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MNT: pass unmodified numbers to Atom.occupancy
No need for conversion, numpy types are to be handled by Atom class.
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src/diffpy/srreal/structureconverters.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -142,7 +142,7 @@ def _fetchDiffPyStructureData(adpt, stru):
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aa = AdapterAtom()
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for a0 in stru:
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aa.atomtype = a0.element
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aa.occupancy = float(a0.occupancy)
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aa.occupancy = a0.occupancy
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aa.anisotropy = a0.anisotropy
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# copy fractional coordinates
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aa.xyz_cartn = a0.xyz

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