1 | # $Id: gsasmenu.tcl 1221 2012-09-21 22:56:33Z toby $ |
---|
2 | # $Revision: 1221 $ $Date: 2012-09-21 22:56:33 +0000 (Fri, 21 Sep 2012) $ |
---|
3 | # menu information for GSAS programs |
---|
4 | |
---|
5 | # menu items to be created (N.B. File, Options & Help already exist) |
---|
6 | set expgui(menunames) {Powder Xtal Graphs Results Calc Macro Import/Export} |
---|
7 | |
---|
8 | # contents of each menu |
---|
9 | array set expgui_menulist { |
---|
10 | file { |
---|
11 | revert |
---|
12 | EraseHistory |
---|
13 | convert |
---|
14 | dlst |
---|
15 | } |
---|
16 | option { |
---|
17 | {liveplot_options} |
---|
18 | } |
---|
19 | powder { |
---|
20 | expedt |
---|
21 | powpref |
---|
22 | genles |
---|
23 | powplot |
---|
24 | rawplot |
---|
25 | fitspec |
---|
26 | bkgedit |
---|
27 | excledt |
---|
28 | seqgsas |
---|
29 | mustrplot |
---|
30 | instedit |
---|
31 | } |
---|
32 | xtal { |
---|
33 | expedt |
---|
34 | genles |
---|
35 | cad4rd |
---|
36 | p3r3data |
---|
37 | sxtldata |
---|
38 | scabs |
---|
39 | scmerge |
---|
40 | } |
---|
41 | graphs { |
---|
42 | forsrh |
---|
43 | forplot |
---|
44 | polfplot |
---|
45 | powplot |
---|
46 | ortep |
---|
47 | rawplot |
---|
48 | gsas2map |
---|
49 | liveplot |
---|
50 | vrstplot |
---|
51 | widplt |
---|
52 | absplt |
---|
53 | seqplot |
---|
54 | mustrplot |
---|
55 | } |
---|
56 | calc { |
---|
57 | cllchg |
---|
58 | composition |
---|
59 | hklgen |
---|
60 | rducll |
---|
61 | spcgroup |
---|
62 | seqgsas |
---|
63 | seqplot |
---|
64 | unimol |
---|
65 | } |
---|
66 | import/export { |
---|
67 | hklsort |
---|
68 | pubtable |
---|
69 | convert |
---|
70 | cad4rd |
---|
71 | dbwscnv |
---|
72 | x17bcnv |
---|
73 | p3r3data |
---|
74 | sxtldata |
---|
75 | gsas2pdb |
---|
76 | ref2asc |
---|
77 | ref2bin |
---|
78 | gsas2map |
---|
79 | } |
---|
80 | results { |
---|
81 | bijcalc |
---|
82 | disagl |
---|
83 | disaglviewer |
---|
84 | reflist |
---|
85 | geometry |
---|
86 | hstdmp |
---|
87 | istats |
---|
88 | rcalc |
---|
89 | composition |
---|
90 | lstview |
---|
91 | ramafit |
---|
92 | seqplot |
---|
93 | } |
---|
94 | } |
---|
95 | |
---|
96 | array set expgui_cmdlist { |
---|
97 | |
---|
98 | Save {- { |
---|
99 | Saves modifications to the current experiment file to disk} |
---|
100 | } |
---|
101 | |
---|
102 | {Save As} {- { |
---|
103 | Saves modifications to the current experiment file to disk |
---|
104 | under a new file name } |
---|
105 | } |
---|
106 | |
---|
107 | {Reread .EXP file} {- { |
---|
108 | Reread the last saved version of the experiment file from disk. |
---|
109 | |
---|
110 | This causes any unsaved changes to be lost.} |
---|
111 | } |
---|
112 | |
---|
113 | {Sort atoms by} {- { |
---|
114 | Determines the order that atoms are displayed on the "Phase" page |
---|
115 | Atoms may be displayed sorted by atom number, atom type, |
---|
116 | or by x, y or z} |
---|
117 | } |
---|
118 | |
---|
119 | {Sort histograms by} {- { |
---|
120 | Determines the order that histograms are displayed on the |
---|
121 | Histogram, Scaling and Profile pages |
---|
122 | |
---|
123 | Histograms may be sorted by histogram number, histogram type, |
---|
124 | original bank number, or diffraction angle/wavelength} |
---|
125 | } |
---|
126 | |
---|
127 | {Multiple hist. selection} {- { |
---|
128 | When this mode is off, it is possible to modify parameters |
---|
129 | and refinement flags for only a single histogram. For other settings, |
