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1 parent 30d3b28 commit aa0c8f7Copy full SHA for aa0c8f7
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python/BioSimSpace/Align/_merge.py
@@ -1267,7 +1267,9 @@ def merge(
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# Map the index to its position in the merged molecule.
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idy_map = mol1_merged_mapping[idy]
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+ # Get the connection type between the atoms.
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conn_type = conn0.connection_type(idx_map, idy_map)
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+
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# The atoms aren't bonded.
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if conn_type == 0:
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clj_scale_factor = _SireMM.CLJScaleFactor(1, 1)
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