Changeset 4318
- Timestamp:
- Feb 17, 2020 2:03:30 PM (3 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
-
GSASIIobj.py (modified) (23 diffs)
-
GSASIIplot.py (modified) (1 diff)
-
docs/source/conf.py (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
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trunk/GSASIIobj.py
r4315 r4318 15 15 This module defines and/or documents the data structures used in GSAS-II, as well 16 16 as provides misc. support routines. 17 18 .. Next command allows \AA to be used in HTML 19 20 .. only:: html 21 22 html :math:`\\require{mediawiki-texvc}` 17 23 18 24 .. _Constraints_table: … … 168 174 interatomic distances 169 175 \ Cell (list with 8 items) cell refinement flag (bool) 170 a, b, c, ( Angstrom, float)176 a, b, c, (:math:`\\AA`, float) 171 177 alpha, beta & gamma (degrees, float) 172 volume (:math:` A^3`, float)178 volume (:math:`\AA^3`, float) 173 179 \ Color (list of (r,b,g) triplets) Colors for atoms 174 180 \ Compare (dict) Polygon comparison parameters … … 200 206 \ Pawley dmax (float) minimum Q (as d-space) to use for Pawley extraction 201 207 \ Pawley neg wt (float) Restraint value for negative Pawley intensities 202 \ SGData (object <SGData_table>`) Space group details as a :ref:`space group (SGData) 208 \ SGData (object <SGData_table>`) Space group details as a 209 :ref:`space group (SGData) <SGData_table>` 203 210 as defined in :func:`GSASIIspc.SpcGroup`. 204 211 \ SH Texture (dict) Spherical harmonic preferred orientation parameters … … 219 226 \ Plane (list) Controls for contour density plane display 220 227 \ Quaternion (4 element np.array) Viewing quaternion 221 \ Zclip (float) clipping distance in A228 \ Zclip (float) clipping distance in :math:`\\AA` 222 229 \ Zstep (float) Step to de/increase Z-clip 223 230 \ atomPtrs (list) positions of x, type, site sym, ADP flag in Draw Atoms … … 226 233 \ ballScale (float) Radius of spheres in ball-and-stick display 227 234 \ bondList (dict) Bonds 228 \ bondRadius (float) Radius of binds in A229 \ cameraPos (float) Viewing position in Afor plot230 \ contourLevel (float) map contour level in :math:`e/\\ unicode{x212B}^3`235 \ bondRadius (float) Radius of binds in :math:`\\AA` 236 \ cameraPos (float) Viewing position in :math:`\\AA` for plot 237 \ contourLevel (float) map contour level in :math:`e/\\AA^3` 231 238 \ contourMax (float) map contour maximum 232 239 \ depthFog (bool) True if use depthFog on plot - set currently as False … … 278 285 2. Refinement flags - list of 3 bools 279 286 3. Microstrain axis - list of 3 ints, [h, k, l] 280 4. Generalized mustrain parameters - list of 2-6 281 floats, depending on space group 282 5. Generalized refinement flags - list of bools, 283 corresponding to the parameters of (4) 287 4. Generalized mustrain parameters - list of 2-6 floats, depending on space group 288 5. Generalized refinement flags - list of bools, corresponding to the parameters of (4) 284 289 \ Pref.Ori. (list) Preferred Orientation. List of eight parameters. 285 290 Items marked SH are only used for Spherical Harmonics. … … 292 297 5. (dict) SH - 293 298 6. (list) SH 294 7. (float) SH 299 7. (float) SH 295 300 \ Scale (list of [float, bool]) Phase fraction & refine flag 296 301 \ Size List of crystallite size parameters, in order: 302 297 303 0. (str) Type, one of u'isotropic', u'uniaxial', u'ellipsoidal' 298 304 1. (list) Isotropic/uniaxial parameters - list of 3 floats … … 300 306 3. (list) Size axis - list of 3 ints, [h, k, l] 301 307 4. (list) Ellipsoidal size parameters - list of 6 floats 302 5. (list) Ellipsoidal refinement flags - list of bools, 303 corresponding to the parameters of (4) 308 5. (list) Ellipsoidal refinement flags - list of bools, corresponding to the parameters of (4) 304 309 \ Use (bool) True if this histogram is to be used in refinement 305 310 \ newLeBail (bool) Whether to perform a new LeBail extraction … … 329 334 \ AtInfo (dict) Drad, Color: atom drawing radius & color for each atom type 330 335 \ RBname (str) Name assigned by user to rigid body 331 \ VectMag (list) vector magnitudes in A336 \ VectMag (list) vector magnitudes in :math:`\\AA` 332 337 \ rbXYZ (list of 3 float Cartesian coordinates for Vector rigid body ) 333 338 \ rbRef (list of 3 int & 1 bool) 3 assigned reference atom nos. in rigid body for origin 334 339 definition, use center of atoms flag 335 340 \ VectRef (list of bool refinement flags for VectMag values ) 336 341 \ rbTypes (list of str) Atom types for each atom in rigid body … … 392 397 SGLaue (str) one of the following 14 Laue classes: 393 398 -1, 2/m, mmm, 4/m, 4/mmm, 3R, 394 399 3mR, 3, 3m1, 31m, 6/m, 6/mmm, m3, m3m 395 400 SGOps (list) symmetry operations as a list of form 396 401 ``[[M1,T1], [M2,T2],...]`` … … 544 549 .. tabularcolumns:: |p{1in}|p{1in}|p{4in}| 545 550 546 ====================== =============== ===========================================================547 key sub-key explanation548 ====================== =============== ===========================================================551 ====================== =============== =========================================================== 552 key sub-key explanation 553 ====================== =============== =========================================================== 549 554 Comments \ (list of str) Text strings extracted from the original powder 550 555 data header. These cannot be changed by the user; … … 621 626 4. the background values 622 627 5. Yobs-Ycalc 623 ====================== =============== ===========================================================628 ====================== =============== =========================================================== 624 629 625 630 .. _CWPowder_table: … … 640 645 Items not refined are noted as [*] 641 646 642 .. tabularcolumns:: | p{1in}|p{4in}|643 644 ====================== 645 key sub-keyexplanation646 ====================== 647 .. tabularcolumns:: |l|p{1in}|p{4in}| 648 649 ======================== =============== =========================================================== 650 key sub-key explanation 651 ======================== =============== =========================================================== 647 652 Instrument Parameters[0] Type [*] (str) Histogram type: 648 653 * 'PXC' for constant wavelength x-ray 649 654 * 'PNC' for constant wavelength neutron 650 655 \ Bank [*] (int) Data set number in a multidata file (usually 1) 651 \ Lam (float) Specifies a wavelength in :math:`\\ unicode{x212B}`656 \ Lam (float) Specifies a wavelength in :math:`\\AA` 652 657 \ Lam1 [*] (float) Specifies the primary wavelength in 653 :math:`\\ unicode{x212B}`, used in place of Lam658 :math:`\\AA`, used in place of Lam 654 659 when an :math:`\\alpha_1, \\alpha_2` 655 660 source is used. 656 661 \ Lam2 [*] (float) Specifies the secondary wavelength in 657 :math:`\\ unicode{x212B}`, used with Lam1662 :math:`\\AA`, used with Lam1 658 663 \ I(L2)/I(L1) (float) Ratio of Lam2 to Lam1, used with Lam1 659 664 \ Zero (float) Two-theta zero correction in *degrees* … … 671 676 \ Polariz. (float) Polarization coefficient. 