OESmirnoffData

Attention

This API is currently available in C++ and Python.

class OESmirnoffData

The OESmirnoffData class provides an interface to the parameters in the SMIRNOFF force field (see SMIRNOFF).

See also

The class defines the following public methods:

GetID

GetID() -> str

Returns the unique id for the parameter

GetSmarts

GetSmarts() -> str

Returns the SMARTS pattern for the parameter