Skip to content

Commit

Permalink
Remove unused imports
Browse files Browse the repository at this point in the history
  • Loading branch information
hannahbaumann committed Oct 1, 2024
1 parent d01ab9d commit c84ea90
Show file tree
Hide file tree
Showing 4 changed files with 4 additions and 18 deletions.
12 changes: 3 additions & 9 deletions openfe_gromacs/protocols/gromacs_md/md_methods.py
Original file line number Diff line number Diff line change
Expand Up @@ -20,15 +20,9 @@
from typing import Any

import gufe
import pint
from gufe import ChemicalSystem, SmallMoleculeComponent, settings
from openfe.protocols.openmm_utils import (
charge_generation,
system_creation,
system_validation,
)
from openfe.utils import log_system_probe, without_oechem_backend
from openff.interchange import Interchange
from gufe import ChemicalSystem, settings
from openfe.protocols.openmm_utils import system_validation
from openfe.utils import log_system_probe
from openff.toolkit.topology import Molecule as OFFMolecule
from openff.units import unit

Expand Down
8 changes: 1 addition & 7 deletions openfe_gromacs/protocols/gromacs_utils/create_systems.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,13 +9,7 @@
from openff.units.openmm import from_openmm, to_openmm
from openmmtools import forces

from openfe_gromacs.protocols.gromacs_md.md_settings import (
EMOutputSettings,
FFSettingsOpenMM,
IntegratorSettings,
OpenFFPartialChargeSettings,
SolvationSettings,
)
from openfe_gromacs.protocols.gromacs_md.md_settings import OpenFFPartialChargeSettings


def assign_partial_charges(
Expand Down
1 change: 0 additions & 1 deletion openfe_gromacs/tests/conftest.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
# For details, see https://github.com/OpenFreeEnergy/openfe
import importlib
import os
import pathlib
from importlib import resources

import gufe
Expand Down
1 change: 0 additions & 1 deletion openfe_gromacs/tests/protocols/test_md_tokenization.py
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,6 @@
import json

import gufe
import openfe
import pytest
from gufe.tests.test_tokenization import GufeTokenizableTestsMixin

Expand Down

0 comments on commit c84ea90

Please sign in to comment.