The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Is your feature request related to a problem? Please describe.
The "old" OpenMM code stored ParameterHandler._OPENMMTYPE as a way to communicate which force a particular handler's interactions would end up in. This (private) attribute is no longer used, which means some downstream use is no longer valid. Removing it - an AttributeError would probably be thrown - is a behavior change, but only in that a previously silent behavior change is no longer silent.
Describe the solution you'd like
Do not define _OPENMMTYPE on ParameterHandler and subclasses.
Is your feature request related to a problem? Please describe.
The "old" OpenMM code stored
ParameterHandler._OPENMMTYPE
as a way to communicate which force a particular handler's interactions would end up in. This (private) attribute is no longer used, which means some downstream use is no longer valid. Removing it - anAttributeError
would probably be thrown - is a behavior change, but only in that a previously silent behavior change is no longer silent.Describe the solution you'd like
Do not define
_OPENMMTYPE
onParameterHandler
and subclasses.Describe alternatives you've considered
Do nothing.
Additional context