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change attr setting
1 parent cb3229c commit 3f679bb

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+6
-4
lines changed

1 file changed

+6
-4
lines changed

rmgpy/molecule/molecule.py

Lines changed: 6 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1034,8 +1034,6 @@ def __init__(self, atoms=None, symmetry=-1, multiplicity=-187, reactive=True, pr
10341034
self.props = props or {}
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self.metal = metal
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self.facet = facet
1037-
self._sssr = None
1038-
self._symm_sssr = None
10391037

10401038
if inchi and smiles:
10411039
logging.warning('Both InChI and SMILES provided for Molecule instantiation, '
@@ -2663,10 +2661,10 @@ def get_smallest_set_of_smallest_rings(self, symmetrized=False):
26632661
though RMG uses SSSR for historical reasons.
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"""
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if symmetrized:
2666-
if self._symm_sssr is not None:
2664+
if hasattr(self, "_symm_sssr"):
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return self._symm_sssr
26682666
else:
2669-
if self._sssr is not None:
2667+
if hasattr(self, "_sssr"):
26702668
return self._sssr
26712669

26722670
# RDKit does not support electron
@@ -2691,6 +2689,10 @@ def get_smallest_set_of_smallest_rings(self, symmetrized=False):
26912689
atom_ring = [self.atoms[idx] for idx in ring]
26922690
sorted_ring = self.sort_cyclic_vertices(atom_ring)
26932691
sssr.append(sorted_ring)
2692+
if symmetrized:
2693+
setattr(self, "_symm_sssr", sssr)
2694+
else:
2695+
setattr(self, "_sssr", sssr)
26942696
return sssr
26952697

26962698
def get_relevant_cycles(self):

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