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fix two blunders about array sizes for TOF data
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GSASII/GSASIIstrMath.py

Lines changed: 9 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -1199,20 +1199,20 @@ def StructureFactor2(refDict,G,hfx,pfx,SGData,calcControls,parmDict):
11991199
TwMask = np.any(H,axis=-1)
12001200
SQ = 1./(2.*refl.T[4])**2 #array(blkSize)
12011201
SQfactor = 4.0*SQ*twopisq #ditto prev.
1202-
if 'T' in hType:
1203-
if 'P' in calcControls[hfx+'histType']:
1204-
FP,FPP = G2el.BlenResTOF(Tdata,BLtables,refl.T[14])
1205-
else:
1206-
FP,FPP = G2el.BlenResTOF(Tdata,BLtables,refl.T[12])
1207-
FP = np.repeat(FP.T,len(SGT)*len(TwinLaw),axis=0)
1208-
FPP = np.repeat(FPP.T,len(SGT)*len(TwinLaw),axis=0)
12091202
Uniq = np.inner(H,SGMT)
12101203
Phi = np.inner(H,SGT)
12111204
nOps = len(SGMT)
12121205
if SGData['SGInv']:
12131206
Uniq = np.hstack((Uniq,-Uniq))
12141207
Phi = np.hstack((Phi,Phi))
12151208
nOps *= 2
1209+
if 'T' in hType:
1210+
if 'P' in calcControls[hfx+'histType']:
1211+
FP,FPP = G2el.BlenResTOF(Tdata,BLtables,refl.T[14])
1212+
else:
1213+
FP,FPP = G2el.BlenResTOF(Tdata,BLtables,refl.T[12])
1214+
FP = np.repeat(FP.T,nOps*len(TwinLaw),axis=0)
1215+
FPP = np.repeat(FPP.T,nOps*len(TwinLaw),axis=0)
12161216
phase = twopi*(np.inner(Uniq,(dXdata+Xdata).T).T+Phi.T).T
12171217
sinp = np.sin(phase)
12181218
cosp = np.cos(phase)
@@ -1334,8 +1334,8 @@ def StructureFactorDerv2(refDict,G,hfx,pfx,SGData,calcControls,parmDict):
13341334
FP,FPP = G2el.BlenResTOF(Tdata,BLtables,refl.T[14])
13351335
else:
13361336
FP,FPP = G2el.BlenResTOF(Tdata,BLtables,refl.T[12])
1337-
FP = np.repeat(FP.T,len(SGMT),axis=0)
1338-
FPP = np.repeat(FPP.T,len(SGMT),axis=0)
1337+
FP = np.repeat(FP.T,nOps,axis=0)
1338+
FPP = np.repeat(FPP.T,nOps,axis=0)
13391339
Uniq = np.inner(H,SGMT) # array(nSGOp,3,3)
13401340
Phi = np.inner(H,SGT)
13411341
if SGData['SGInv']:

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