source: trunk/doc/wishlist.html @ 407

Last change on this file since 407 was 407, checked in by toby, 11 years ago

# on 2001/08/24 18:56:30, toby did:
updated

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/08/24 18:56:30
  • Property rcs:lines set to +150 -58
  • Property rcs:rev set to 1.13
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.2 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>Planned</H2><DL>
39<DT>
40finalplot
41<DD>
42FINALPLOT is the program I use for
43publication-quality "Rietveld plot" graphics.
44Not yet ready for "prime time" -- fixup for distribution.
45
46<DT>
47"save as" for DISAGL output
48<DD>
49Rather than only saving as .DIS have a button to bring
50up a "save as" box.
51
52<DT>
53Excluded region editor
54<DD>
55This would make most sense to do graphically, somehow
56involving liveplot.
57
58<DT>
59Import coordinates from a different .EXP file
60<DD>
61This can be done using GSAS2CIF and then import from CIF, but
62perhaps I can create a more simple way to do this.
63
64<DT>
65Redo screen font selection and customization
66<DD>
67Larger fonts improve the appearance with only a minor
68cost in size. The customization discussion in expgui_cfg.html
69now shows how to do this, but it could be made quite a bit cleaner.
70
71</DL>
72<H2>To be considered</H2><DL>
73<DT>
74A CIF data import filter
75<DD>
76This will require some attention to creating/editing
77instrument parameter files,
78as well as choosing data from the "right" loop_.
79
80<DT>
81Export to Platon
82<DD>
83The platon viewer runs in UNIX and Windows
84(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
85export in the correct format and perhaps even fork the viewer.
86Recommended by Lachlan Cranswick.
87Original URL: http://www.cryst.chem.uu.nl/platon/ & 
88source: ftp://xraysoft.chem.uu.nl/pub/
89
90<DT>
91Interface for Fourier routines
92<DD>
93Perhaps with two parts: map compute set up options and viewing options.
94
95<DT>
96Guide for new users
97<DD>
98Lachlan suggests a "Wizard" but perhaps a set of introductory
99web pages might be more tractable.
100
101</DL>
102<hr>
103<H2>Requested EXPGUI improvements</H2><DL>
104The suggested improvements obtained from EXPGUI users are listed here.
105(Note that some are also listed above). Prioritization is mine, with
106some external input.
107Additional suggestions and input on priorities is welcome, send it to
108<a href="mailto:brian.toby@nist.gov?subject=EXPGUI suggestions">Brian.Toby@NIST.GOV</a>
109<H4>
110Highest
111Priority</h4><UL>
112
113<LI> graphical excluded region editing
114
115<LI> Fixed background editor; fit a Chebeschev polynomial to
116        selected background points
117<font color=red>(done)</font>
118
119<LI> import coordinates from EXP file
120
121<LI> Liveplot: look for a valid histogram on startup
122<font color=red>(done)</font>
123
124<LI> support new refinement control options (convergence...)
125<font color=red>(done)</font>
126
127<LI> support histogram flags
128
129</UL><h4>
130Medium
131Priority</h4><UL>
132
133<LI> Add GUI support for bond-distance soft constraints
134
135<LI> "finalplot" program for publication-quality output
136
137<LI> Import diffraction data from CIFs (& revisit CIF exporting)
138
139<LI> Fourier Transform interface
140
141<LI> Rework coordinate export interface, support more formats
142        (example Platon, CrystalMaker)
143
144</UL><h4>
145Low
146Priority</h4><UL>
147
148<LI> "wizard" that would lead new users through the steps of
149        setting up a refinement.
150
151<LI> instrument parameter file editor
152
153<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
154        from another .EXP file
155
156<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
157
158<LI> log/graph parameters vs cycle
159
160</UL><h4>
161Not Planned
162</h4><UL>
163
164<LI> Shelx style disagl output
165
166<LI> point & click GUI-Forplot
167
168<LI> save plot as metafile
169
170</UL>
171<hr>
172</DL>
173
174<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
175Additional features added to EXPGUI in the last year or so are listed here,
