Changeset 1841


Ignore:
Timestamp:
May 7, 2015 4:20:21 PM (7 years ago)
Author:
vondreele
Message:

small fix in ExportCells?
seqRefine now ignores phase texture

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwdGUI.py

    r1840 r1841  
    24442444                names = 'M20,X20,Bravais,a,b,c,alpha,beta,gamma,volume\n'
    24452445                File.write(names)
    2446                 fmt = '%d,%d,%s,%.4f,%.4f,%.4f,%.2f,%.2f,%.2f,%.3f\n'
     2446                fmt = '%.2f,%d,%s,%.4f,%.4f,%.4f,%.2f,%.2f,%.2f,%.3f\n'
    24472447                for cell in cells:
    24482448                    File.write(fmt%(cell[0],cell[1],bravaisSymb[cell[2]], cell[3],cell[4],cell[5], cell[6],cell[7],cell[8],cell[9]))
  • trunk/GSASIIstrIO.py

    r1820 r1841  
    753753################################################################################       
    754754                   
    755 def GetPhaseData(PhaseData,RestraintDict={},rbIds={},Print=True,pFile=None):
     755def GetPhaseData(PhaseData,RestraintDict={},rbIds={},Print=True,pFile=None,seqRef=False):
    756756    'needs a doc string'
    757757           
     
    11651165                            maxSSwave[pfx][Stype] = max(maxSSwave[pfx][Stype],iw+1)
    11661166            textureData = General['SH Texture']
    1167             if textureData['Order']:
     1167            if textureData['Order'] and not seqRef:
    11681168                phaseDict[pfx+'SHorder'] = textureData['Order']
    11691169                phaseDict[pfx+'SHmodel'] = SamSym[textureData['Model']]
     
    12091209                    print >>pFile,'\n Modulation vector: mV0 = %.4f'%(Vec[0]),' mV1 = %.4f'%(Vec[1]),   \
    12101210                        ' mV2 = %.4f'%(Vec[2]),' max mod. index = %d'%(maxH),' Refine?',vRef
    1211                 PrintTexture(textureData)
     1211                if not setRef:
     1212                    PrintTexture(textureData)
    12121213                if name in RestraintDict:
    12131214                    PrintRestraints(cell[1:7],SGData,General['AtomPtrs'],Atoms,AtLookup,
  • trunk/GSASIIstrMain.py

    r1835 r1841  
    259259    rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
    260260    rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,pFile=printFile)
    261     Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,maxSSwave = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,False,printFile)
     261    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,maxSSwave = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,False,printFile,seqRef=True)
    262262    for item in phaseVary:
    263263        if '::A0' in item:
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