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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <vector>
#include <boost/smart_ptr.hpp>
#include <boost/foreach.hpp>
#include <Geometry/point.h>
#include <GraphMol/Trajectory/Snapshot.h>
Go to the source code of this file.
Classes | |
class | ForceFields::ForceField |
A class to store forcefields and handle minimization. More... | |
Namespaces | |
ForceFields | |
Typedefs | |
typedef std::vector< int > | ForceFields::INT_VECT |
typedef boost::shared_ptr< const ForceFieldContrib > | ForceFields::ContribPtr |
typedef std::vector< ContribPtr > | ForceFields::ContribPtrVect |