176with an approximate date the features were added and the EXPGUI version
177where the feature was added. This list is far from complete.
178For a complete list of all changes for the source files
179see <A HREF="revlog.html">the EXPGUI Revision log</A>
180<P>
181<DT>
182Add Marquardt damping, LeBail damping to GUI
183<DD>
184These parameters are on "LS Controls" pane, along with
185the convergence parameter. The <a HREF="expgui1.html">documentation for this
186pane</A>
187has also been expanded
188to better explain what these options do. (7/01, 1.44)
189
190<DT>
191Fixed background points (BKGEDIT)
192<DD>
193Fits a Chebeshev polynomial to a set of fixed points input by a user.
194If need be (not recommended, though) the background points
195can be input to GSAS as fixed background values. (7/01, 1.44)
196<DT>
197"doc-less" install
198<DD>
199Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
200local system (6/01, 1.43)
201
202<DT>
203Load archived files (Unix only)
204<DD>
205A convenient way to load archived versions of the .EXP file has been
206added to the EXPNAM command (4/01, 1.42).
207
208<DT>
209Sort atoms to be added
210<DD>
211A convenient way to sort the atom list (4/01, 1.42).
212
213<DT>
214WWW links
215<DD>
216Implemented context-sensitive help that brings up web pages
217from local storage. (10/00, 1.38)
218
219<DT>
220Error reporting
221<DD>
222When an invalid entry is specified, (for example 1..0 is typed, instead
223of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
224flag the error. This only happens for entries on the main panes. For
225entries on modal dialogs (where there a "done" or "keep" button), these
226errors will be reported only when the button is pressed. (10/00, 1.38)
227
228<DT>
229Import Atoms/Import Phase
230<DD>
231A CIF import routine is now available. (10/00, 1.38)
232
233<DT>
234"Non-shell" version of EXPGUI
235<DD>
236EXPGUI has two functions, 1) to act as a "shell" that calls the
237various GSAS programs, and 2) to edit the .EXP file. For use with
238MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
239to turn off the "shell" features -- by calling EXPGUI with the argument
240-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
241This mode has not yet been tested. (10/00, 1.36)
242
243<DT>
244NIST accessibility requirement
245<DD>
246NIST requires that all images in WWW pages have an ALT= tag included.
247This has been done on all the documentation HTML pages, despite the
248fact that (in this case) it adds no new content for anyone.
249
250<DT>
251Change space group/Import from file
252<DD>
253A mechanism where one can specify a new space group, cell,
254and reinput all atoms for the phase (to get site syms correct). One can
255keep the old atoms for the phase or replace them. It is possible
256to do this manually or with a file import capability.
257At present the only file type accepted is
258the .CEL format from PowderCell. New format filters can be "dropped" in
259place. (8/00, 1.33)
260
261<DT>
262Import Atoms/Import Phase
263<DD>
264This appears on the add atoms & add phase dialogs and draws on the above.
265(8/00, 1.33)
266
267<DT>
268Transform Atoms
269<DD>
270There is now a "xform atom(s)" button on the phase pane that
271can be used to transform coordinates,
272globally set the occupancy & Uiso and switch atoms between
273iso/aniso and erase selected groups of atoms
274(8/00, 1.31)
275
276<DT>
277Delete phases
278<DD>
279Work around -- change phase flags on the histogram page (appears when 2+ phases
280present).
281(8/00, 1.31)
282
283<DT>
284Spherical Harmonic (ODF) Preferred Orientation
285<DD>
286done
287(7/00, 1.29)
288
289<DT>
290Define background types
291<DD>
292The pull-down background selection menu now shows the names of the
293background functions (7/00, 1.29)
294
295
296</DL>
297<hr>
298<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
299<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
300</TH></TR></TABLE>
301<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
302<br>
303$Revision: 407 $ $Date: 2009-12-04 23:05:39 +0000 (Fri, 04 Dec 2009) $
304</body>
305</html>
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