---|
130 | it is possible to modify parameters and flags for groups of |
---|
131 | histograms (see help for Mouse actions). |
---|
132 | |
---|
133 | It does not make sense, however, to globally modify |
---|
134 | instrument-related parameters and flags for histograms of different |
---|
135 | types (e.g. TOF, CW Neutron,...). So if all histogram types can |
---|
136 | be selected, the Histogram and Profile pages are disabled. If the |
---|
137 | multiple histogram selection is set to TOF, CW Neutron,... |
---|
138 | it is possible to modify Histogram and Profile parameters for |
---|
139 | groups of similar type histograms. |
---|
140 | |
---|
141 | Note that profile terms may also be grouped together when more than |
---|
142 | one phase has the same profile function, or may not be grouped |
---|
143 | together, depending on the "Group Phases Together" option.} |
---|
144 | } |
---|
145 | |
---|
146 | {Mouse actions} {- { |
---|
147 | A range of atoms or (in multiple selection mode) histograms may be |
---|
148 | selected by dragging (holding down) the left mouse button. It is also |
---|
149 | possible to select a range by using the Shift key with the |
---|
150 | left mouse button. To select or deselect individual entries, use the |
---|
151 | Control key with the left mouse button. The right mouse button selects |
---|
152 | all entries.} |
---|
153 | } |
---|
154 | |
---|
155 | expnam {readnewexp { |
---|
156 | Select an existing or new GSAS experiment to be used} |
---|
157 | } |
---|
158 | |
---|
159 | revert {{readnewexp archive} { |
---|
160 | Select an old version of the current GSAS file} |
---|
161 | } |
---|
162 | |
---|
163 | {archive EXP} {- { |
---|
164 | Toggles archiving of .EXP files. When on, files are |
---|
165 | saved prior to each save or run of expedt in a file named |
---|
166 | |
---|
167 | <expnam>.Oxx where xx = 01, 02... FF} |
---|
168 | } |
---|
169 | |
---|
170 | showhelp {showhelp { |
---|
171 | Show the help information for commands and actions} |
---|
172 | } |
---|
173 | |
---|
174 | powpref {{runGSASwEXP $cmd} { |
---|
175 | Powder data preparation} |
---|
176 | {-underline 0} |
---|
177 | } |
---|
178 | |
---|
179 | bijcalc {{runGSASwEXP $cmd} { |
---|
180 | Thermal parameter analysis} |
---|
181 | } |
---|
182 | |
---|
183 | powplot {{runGSASwEXP $cmd 1} { |
---|
184 | Display powder patterns} |
---|
185 | } |
---|
186 | |
---|
187 | cllchg {{runGSASwEXP $cmd} { |
---|
188 | Transform unit cell} |
---|
189 | } |
---|
190 | |
---|
191 | expedt {{runGSASwEXP $cmd} { |
---|
192 | Run GSAS experiment editor} |
---|
193 | {-underline 0} |
---|
194 | } |
---|
195 | |
---|
196 | genles {{runGSASwEXP $cmd} { |
---|
197 | Run General Least Squares program} |
---|
198 | {-underline 0} |
---|
199 | } |
---|
200 | |
---|
201 | disagl {rundisagl { |
---|
202 | Distance/angle calculations} |
---|
203 | } |
---|
204 | |
---|
205 | disaglviewer {Geo_Viewer { |
---|
206 | Show distances and angles in a nice format} |
---|
207 | } |
---|
208 | |
---|
209 | forplot {{runGSASwEXP $cmd} { |
---|
210 | Display Fourier maps (set Fourier options in EXPEDT |
---|
211 | and then compute with FOURIER)} |
---|
212 | } |
---|
213 | |
---|
214 | hstdmp {{runGSASwEXP $cmd} { |
---|
215 | List powder histogram data} |
---|
216 | } |
---|
217 | |
---|
218 | cad4rd {{runGSASwEXP $cmd} { |
---|
219 | Prepare CAD4 single crystal data} |
---|
220 | } |
---|
