RDKit
Open-source cheminformatics and machine learning.
ForceField.h File Reference
#include <vector>
#include <boost/smart_ptr.hpp>
#include <Geometry/point.h>

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Classes

class  ForceFields::ForceField
 A class to store forcefields and handle minimization. More...

Namespaces

namespace  ForceFields

Typedefs

typedef std::vector< int > ForceFields::INT_VECT
typedef boost::shared_ptr
< ForceFieldContrib > 
ForceFields::ContribPtr
typedef std::vector< ContribPtr > ForceFields::ContribPtrVect
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