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Commit 02caec7e authored by cmaffeo2's avatar cmaffeo2
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Fix matrix transpose in new quaterion_from_matrix routine

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mrdna/arbdmodel/coords.py
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...@@ -110,6 +110,7 @@ def quaternion_to_matrix(q): ...@@ -110,6 +110,7 @@ def quaternion_to_matrix(q):
return np.array(R) return np.array(R)
def quaternion_from_matrix( R ): def quaternion_from_matrix( R ):
R = R.T
q = np.empty(4) q = np.empty(4)
if R[2,2] < 0: if R[2,2] < 0:
if R[0,0] > R[1,1]: if R[0,0] > R[1,1]:
......
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