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De-lint coupled_groups.py

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Some methods/attributes were changed but were checked in Google to make
sure other codes were not affected.
This commit is contained in:
Nathan Baker
2020-05-23 17:57:12 -07:00
parent 83c54ec153
commit c985e02713
2 changed files with 216 additions and 173 deletions
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4
propka/conformation_container.py
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@@ -3,7 +3,7 @@ import functools
import propka.ligand
from propka.output import make_interaction_map
from propka.determinant import Determinant
from propka.coupled_groups import nccg
from propka.coupled_groups import NCCG
from propka.determinants import setBackBoneDeterminants, setIonDeterminants
from propka.determinants import setDeterminants
from propka.group import Group, is_group
@@ -112,7 +112,7 @@ class ConformationContainer:
if len(list(filter(lambda g: len(g.non_covalently_coupled_groups) > 0,
self.get_titratable_groups()))) > 0:
self.non_covalently_coupled_groups = True
nccg.identify_non_covalently_coupled_groups(self, verbose=verbose)
NCCG.identify_non_covalently_coupled_groups(self, verbose=verbose)
# re-do the check
if len(list(filter(lambda g: len(g.non_covalently_coupled_groups) > 0,
self.get_titratable_groups()))) > 0: