Skip to content

Commit 402e676

Browse files
committed
Update dependencies for ml mods
1 parent a7c4478 commit 402e676

File tree

2 files changed

+0
-20
lines changed

2 files changed

+0
-20
lines changed

src/fes_ml/alchemical/modifications/ml_correction.py

Lines changed: 0 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -6,10 +6,6 @@
66
import openmm as _mm
77

88
from .base_modification import BaseModification, BaseModificationFactory
9-
from .intramolecular import (
10-
IntraMolecularBondedRemovalModification,
11-
IntraMolecularNonBondedExceptionsModification,
12-
)
139
from .ml_base_modification import MLBaseModification
1410
from .ml_potential import MLPotentialModification
1511

@@ -42,12 +38,6 @@ class MLCorrectionModification(MLBaseModification, BaseModification):
4238

4339
NAME = "MLCorrection"
4440
pre_dependencies: List[str] = [MLPotentialModification.NAME]
45-
post_dependencies: List[str] = [
46-
IntraMolecularNonBondedExceptionsModification.NAME,
47-
]
48-
skip_dependencies: List[str] = [
49-
IntraMolecularBondedRemovalModification.NAME,
50-
]
5141

5242
def apply(
5343
self,

src/fes_ml/alchemical/modifications/ml_interpolation.py

Lines changed: 0 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -7,10 +7,6 @@
77

88
from .base_modification import BaseModification, BaseModificationFactory
99
from .ml_base_modification import MLBaseModification
10-
from .intramolecular import (
11-
IntraMolecularBondedRemovalModification,
12-
IntraMolecularNonBondedExceptionsModification,
13-
)
1410
from .ml_potential import MLPotentialModification
1511

1612
logger = logging.getLogger(__name__)
@@ -42,12 +38,6 @@ class MLInterpolationModification(MLBaseModification, BaseModification):
4238

4339
NAME = "MLInterpolation"
4440
pre_dependencies = [MLPotentialModification.NAME]
45-
post_dependencies = [
46-
IntraMolecularNonBondedExceptionsModification.NAME,
47-
]
48-
skip_dependencies: List[str] = [
49-
IntraMolecularBondedRemovalModification.NAME,
50-
]
5141

5242
def apply(
5343
self,

0 commit comments

Comments
 (0)