Changeset 5104
- Timestamp:
- Nov 27, 2021 7:38:44 AM (2 years ago)
- Location:
- trunk
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
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trunk/GSASIImapvars.py
r5040 r5104 292 292 data tree. Function 293 293 :func:`GSASIIseqGUI.UpdateSeqResults` displays the sequential results 294 table 295 also processes constraints. 294 table also processes constraints. 296 295 297 296 TODO: Note that G2stIO.makeTwinFrConstr is called only in one place. It probably needs to be included in all of the above. -
trunk/GSASIImath.py
r5070 r5104 2137 2137 2138 2138 :returns: modeDict,posDict where modeDict contains pairs of mode values 2139 and mode s.u. values; posDict contains pairs of displacement values2140 and their s.u. values.2139 and mode s.u. values; posDict contains pairs of displacement values 2140 and their s.u. values. 2141 2141 ''' 2142 2142 ISO = Phase['ISODISTORT'] -
trunk/GSASIIobj.py
r5072 r5104 1131 1131 1132 1132 Three typical examples: 1133 1133 1134 1) Bragg-Brentano laboratory diffractometer: Chi=0 1134 1135 2) Debye-Scherrer counter detector; sample capillary axis perpendicular to diffraction plane: Chi=90 1135 1136 3) Debye-Scherrer 2D area detector positioned directly behind sample; sample capillary axis horizontal; Chi=0 1136 NB: The area detector azimuthal angle = 0 in horizontal plane to right as viewed from x-ray source & 90 at vertical "up" direction 1137 1138 NB: The area detector azimuthal angle will equal 0 in horizontal plane to right as viewed from x-ray source and will equal 1139 90 at vertical "up" direction. 1137 1140 1138 1141 ISODISTORT implementation … … 1142 1145 https://stokes.byu.edu/iso/isodistort_version5.6.1/isodistort.php 1143 1146 [B. J. Campbell, H. T. Stokes, D. E. Tanner, and D. M. Hatch, "ISODISPLACE: An Internet Tool for Exploring Structural Distortions." 1144 1147 J. Appl. Cryst. 39, 607-614 (2006).] can be read into GSAS-II using import CIF. This will cause constraints to be established for 1145 1148 structural distortion modes read from the CIF. At present, of the five types of modes only displacive(``_iso_displacivemode``...) 1146 1149 and occupancy (``_iso_occupancymode``...) are processed. Not yet processed: ``_iso_magneticmode``..., … … 1169 1172 corresponding :class:`GSASIIobj.G2VarObj` objects for each are placed in ``.Phase['ISODISTORT']['G2ModeList']``. 1170 1173 [Use ``str(G2VarObj)`` to get the variable name from the G2VarObj object, but note that the phase number, *n*, for the prefix 1171 1174 "*n*::" cannot be determined as the phase number is not yet assigned.] 1172 1175 1173 1176 Displacive modes are a bit complex in that they relate to delta displacements, relative to an offset value for each coordinate, … … 2429 2432 2430 2433 :returns: varname, explain, note, warnmsg (all str values) where: 2434 2431 2435 * varname is the parameter expressed as a string, 2432 2436 * explain is blank unless there is a warning explanation about -
trunk/GSASIIplot.py
r5102 r5104 504 504 :param str label: title of plot 505 505 :param str Type: determines the type of plot that will be opened. 506 506 507 'mpl' for 2D graphs in matplotlib 507 508 'ogl' for openGL 508 509 '3d' for 3D plotting in matplotlib 510 509 511 :param bool newImage: forces creation of a new graph for matplotlib 510 512 plots only (defaults as True) … … 513 515 which prevents use of this). 514 516 :returns: new,plotNum,Page,Plot,limits where 517 515 518 * new: will be True if the tab was just created 516 519 * plotNum: is the tab number
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