Changeset 1559 for trunk/GSASIIspc.py


Ignore:
Timestamp:
Nov 3, 2014 2:48:51 PM (8 years ago)
Author:
vondreele
Message:

use deepcopy for various copy operations in G2ddataGUI
use complementary colors to background for cell edges
trap superlattice in cubics
more fixes to cell indexing routines from possible use of superlattice
add HStrainVals to G2spc
use it (maybe) in G2strIO, Math
make arguments for GetReflPos? & GetReflPosDeriv? the same (use A not G)
add GetDij? to G2strMath
topas xye file comments start with "'" sometimes

File:
1 edited

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  • trunk/GSASIIspc.py

    r1548 r1559  
    13231323        SHKL += ['S211','S121','S112']
    13241324        return SHKL
     1325       
     1326def HStrainVals(HSvals,SGData):
     1327    laue = SGData['SGLaue']
     1328    uniq = SGData['SGUniq']
     1329    DIJ = np.zeros(6)
     1330    if laue in ['m3','m3m']:
     1331        DIJ[:3] = [HSvals[0],HSvals[0],HSvals[0]]
     1332    elif laue in ['6/m','6/mmm','3m1','31m','3']:
     1333        DIJ[:4] = [HSvals[0],HSvals[0],HSvals[1],HSvals[0]]
     1334    elif laue in ['3R','3mR']:
     1335        DIJ = [HSvals[0],HSvals[0],HSvals[0],HSvals[1],HSvals[1],HSvals[1]]
     1336    elif laue in ['4/m','4/mmm']:
     1337        DIJ[:3] = [HSvals[0],HSvals[0],HSvals[1]]
     1338    elif laue in ['mmm']:
     1339        DIJ[:3] = [HSvals[0],HSvals[1],HSvals[2]]
     1340    elif laue in ['2/m']:
     1341        DIJ[:3] = [HSvals[0],HSvals[1],HSvals[2]]
     1342        if uniq == 'a':
     1343            DIJ[5] = HSvals[3]
     1344        elif uniq == 'b':
     1345            DIJ[4] = HSvals[3]
     1346        elif uniq == 'c':
     1347            DIJ[3] = HSvals[3]
     1348        return Dij
     1349    else:
     1350        DIJ = [HSvals[0],HSvals[1],HSvals[2],HSvals[3],HSvals[4],HSvals[5]]
     1351    return DIJ
    13251352
    13261353def HStrainNames(SGData):
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