source: trunk/doc/wishlist.html @ 453

Last change on this file since 453 was 438, checked in by toby, 12 years ago

# on 2001/09/25 23:15:31, toby did:
update and shorten

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/09/25 23:15:31
  • Property rcs:lines set to +47 -69
  • Property rcs:rev set to 1.15
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.0 KB
Line 
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 & from .xtl files
55
56<LI> support the new archived .EXP files (.Oxx)
57
58<LI> Liveplot: look for a valid histogram on startup
59<font color=red>(done)</font>
60
61<LI> support new refinement control options (convergence...)
62<font color=red>(done)</font>
63
64<LI> support histogram flags
65<font color=red>(done)</font>
66
67</UL><h4>
68Medium
69Priority</h4><UL>
70
71<LI> Add GUI support for bond-distance soft constraints
72[a major project]
73
74<LI> Support dummy histograms for powder simulations
75<font color=red>(done)</font>
76
77<LI> "finalplot" program for publication-quality output
78
79<LI> Import diffraction data from CIFs (& revisit CIF exporting)
80[a major project]
81
82<LI> Fourier Transform interface,
83perhaps with two parts: set up options for map computing and at some
84point later think about map viewing options.
85
86
87<LI> Rework coordinate export interface, support more formats
88        [examples: Platon (http://www.ccp14.ac.uk/tutorial/platon,
89        http://www.cryst.chem.uu.nl/platon/,
90        ftp://xraysoft.chem.uu.nl/pub/),
91         CrystalMaker)
92
93<LI> Support dummy histograms in EXCLEDT
94
95</UL><h4>
96Low
97Priority</h4><UL>
98
99<LI> "save as" for DISAGL output
100
101<LI> instrument parameter file editor
102
103<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
104        from another .EXP file
105
106<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
107
108<LI> log/graph parameters vs cycle
109
110<LI> "wizard" that would lead new users through the steps of
111        setting up a refinement. This may be hard to do well, but ideas
112        are solicited.
113
114
115</UL><h4>
116Not Planned
117</h4><UL>
118
119<LI> Shelx style disagl output
120
121<LI> point & click GUI-Forplot
122
123<LI> save plot as metafile
124
125</UL>
126<hr>
127</DL>
128
129<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
130Additional features added to EXPGUI since mid-2000 are listed here,
131with an approximate date the features were added and the EXPGUI version
132where the feature was added. This list includes only the major changes.
133For a complete list of all changes for the source files
134see <A HREF="revlog.html">the EXPGUI Revision log</A>
135<P>
136
137<DT>Dummy Histograms<DD>
138Dummy histograms are used to simulate powder diffraction patterns.
139It is now possible to set them up in EXPEDT using the "add histogram"
140button.
141(9/01, 1.48)
142
143<DT>
144Histogram flags
145<DD>
146The use/do not use flag for histograms can now be set using a button
147on the histogram pane.
148(9/01, 1.48)
149
150<DT>
151Excluded region/Data limits editor
152<DD>
153This allows the range of data to be included in the refinement
154to be selected graphically.
155(9/01, 1.46)
156
157<DT>
158Adjustable screen font selection
159<DD>
160Font size can now be selected from a menu. Convenient, as well as
161perhaps improving on utility for folks with visual disabilities.
162The customization discussion in expgui_cfg.html
163now tells how to do override the default families & relative sizes.
164(9/01, 1.46)
165
166<DT>
167Add Marquardt damping, LeBail damping to GUI
168<DD>
169These parameters are on "LS Controls" pane, along with
170the convergence parameter. The <a HREF="expgui1.html">documentation for this
171pane</A>
172has also been expanded
173to better explain what these options do. (7/01, 1.44)
174
175<DT>
176Fixed background points (BKGEDIT)
177<DD>
178Fits a Chebeshev polynomial to a set of fixed points input by a user.
179If need be (not recommended, though) the background points
180can be input to GSAS as fixed background values. (7/01, 1.44)
181<DT>
182"doc-less" install
183<DD>
184Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
185local system (6/01, 1.43)
186
187<DT>
188Load archived files (Unix only)
189<DD>
190A convenient way to load archived versions of the .EXP file has been
191added to the EXPNAM command (4/01, 1.42).
192
193<DT>
194Sort atoms to be added
195<DD>
196A convenient way to sort the atom list (4/01, 1.42).
197
198<DT>
199WWW links
200<DD>
201Implemented context-sensitive help that brings up web pages
202from local storage. (10/00, 1.38)
203
204<DT>
205Error reporting
206<DD>
207When an invalid entry is specified, (for example 1..0 is typed, instead
208of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
209flag the error. This only happens for entries on the main panes. For
210entries on modal dialogs (where there a "done" or "keep" button), these
211errors will be reported only when the button is pressed. (10/00, 1.38)
212
213<DT>
214Import Atoms/Import Phase
215<DD>
216A CIF import routine is now available. (10/00, 1.38)
217
218<DT>
219"Non-shell" version of EXPGUI
220<DD>
221EXPGUI has two functions, 1) to act as a "shell" that calls the
222various GSAS programs, and 2) to edit the .EXP file. For use with
223MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
224to turn off the "shell" features -- by calling EXPGUI with the argument
225-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
226This mode has not yet been tested. (10/00, 1.36)
227
228<DT>
229NIST accessibility requirement
230<DD>
231NIST requires that all images in WWW pages have an ALT= tag included.
232This has been done on all the documentation HTML pages, despite the
233fact that (in this case) it adds no new content for anyone.
234
235<DT>
236Change space group/Import from file
237<DD>
238A mechanism where one can specify a new space group, cell,
239and reinput all atoms for the phase (to get site syms correct). One can
240keep the old atoms for the phase or replace them. It is possible
241to do this manually or with a file import capability.
242At present the only file type accepted is
243the .CEL format from PowderCell. New format filters can be "dropped" in
244place. (8/00, 1.33)
245
246<DT>
247Import Atoms/Import Phase
248<DD>
249This appears on the add atoms & add phase dialogs and draws on the above.
250(8/00, 1.33)
251
252<DT>
253Transform Atoms
254<DD>
255There is now a "xform atom(s)" button on the phase pane that
256can be used to transform coordinates,
257globally set the occupancy & Uiso and switch atoms between
258iso/aniso and erase selected groups of atoms
259(8/00, 1.31)
260
261<DT>
262Delete phases
263<DD>
264Work around -- change phase flags on the histogram page (appears when 2+ phases
265present).
266(8/00, 1.31)
267
268<DT>
269Spherical Harmonic (ODF) Preferred Orientation
270<DD>
271done
272(7/00, 1.29)
273
274<DT>
275Define background types
276<DD>
277The pull-down background selection menu now shows the names of the
278background functions (7/00, 1.29)
279
280
281</DL>
282<hr>
283<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
284<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
285</TH></TR></TABLE>
286<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
287<br>
288$Revision: 438 $ $Date: 2009-12-04 23:06:10 +0000 (Fri, 04 Dec 2009) $
289</body>
290</html>
Note: See TracBrowser for help on using the repository browser.