From 2bb6cf6293218b0a7f377996227e1111805493af Mon Sep 17 00:00:00 2001 From: Nathan Baker Date: Mon, 25 May 2020 20:33:34 -0700 Subject: [PATCH] Clean up line breaks in version.py See https://github.com/jensengroup/propka-3.1/issues/43 --- propka/version.py | 29 +++++++++++++++++++---------- 1 file changed, 19 insertions(+), 10 deletions(-) diff --git a/propka/version.py b/propka/version.py index b994cbc..8ce368d 100644 --- a/propka/version.py +++ b/propka/version.py @@ -40,31 +40,38 @@ class Version: def calculate_pair_weight(self, num_volume1, num_volume2): """Calculate pair weight using assigned model.""" - return self.weight_pair_method(self.parameters, num_volume1, num_volume2) + return self.weight_pair_method( + self.parameters, num_volume1, num_volume2) def hydrogen_bond_interaction(self, group1, group2): """Calculate H-bond energy using assigned model.""" return self.hydrogen_bond_interaction_model(group1, group2, self) - def calculate_side_chain_energy(self, distance, dpka_max, cutoff, _, f_angle): + def calculate_side_chain_energy(self, distance, dpka_max, cutoff, _, + f_angle): """Calculate sidechain energy using assigned model.""" - return self.sidechain_interaction_model(distance, dpka_max, cutoff, f_angle) + return self.sidechain_interaction_model( + distance, dpka_max, cutoff, f_angle) def electrostatic_interaction(self, group1, group2, distance): """Calculate electrostatic energy using assigned model.""" - return self.electrostatic_interaction_model(group1, group2, distance, self) + return self.electrostatic_interaction_model( + group1, group2, distance, self) def calculate_coulomb_energy(self, distance, weight): """Calculate Coulomb energy using assigned model.""" - return self.coulomb_interaction_model(distance, weight, self.parameters) + return self.coulomb_interaction_model( + distance, weight, self.parameters) def check_coulomb_pair(self, group1, group2, distance): """Check Coulomb pair using assigned model.""" - return self.check_coulomb_pair_method(self.parameters, group1, group2, distance) + return self.check_coulomb_pair_method( + self.parameters, group1, group2, distance) def calculate_backbone_reorganization(self, conformation): """Calculate backbone reorganization using assigned model.""" - return self.backbone_reorganisation_method(self.parameters, conformation) + return self.backbone_reorganisation_method( + self.parameters, conformation) def check_exceptions(self, group1, group2): """Calculate exceptions using assigned model.""" @@ -72,7 +79,8 @@ class Version: def setup_bonding_and_protonation(self, molecular_container): """Setup bonding and protonation using assigned model.""" - return self.molecular_preparation_method(self.parameters, molecular_container) + return self.molecular_preparation_method( + self.parameters, molecular_container) def setup_bonding(self, molecular_container): """Setup bonding using assigned model.""" @@ -242,8 +250,9 @@ class ElementBasedLigandInteractions(VersionA): res = self.parameters.hydrogen_bonds.get_value( elements[0], elements[1]) if not res: - info('Could not determine backbone interaction parameters for:', - backbone_atom, atom) + info( + 'Could not determine backbone interaction parameters for:', + backbone_atom, atom) return None return None