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De-lint conformation_container.py.

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Some public methods/members were changed.  These were checked against
Google for obvious use in other packages.
This commit is contained in:
Nathan Baker
2020-05-23 17:22:18 -07:00
parent 5afc5d511a
commit 83c54ec153
6 changed files with 387 additions and 249 deletions
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4
propka/coupled_groups.py
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@@ -38,7 +38,7 @@ class non_covalently_couple_groups:
if self.parameters.pH == 'variable':
use_pH = min(group1.pka_value, group2.pka_value)
default_energy = energy_method(pH=use_pH, reference=self.parameters.reference)
default_energy = energy_method(ph=use_pH, reference=self.parameters.reference)
default_pka1 = group1.pka_value
default_pka2 = group2.pka_value
@@ -54,7 +54,7 @@ class non_covalently_couple_groups:
group2.calculate_total_pka()
# store swapped energy and pka's
swapped_energy = energy_method(pH=use_pH, reference=self.parameters.reference)
swapped_energy = energy_method(ph=use_pH, reference=self.parameters.reference)
swapped_pka1 = group1.pka_value
swapped_pka2 = group2.pka_value