672 677 Instrument Parameters[1] (empty dict) 673 ====================== ==========================================================================678 ======================== =============== =========================================================== 674 679 675 680 .. _TOFPowder_table: … … 690 695 Items not refined are noted as [*] 691 696 692 .. tabularcolumns:: | p{1.5in}|p{4in}|693 694 ====================== 695 key sub-keyexplanation696 ====================== 697 .. tabularcolumns:: |l|p{1.5in}|p{4in}| 698 699 ======================== =============== =========================================================== 700 key sub-key explanation 701 ======================== =============== =========================================================== 697 702 Instrument Parameters[0] Type [*] (str) Histogram type: 698 703 * 'PNT' for time of flight neutron … … 717 722 of d, alp, bet, d-true; for a reflection alpha & beta are obtained via interpolation 718 723 from the d-spacing and these tables. The d-true column is apparently unused. 719 720 ====================== =============== =========================================================== 724 ======================== =============== =========================================================== 725 721 726 722 727 .. _PowderRefl_table: … … 738 743 0,1,2 h,k,l (float) 739 744 3 (int) multiplicity 740 4 (float) d-space, :math:`\\ unicode{x212B}`745 4 (float) d-space, :math:`\\AA` 741 746 5 (float) pos, two-theta 742 747 6 (float) sig, Gaussian width … … 789 794 The first and second 790 795 values are floats unless otherwise noted. 791 \ Lam (two floats) Specifies a wavelength in :math:`\\ unicode{x212B}`796 \ Lam (two floats) Specifies a wavelength in :math:`\\AA` 792 797 \ Type (two str values) Histogram type : 793 798 * 'SXC' for constant wavelength x-ray … … 821 826 The columns in that array are documented below. 822 827 828 .. tabularcolumns:: |l|p{4in}| 829 823 830 ========== ==================================================== 824 831 index explanation … … 826 833 0,1,2 (float) h,k,l 827 834 3 (int) multiplicity 828 4 (float) d-space, :math:`\\ unicode{x212B}`835 4 (float) d-space, :math:`\\AA` 829 836 5 (float) :math:`F_{obs}^2` 830 837 6 (float) :math:`\sigma(F_{obs}^2)` … … 834 841 10 (float) reflection phase, in degrees 835 842 11 (float) intensity correction for reflection, this times 836 837 843 :math:`F_{obs}^2` or :math:`F_{calc}^2` 844 gives Iobs or Icalc 838 845 ========== ==================================================== 839 846 … … 931 938 \ type (str) One of 'PWDR', 'SASD' or 'REFL' for powder, small angle or reflectometry data, respectively. 932 939 \ tilt (float) The angle the detector normal makes with the incident beam; range -90 to 90. 933 \ wavelength (float) The radiation wavelength ( Angstrom) as entered by the user940 \ wavelength (float) The radiation wavelength (:math:`\\AA`) as entered by the user 934 941 (or someday obtained from the image header). 935 942 Masks Arcs (list: lists) Each entry [2-theta,[azimuth[0],azimuth[1]],thickness] describes an arc mask … … 2364 2371 2365 2372 * 'pixelSize': size of each pixel in microns (such as ``[200.,200.]``. 2366 * 'wavelength': wavelength in Angstrom.2373 * 'wavelength': wavelength in :math:`\\AA`. 2367 2374 * 'distance': distance of detector from sample in cm. 2368 2375 * 'center': uncalibrated center of beam on detector (such as ``[204.8,204.8]``. -
trunk/GSASIIplot.py
r4301 r4318 613 613 plotNum = self.plotList.index(label) 614 614 Page = self.nb.GetPage(plotNum) 615 #def OnKeyTest(event): print('OnKeyTest Up') 616 #Page.canvas.Bind(wx.EVT_KEY_UP, OnKeyTest) 617 def OnKeyTest(event): 618 #event.Skip() 619 print('OnKeyTest down') 620 Page.canvas.SetFocus() 621 wx.PostEvent(Page.canvas,event) 622 Page.canvas.Bind(wx.EVT_KEY_DOWN, OnKeyTest) 615 623 616 624 Page.plotInvalid = False # plot has just been drawn -
trunk/docs/source/conf.py
r4213 r4318 206 206 # Additional stuff for the LaTeX preamble. 207 207 #'preamble': '', 208 209 #this allows \AA to be used in equations 210 'preamble': '\\global\\renewcommand{\\AA}{\\text{\\r{A}}}', 208 211 } 209 212
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