openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
http://openforcefield.org
MIT License
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Remove `ParameterHandler._OPENMMTYPE` #1745

Closed mattwthompson closed 7 months ago

mattwthompson commented 9 months ago

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 This (private) attribute is no longer used, which means some downstream use is no longer valid.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.

Describe alternatives you've considered

Do nothing.

Additional context