Home
last modified time | relevance | path

Searched refs:MMFFAddPositionConstraint (Results 1 – 2 of 2) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/Wrap/
H A DForceField.cpp108 void MMFFAddPositionConstraint(PyForceField *self, unsigned int idx, in MMFFAddPositionConstraint() function
401 .def("MMFFAddPositionConstraint", MMFFAddPositionConstraint, in BOOST_PYTHON_MODULE()
H A DtestConstraints.py321 ff.MMFFAddPositionConstraint(1, 0.3, 1.0e5)