a few comments and adjusted calculation
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@ -995,6 +995,12 @@ class Orientation:
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relationModel,
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direction,
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targetSymmetry = None):
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"""
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orientation relationship
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positive number: fcc --> bcc
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negative number: bcc --> fcc
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"""
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if relationModel not in ['KS','GT','GTdash','NW','Pitsch','Bain']: return None
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if int(direction) == 0: return None
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@ -1227,14 +1233,14 @@ class Orientation:
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myPlane /= np.linalg.norm(myPlane)
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myNormal = [float(i) for i in normals[relationModel][variant,me]] # map(float, planes[...]) does not work in python 3
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myNormal /= np.linalg.norm(myNormal)
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myMatrix = np.array([myPlane,myNormal,np.cross(myPlane,myNormal)])
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myMatrix = np.array([myNormal,np.cross(myPlane,myNormal),myPlane]).T
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otherPlane = [float(i) for i in planes[relationModel][variant,other]] # map(float, planes[...]) does not work in python 3
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otherPlane /= np.linalg.norm(otherPlane)
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otherNormal = [float(i) for i in normals[relationModel][variant,other]] # map(float, planes[...]) does not work in python 3
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otherNormal /= np.linalg.norm(otherNormal)
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otherMatrix = np.array([otherPlane,otherNormal,np.cross(otherPlane,otherNormal)])
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otherMatrix = np.array([otherNormal,np.cross(otherPlane,otherNormal),otherPlane]).T
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rot=np.dot(otherMatrix.T,myMatrix)
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rot=np.dot(otherMatrix,myMatrix.T)
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return Orientation(matrix=np.dot(rot,self.asMatrix())) # no symmetry information ??
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