Searched refs:UFFAddAngleConstraint (Results 1 – 2 of 2) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/Wrap/ |
| H A D | testConstraints.py | 146 ff.UFFAddAngleConstraint(1, 3, 6, False, 90.0, 90.0, 100.0)
154 ff.UFFAddAngleConstraint(1, 3, 6, True, -10.0, 10.0, 100.0)
162 ff.UFFAddAngleConstraint(1, 3, 6, False, -10.0, 10.0, 100.0)
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| H A D | ForceField.cpp | 51 void UFFAddAngleConstraint(PyForceField *self, unsigned int idx1, in UFFAddAngleConstraint() function
351 .def("UFFAddAngleConstraint", UFFAddAngleConstraint, in BOOST_PYTHON_MODULE()
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