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UCLOrengoGroup / cath-tools

Protein structure comparison tools such as SSAP and SNAP
http://cath-tools.readthedocs.io
GNU General Public License v3.0
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tally_residue_names() doesn't handle multiple chains #22

Closed tonyelewis closed 7 years ago

tonyelewis commented 7 years ago

tally_residue_names() looks for a unique list of residue names but doesn't take chains into account so throws on PDBs with multiple chains that happen to have overlapping residue names.

Add failing test case and then fix.

Example PDB: 4uwe

tonyelewis commented 7 years ago

Fixed in dd8438d9b1a923c55871da9bda43cdc768228ca0.

tonyelewis commented 7 years ago

Test that checks this is called handles_multi_chains_with_same_residue_ids