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RDKit
Open-source cheminformatics and machine learning.
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Namespaces | |
| CrystalFF | |
| MMFF | |
| UFF | |
Classes | |
| class | ForceField |
| A class to store forcefields and handle minimization. More... | |
| class | ForceFieldContrib |
| abstract base class for contributions to ForceFields More... | |
Typedefs | |
| typedef std::vector< int > | INT_VECT |
| typedef boost::shared_ptr< const ForceFieldContrib > | ContribPtr |
| typedef std::vector< ContribPtr > | ContribPtrVect |
| typedef boost::shared_ptr<const ForceFieldContrib> ForceFields::ContribPtr |
Definition at line 21 of file ForceField.h.
| typedef std::vector<ContribPtr> ForceFields::ContribPtrVect |
Definition at line 22 of file ForceField.h.
| typedef std::vector<int> ForceFields::INT_VECT |
Definition at line 19 of file ForceField.h.