221 | |
---|
222 | fourier {{runGSASwEXP $cmd} { |
---|
223 | Generate Fourier map} |
---|
224 | } |
---|
225 | |
---|
226 | gsas2map {{runGSASwEXP $cmd} { |
---|
227 | Export GSAS Fourier maps in other formats} |
---|
228 | } |
---|
229 | |
---|
230 | geometry {{runGSASwEXP $cmd} { |
---|
231 | Molecular geometry calculations} |
---|
232 | } |
---|
233 | |
---|
234 | ortep {{runGSASwEXP $cmd} { |
---|
235 | Draw crystal structure} |
---|
236 | } |
---|
237 | |
---|
238 | rawplot {{runGSASprog $cmd} { |
---|
239 | Plot powder data} |
---|
240 | } |
---|
241 | |
---|
242 | |
---|
243 | p3r3data {{runGSASwEXP $cmd} { |
---|
244 | Prepare Siemens/Brucker P3R3 single crystal data} |
---|
245 | } |
---|
246 | |
---|
247 | forsrh {{runGSASwEXP $cmd} { |
---|
248 | Search Fourier map for peaks} |
---|
249 | } |
---|
250 | |
---|
251 | hklsort {{runGSASwEXP $cmd} { |
---|
252 | Prepare HKL tables} |
---|
253 | } |
---|
254 | |
---|
255 | polfplot {{runGSASwEXP $cmd} { |
---|
256 | Display polefigures} |
---|
257 | } |
---|
258 | |
---|
259 | rducll {{runGSASprog $cmd} { |
---|
260 | Unit cell reduction} |
---|
261 | } |
---|
262 | |
---|
263 | sxtldata {{runGSASwEXP $cmd} { |
---|
264 | Prepare generic single crystal data} |
---|
265 | } |
---|
266 | |
---|
267 | scabs {{runGSASwEXP $cmd} { |
---|
268 | Single crystal absorption} |
---|
269 | } |
---|
270 | |
---|
271 | istats {{runGSASwEXP $cmd} { |
---|
272 | HKL Intensity statistics} |
---|
273 | } |
---|
274 | |
---|
275 | reflist {{runGSASwEXP $cmd} { |
---|
276 | List reflection data} |
---|
277 | } |
---|
278 | |
---|
279 | scmerge {{runGSASwEXP $cmd} { |
---|
280 | Sort and merge single crystal data} |
---|
281 | } |
---|
282 | |
---|
283 | pubtable {{runGSASwEXP $cmd} { |
---|
284 | Prepare atom parameter tables} |
---|
285 | } |
---|
286 | |
---|
287 | spcgroup {{runGSASprog $cmd} { |
---|
288 | Space group symbol interpreter} |
---|
289 | } |
---|
290 | |
---|
291 | rcalc {{runGSASwEXP $cmd} { |
---|
292 | Compute reflection resuduals} |
---|
293 | } |
---|
294 | |
---|
295 | unimol {{runGSASwEXP $cmd} { |
---|
296 | Unique molecule assembler} |
---|
297 | } |
---|
298 | |
---|
299 | gsas2cif {{runGSASwEXP $cmd} { |
---|
300 | Prepare IUCr crystallographic information (CIF) file} |
---|
301 | } |
---|
302 | |
---|
303 | vrstplot {{runGSASwEXP $cmd} { |
---|
304 | Create a "virtual reality" (.wrl) plot file} |
---|
305 | } |
---|
306 | |
---|
307 | fitspec {{runGSASprog $cmd} { |
---|
308 | Fit a TOF vanadium scattering spectrum} |
---|
309 | } |
---|
310 | |
---|
311 | dbwscnv {{runGSASprog $cmd} { |
---|
312 | Convert a powder diffraction data file from DBWS format} |
---|
313 | } |
---|
314 | |
---|
315 | x17bcnv {{runGSASprog $cmd} { |
---|
316 | Convert an energy dispersive diffractogram data file from NSLS X17b} |
---|
317 | } |
---|
318 | gsas2pdb {{runGSASprog $cmd} { |
---|
319 | Import (using GSAS2PDB & EXPEDT) and export coordinates (for |
---|
320 | macromolecular phases) to/from Protein Data Base files.} |
---|
321 | } |
---|
322 | ramafit {{runGSASprog $cmd} { |
---|
323 | Fits torsion angle distributions, particularly in peptide chains, |
---|
324 | for use in restraints.} |
---|
325 | } |
---|
326 | ref2asc {{runGSASprog $cmd} { |
---|
327 | Exports a GSAS reflection file to ASCII for use in non-GSAS programs} |
---|
328 | } |
---|
329 | ref2bin {{runGSASprog $cmd} { |
---|
330 | Imports an ASCII reflection file to the GSAS binary format.} |
