Changeset 3390 for trunk/GSASIIspc.py


Ignore:
Timestamp:
May 16, 2018 10:31:09 AM (4 years ago)
Author:
vondreele
Message:

fix issue with deleted phases in Restraints - they are now deleted from Restraints tree if selected
fix issue of a phase not used in any histogram - any set refine flags cause crash in refinement
now a phase is included in phase list if it is Used in any histogrsm - fixes to GetUsedHistogramsAndPhases? in G2strIO and GetUsedHistogramsAndPhasesfromTree? in G2dataGUI.
also some weird business in G2spc - had to swap two routines (SGProd & GetLittleGrpOps?) before debug in Spyder would load GSAS-II.

File:
1 edited

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  • trunk/GSASIIspc.py

    r3387 r3390  
    17271727        print (l)
    17281728       
     1729def SGProd(OpA,OpB):
     1730    '''
     1731    Form space group operator product. OpA & OpB are [M,V] pairs;
     1732        both must be of same dimension (3 or 4). Returns [M,V] pair
     1733    '''
     1734    A,U = OpA
     1735    B,V = OpB
     1736    M = np.inner(B,A.T)
     1737    W = np.inner(B,U)+V
     1738    return M,W
     1739       
    17291740def GetLittleGrpOps(SGData,vec):
    17301741    ''' Find rotation part of operators that leave vec unchanged
     
    17431754            Little.append([M,T])
    17441755    return Little
    1745        
    1746 def SGProd(OpA,OpB):
    1747     '''
    1748     Form space group operator product. OpA & OpB are [M,V] pairs;
    1749         both must be of same dimension (3 or 4). Returns [M,V] pair
    1750     '''
    1751     A,U = OpA
    1752     B,V = OpB
    1753     M = np.inner(B,A.T)
    1754     W = np.inner(B,U)+V
    1755     return M,W
    17561756       
    17571757def MoveToUnitCell(xyz):
     
    19031903    return iabsnt,mulp,Uniq,phi
    19041904
    1905 def MagHKLchk(HKL,SGData):
    1906     SpnFlp = SGData['SpnFlp']
    1907     print(HKL)
    1908     Uniq = GenHKL(HKL,SGData)
     1905#def MagHKLchk(HKL,SGData):
     1906#    SpnFlp = SGData['SpnFlp']
     1907#    print(HKL)
     1908#    Uniq = GenHKL(HKL,SGData)
    19091909   
    19101910def checkSSLaue(HKL,SGData,SSGData):
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