RDKit
Open-source cheminformatics and machine learning.
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Namespaces | |
namespace | CrystalFF |
namespace | MMFF |
namespace | 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 44 of file ForceField.h.
typedef std::vector<ContribPtr> ForceFields::ContribPtrVect |
Definition at line 45 of file ForceField.h.
typedef std::vector<int> ForceFields::INT_VECT |
Definition at line 43 of file ForceField.h.