Ignore:
Timestamp:
Jan 8, 2015 4:24:32 PM (7 years ago)
Author:
vondreele
Message:

add a parameter to result from G2stIO.GetPhaseData?
add modulation functions to G2Math
add modulation names to G2obj
implement various wave types for modulations
plot position modulation wave function on contour plots
implement shift of modulation plot by +/-/0 keys
temporarily default G2spc.GetSSfxuinel to 1,-1 site symm.
move maxSSwave dict out of parmDict - now in controlDict
implement import of Sawtooth parms from J2K files.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMain.py

    r1550 r1625  
    147147    rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
    148148    rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,pFile=printFile)
    149     Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,pFile=printFile)
     149    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,maxSSwave = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,pFile=printFile)
    150150    calcControls['atomIndx'] = atomIndx
    151151    calcControls['Natoms'] = Natoms
    152152    calcControls['FFtables'] = FFtables
    153153    calcControls['BLtables'] = BLtables
     154    calcControls['maxSSwave'] = maxSSwave
    154155    hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histograms,pFile=printFile)
    155156    calcControls.update(controlDict)
     
    243244    rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
    244245    rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,pFile=printFile)
    245     Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,False,printFile)
     246    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,maxSSwave = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,False,printFile)
    246247    for item in phaseVary:
    247248        if '::A0' in item:
     
    269270        calcControls['FFtables'] = FFtables
    270271        calcControls['BLtables'] = BLtables
     272        calcControls['maxSSwave'] = maxSSwave
    271273        Histo = {histogram:Histograms[histogram],}
    272274        hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histo,Print=False)
Note: See TracChangeset for help on using the changeset viewer.