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Use LRU cache for structure.info.residue() #817

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Merged
merged 1 commit into from
Jul 27, 2025
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Use LRU cache for structure.info.residue() #817

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8 changes: 8 additions & 0 deletions src/biotite/structure/info/atoms.py
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@
__author__ = "Patrick Kunzmann"
__all__ = ["residue"]

import functools
from biotite.structure.info.ccd import get_ccd

# fmt: off
Expand Down Expand Up @@ -75,6 +76,13 @@ def residue(res_name, allow_missing_coord=False):
['CB' 'HB3']
['OXT' 'HXT']]
"""
# Use a cache internally, but always return a copy,
# as the returned AtomArray is mutable
return _residue(res_name, allow_missing_coord).copy()


@functools.lru_cache(maxsize=100)
def _residue(res_name, allow_missing_coord=False):
# Avoid circular import
from biotite.structure.io.pdbx import get_component

Expand Down
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