---|
331 | } |
---|
332 | seqgsas {{runGSASwEXP $cmd} { |
---|
333 | Run a set of sequential GSAS refinements} |
---|
334 | } |
---|
335 | seqplot {{runGSASwEXP $cmd} { |
---|
336 | Plot results from set of sequential GSAS refinements} |
---|
337 | } |
---|
338 | mustrplot {{runGSASwEXP $cmd} { |
---|
339 | Create surface plot (display in GNUPLOT) showing effect of |
---|
340 | Stephens microstrain model} |
---|
341 | } |
---|
342 | |
---|
343 | composition {{composition} { |
---|
344 | Compute the unit cell and asymmetric unit contents for each phase |
---|
345 | taking occupancies and site multiplicities into account} |
---|
346 | } |
---|
347 | |
---|
348 | exp2xtl {{exp2xtl} { |
---|
349 | Save coordinates for a phase in an MSI xtl format file} |
---|
350 | } |
---|
351 | |
---|
352 | liveplot {{liveplot} { |
---|
353 | Create a plot of powder data (automatically updated) } |
---|
354 | } |
---|
355 | |
---|
356 | bkgedit {{bkgedit} { |
---|
357 | Fit background function to fixed background points} |
---|
358 | } |
---|
359 | excledt {{excledit} { |
---|
360 | Edit data limits and excluded data regions} |
---|
361 | } |
---|
362 | instedit {{EditInstFile} { |
---|
363 | Edit an instrument parameter file} |
---|
364 | } |
---|
365 | {New InstParm file} {- { |
---|
366 | Create a new instrument parameter file} |
---|
367 | } |
---|
368 | |
---|
369 | {liveplot_options} {liveplotopt { |
---|
370 | Used to set options for liveplot, for example, the |
---|
371 | histogram to be plotted} |
---|
372 | } |
---|
373 | |
---|
374 | convert {convfile { |
---|
375 | Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)} |
---|
376 | } |
---|
377 | |
---|
378 | lstview {lstview { |
---|
379 | Create a box with scrollbars containing the current .LST file} |
---|
380 | } |
---|
381 | |
---|
382 | widplt {widplt { |
---|
383 | Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file} |
---|
384 | } |
---|
385 | absplt {"widplt absplt" { |
---|
386 | Displays the intensity loss (1/Absorption Correction) Q, 2Theta,... for parameter values read from an EXP file} |
---|
387 | } |
---|
388 | |
---|
389 | "Override backspace" {- { |
---|
390 | This option is available in UNIX only, as there are different |
---|
391 | ways that backspace can be implemented. When option is set |
---|
392 | as "On," the backspace key is overridden to send a "delete" |
---|
393 | character. If backspace does not work in a program such as |
---|
394 | EXPEDT, change try the other setting for this option.} |
---|
395 | } |
---|
396 | SaveOptions {- { |
---|
397 | Save the current values for "Override backspace", |
---|
398 | "Sort atoms by", "Sort histograms by" and "archive EXP", etc. |
---|
399 | in ~/.gsas_config (c:\gsas.config)} |
---|
400 | } |
---|
401 | EraseHistory {DeleteHistoryRecords { |
---|
402 | Delete all but a selected number of history records; note that |
---|
403 | this speeds EXPGUI somewhat. Since the largest number for a |
---|
404 | history record is 999, the default is to also renumber the |
---|
405 | records starting with 1} |
---|
406 | } |
---|
407 | exit {- { |
---|
408 | Exit EXPGUI} |
---|
409 | } |
---|
410 | } |
---|
411 | |
---|
412 | # this defines the button bar contents |
---|
413 | set expgui(buttonlist) { |
---|
414 | expnam |
---|
415 | expedt |
---|
416 | genles |
---|
417 | powpref |
---|
418 | powplot |
---|
419 | lstview |
---|
420 | liveplot |
---|
421 | } |
---|