Searched defs:minDihedralDeg (Results 1 – 3 of 3) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/MMFF/ |
| H A D | TorsionConstraint.cpp | 28 unsigned int idx4, double minDihedralDeg, in checkPrecondition()
61 unsigned int idx4, double minDihedralDeg, double maxDihedralDeg, in setParameters()
77 unsigned int idx4, double minDihedralDeg, double maxDihedralDeg, in TorsionConstraintContrib()
87 unsigned int idx4, bool relative, double minDihedralDeg, in TorsionConstraintContrib()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/UFF/ |
| H A D | TorsionConstraint.cpp | 28 unsigned int idx4, double minDihedralDeg, in checkPrecondition()
61 unsigned int idx4, double minDihedralDeg, double maxDihedralDeg, in setParameters()
77 unsigned int idx4, double minDihedralDeg, double maxDihedralDeg, in TorsionConstraintContrib()
87 unsigned int idx4, bool relative, double minDihedralDeg, in TorsionConstraintContrib()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/Wrap/ |
| H A D | ForceField.cpp | 64 double minDihedralDeg, double maxDihedralDeg, in UFFAddTorsionConstraint()
100 double minDihedralDeg, double maxDihedralDeg, in MMFFAddTorsionConstraint()
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