Remove ParameterHandler._OPENMMTYPE (#1760)

* Remove `ParameterHandler._OPENMMTYPE` * update releasehistory --------- Co-authored-by: Jeff Wagner <[email protected]>
openforcefield · Nov 30, 2023 · b17f0fc · b17f0fc
1 parent 5bfd85f
commit b17f0fc
Show file tree

Hide file tree

Showing 2 changed files with 1 addition and 11 deletions.
diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -9,6 +9,7 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
 ## Current development
 
 ### API-breaking changes
+- [PR #1760](https://github.com/openforcefield/openff-toolkit/pull/1760): Removes the private, unused `ParameterHandler._OPENMMTYPE` attribute.
 
 ### Behavior changes
 

diff --git a/openff/toolkit/typing/engines/smirnoff/parameters.py b/openff/toolkit/typing/engines/smirnoff/parameters.py
@@ -1779,8 +1779,6 @@ class ParameterHandler(_ParameterAttributeHandler):
     _TAGNAME: Optional[str] = None
     # container class with type information that will be stored in self._parameters
     _INFOTYPE: Optional[Any] = None
-    # OpenMM Force class (or None if no equivalent)
-    _OPENMMTYPE: Optional[str] = None
     # list of ParameterHandler classes that must precede this, or None
     _DEPENDENCIES: Optional[Any] = None
 
@@ -2392,7 +2390,6 @@ class ConstraintType(ParameterType):
 
     _TAGNAME = "Constraints"
     _INFOTYPE = ConstraintType
-    _OPENMMTYPE = None  # don't create a corresponding OpenMM Force class
 
 
 class BondHandler(ParameterHandler):
@@ -2455,7 +2452,6 @@ def __init__(self, **kwargs):
 
     _TAGNAME = "Bonds"  # SMIRNOFF tag name to process
     _INFOTYPE = BondType  # class to hold force type info
-    _OPENMMTYPE = "HarmonicBondForce"
     _DEPENDENCIES = [ConstraintHandler]  # ConstraintHandler must be executed first
     _MAX_SUPPORTED_SECTION_VERSION = Version("0.4")
 
@@ -2552,7 +2548,6 @@ class AngleType(ParameterType):
 
     _TAGNAME = "Angles"  # SMIRNOFF tag name to process
     _INFOTYPE = AngleType  # class to hold force type info
-    _OPENMMTYPE = "HarmonicAngleForce"
     _DEPENDENCIES = [ConstraintHandler]  # ConstraintHandler must be executed first
 
     potential = ParameterAttribute(default="harmonic")
@@ -2605,7 +2600,6 @@ class ProperTorsionType(ParameterType):
     _TAGNAME = "ProperTorsions"  # SMIRNOFF tag name to process
     _KWARGS = ["partial_bond_orders_from_molecules"]
     _INFOTYPE = ProperTorsionType  # info type to store
-    _OPENMMTYPE = "PeriodicTorsionForce"
     _MAX_SUPPORTED_SECTION_VERSION = Version("0.4")
 
     potential = ParameterAttribute(
@@ -2673,7 +2667,6 @@ class ImproperTorsionType(ParameterType):
 
     _TAGNAME = "ImproperTorsions"  # SMIRNOFF tag name to process
     _INFOTYPE = ImproperTorsionType  # info type to store
-    _OPENMMTYPE = "PeriodicTorsionForce"
 
     potential = ParameterAttribute(
         default="k*(1+cos(periodicity*theta-phase))",
@@ -2732,8 +2725,6 @@ def find_matches(self, entity, unique=False):
 class _NonbondedHandler(ParameterHandler):
     """Base class for ParameterHandlers that deal with OpenMM NonbondedForce objects."""
 
-    _OPENMMTYPE = "NonbondedForce"
-
 
 class vdWHandler(_NonbondedHandler):
     """Handle SMIRNOFF ``<vdW>`` tags
@@ -3335,7 +3326,6 @@ class GBSAType(ParameterType):
 
     _TAGNAME = "GBSA"
     _INFOTYPE = GBSAType
-    _OPENMMTYPE = "GBSAOBCForce"
     # It's important that this runs AFTER partial charges are assigned to all particles, since this will need to
     # collect and assign them to the GBSA particles
     _DEPENDENCIES = [
@@ -3573,7 +3563,6 @@ def _supports_match(
 
     _TAGNAME = "VirtualSites"
     _INFOTYPE = VirtualSiteType
-    _OPENMMTYPE = "NonbondedForce"
     _DEPENDENCIES = [
         ElectrostaticsHandler,
         LibraryChargeHandler,