removed some commented out older code

nomad-coe · Nov 22, 2023 · 2d2cc7d · 2d2cc7d
1 parent 48ce5c6
commit 2d2cc7d
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Showing 2 changed files with 2 additions and 24 deletions.
diff --git a/atomisticparsers/gromacs/parser.py b/atomisticparsers/gromacs/parser.py
@@ -839,15 +839,11 @@ def parse_method(self):
             self.logger.error('Error parsing interactions.')
 
         interactions = self.traj_parser.get_interactions()
-<<<<<<< HEAD
-<<<<<<< HEAD
         self.parse_interactions(interactions, sec_model)
-=======
-=======
+
         #  TODO The section below is duplicated in the lammps and gromacs parsers. We should really move them
         #       to the MDAnalysis parser, but you must be careful because there are other contributions to interactions
         #       from other (sub)parsers
->>>>>>> aaf4eaa (reorganized interactions in lammps parse_method into groups, created bond list in system 0 atoms section, and moved the bond list creation to atomutils)
         interaction_key_list = Interaction.__dict__.keys()
         interaction_dict = {}
         interaction_keys_remove = ['__module__', '__doc__', 'm_def']
@@ -885,15 +881,6 @@ def parse_method(self):
             if not sec_interaction.get('n_atoms'):
                 sec_interaction.n_atoms = len(sec_interaction.get('atom_indices')[0]) if sec_interaction.get('atom_indices') is not None else None
 
-        # OLD VERSION WITHOUT GROUPINGS
-        # for interaction in interactions:
-        #     sec_interaction = sec_model.m_create(Interaction)
-        #     for key, val in interaction.items():
-        #         print(key)
-        #         print(val)
-        #         setattr(sec_interaction, key, val)
->>>>>>> 0d6bf49 (adjusted gromacs tests for interaction groupings)
-
         input_parameters = self.log_parser.get('input_parameters', {})
         sec_force_calculations = sec_force_field.m_create(ForceCalculations)
         sec_neighbor_searching = sec_force_calculations.m_create(NeighborSearching)

diff --git a/atomisticparsers/lammps/parser.py b/atomisticparsers/lammps/parser.py
@@ -1101,9 +1101,8 @@ def parse_method(self):
 
         # TODO address case types are numbered instead of giving atom labels (fix tests accordingly)
         interactions = self._mdanalysistraj_parser.get_interactions()
-<<<<<<< HEAD
         self.parse_interactions(interactions, sec_model)
-=======
+
         #  TODO The section below is duplicated in the lammps and gromacs parsers. We should really move them
         #       to the MDAnalysis parser, but you must be careful because there are other contributions to interactions
         #       from other (sub)parsers
@@ -1144,14 +1143,6 @@ def parse_method(self):
             if not sec_interaction.get('n_atoms'):
                 sec_interaction.n_atoms = len(sec_interaction.get('atom_indices')[0]) if sec_interaction.get('atom_indices') is not None else None
 
-        # OLD VERSION WITHOUT GROUPINGS
-        # interactions = interactions if interactions is not None else []
-        # for interaction in interactions:
-        #     sec_interaction = sec_model.m_create(Interaction)
-        #     for key, val in interaction.items():
-        #         setattr(sec_interaction, key, val)
->>>>>>> aa724bd (corrected new metadata names in Interactions)
-
         # Force Calculation Parameters
         sec_force_calculations = sec_force_field.m_create(ForceCalculations)
         for pairstyle in self.log_parser.get('pair_style', []):