This API is currently available in C++ and Python.
class OEMMFFStretchBend : public OEMolPotential::OEMolFunc2
The OEMMFFStretchBend class defines stretch-bend interaction function using the functional forms used in MMFF94 force field. The function can be initialized with parameters defined in MMFF94 (OEMMFFParams) or MMFF94s (OEMMFF94sParams) force field, or a different set of user defined parameters (OEFFParams) during construction.
- The following methods are publicly inherited from OEFunc0:
- The following methods are publicly inherited from OEFunc1:
- The following methods are publicly inherited from OEFunc2:
- The following methods are publicly inherited from OEMolFunc:
- The OEMMFFStretchBend class defines the following public methods:
OEMMFFStretchBend(const OEMMFFStretchBend &) OEMMFFStretchBend(const OEMolPotential::OEFFParams &)
Default and copy constructors.
Constructs an OEMMFFStretchBend instance using the specified set of parameters.
OEMMFFStretchBend &operator=(const OEMMFFStretchBend &)
The assignment operator.