixed background points (BKGEDIT)
186<DD>
187Fits a Chebeshev polynomial to a set of fixed points input by a user.
188If need be (not recommended, though) the background points
189can be input to GSAS as fixed background values. (7/2001, 1.44)
190<DT>
191"doc-less" install
192<DD>
193Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
194local system (6/2001, 1.43)
195
196<DT>
197Load archived files (Unix only)
198<DD>
199A convenient way to load archived versions of the .EXP file has been
200added to the EXPNAM command (4/2001, 1.42).
201
202<DT>
203Sort atoms to be added
204<DD>
205A convenient way to sort the atom list (4/2001, 1.42).
206
207<DT>
208WWW links
209<DD>
210Implemented context-sensitive help that brings up web pages
211from local storage. (10/2000, 1.38)
212
213<DT>
214Error reporting
215<DD>
216When an invalid entry is specified, (for example 1..0 is typed, instead
217of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
218flag the error. This only happens for entries on the main panes. For
219entries on modal dialogs (where there a "done" or "keep" button), these
220errors will be reported only when the button is pressed. (10/2000, 1.38)
221
222<DT>
223Import Atoms/Import Phase
224<DD>
225A CIF import routine is now available. (10/2000, 1.38)
226
227<DT>
228"Non-shell" version of EXPGUI
229<DD>
230EXPGUI has two functions, 1) to act as a "shell" that calls the
231various GSAS programs, and 2) to edit the .EXP file. For use with
232MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
233to turn off the "shell" features -- by calling EXPGUI with the argument
234-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
235This mode has not yet been tested. (10/2000, 1.36)
236
237<DT>
238NIST accessibility requirement
239<DD>
240NIST requires that all images in WWW pages have an ALT= tag included.
241This has been done on all the documentation HTML pages, despite the
242fact that (in this case) it adds no new content for anyone.
243
244<DT>
245Change space group/Import from file
246<DD>
247A mechanism where one can specify a new space group, cell,
248and reinput all atoms for the phase (to get site syms correct). One can
249keep the old atoms for the phase or replace them. It is possible
250to do this manually or with a file import capability.
251At present the only file type accepted is
252the .CEL format from PowderCell. New format filters can be "dropped" in
253place. (8/2000, 1.33)
254
255<DT>
256Import Atoms/Import Phase
257<DD>
258This appears on the add atoms & add phase dialogs and draws on the above.
259(8/2000, 1.33)
260
261<DT>
262Transform Atoms
263<DD>
264There is now a "xform atom(s)" button on the phase pane that
265can be used to transform coordinates,
266globally set the occupancy & Uiso and switch atoms between
267iso/aniso and erase selected groups of atoms
268(8/2000, 1.31)
269
270<DT>
271Delete phases
272<DD>
273Work around -- change phase flags on the histogram page (appears when 2+ phases
274present).
275(8/2000, 1.31)
276
277<DT>
278Spherical Harmonic (ODF) Preferred Orientation
279<DD>
280done
281(7/2000, 1.29)
282
283<DT>
284Define background types
285<DD>
286The pull-down background selection menu now shows the names of the
287background functions (7/2000, 1.29)
288
289
290</DL>
291<hr>
292<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
293<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
294</TH></TR></TABLE>
295<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
296<br>
297$Revision: 455 $ $Date: 2009-12-04 23:06:27 +0000 (Fri, 04 Dec 2009) $
298</body>
299</html>
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