Changeset 4661 for trunk/GSASIIobj.py


Ignore:
Timestamp:
Nov 27, 2020 8:48:26 PM (12 months ago)
Author:
toby
Message:

update CIF export: add rigid body, fix bug in single xtal ref tbl; picker bug on single xtal plot

File:
1 edited

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  • trunk/GSASIIobj.py

    r4659 r4661  
    18501850        'DebyeU' : 'Debye model Uiso',
    18511851        'RBV.*' : 'Vector rigid body parameter',
    1852         'RBR.*' : 'Residue rigid body parameter',
    18531852        'RBRO([aijk])' : 'Residue rigid body orientation parameter',
    18541853        'RBRP([xyz])' : 'Residue rigid body position parameter',
    18551854        'RBRTr;.*' : 'Residue rigid body torsion parameter',
    18561855        'RBR([TLS])([123AB][123AB])' : 'Residue rigid body group disp. param.',
     1856        'RBRU' : 'Residue rigid body group Uiso param.',
    18571857        'constr([0-9]*)' : 'Parameter from constraint',
    18581858        # supersymmetry parameters  p::<var>:a:o 'Flen','Fcent'?
     
    19001900        'PkSig': 'Bragg peak sigma',
    19011901        'PkGam': 'Bragg peak gamma',
    1902         'e([12][12])' : 'strain tensor e\1',   # strain vars e11, e22, e12
     1902        'e([12][12])' : 'strain tensor e\\1',   # strain vars e11, e22, e12
    19031903        'Dcalc': 'Calc. d-spacing',
    19041904        'Back$': 'background parameter',
     
    19121912        'dif[ABC]':'TOF to d-space calibration',
    19131913        'C\\([0-9]*,[0-9]*\\)' : 'spherical harmonics preferred orientation coef.',
     1914        'Pressure': 'Pressure level for measurement in MPa',
     1915        'Temperature': 'T value for measurement, K',
     1916        'FreePrm([123])': 'User defined measurement parameter \\1',
     1917        'Gonio. radius': 'Distance from sample to detector, mm',
    19141918        }.items():
     1919        # Needs documentation: HAP: LayerDisp, LeBail, newLeBail
     1920        # hist: Azimuth, Chi, Omega, Phi, Bank, nDebye, nPeaks
     1921       
    19151922        if len(value) == 2:
    19161923            #VarDesc[key] = value[0]
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