Changeset 1625 for trunk/GSASIIstrMain.py

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:

• trunk/GSASIIstrMain.py (modified) (3 diffs)

trunk/GSASIIstrMain.py

@@ -147 +147 @@
     rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
     rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,pFile=printFile)
-    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,pFile=printFile)
+    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,maxSSwave = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,pFile=printFile)
     calcControls['atomIndx'] = atomIndx
     calcControls['Natoms'] = Natoms
     calcControls['FFtables'] = FFtables
     calcControls['BLtables'] = BLtables
+    calcControls['maxSSwave'] = maxSSwave
     hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histograms,pFile=printFile)
     calcControls.update(controlDict)
@@ -243 +244 @@
     rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[]})
     rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,pFile=printFile)
-    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,False,printFile)
+    Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtables,BLtables,maxSSwave = G2stIO.GetPhaseData(Phases,restraintDict,rbIds,False,printFile)
     for item in phaseVary:
         if '::A0' in item:
@@ -269 +270 @@
         calcControls['FFtables'] = FFtables
         calcControls['BLtables'] = BLtables
+        calcControls['maxSSwave'] = maxSSwave
         Histo = {histogram:Histograms[histogram],}
         hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,Histo,Print=False)