RDKit
Open-source cheminformatics and machine learning.
ForceFields Namespace Reference

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 ForceFieldContribContribPtr
 
typedef std::vector< ContribPtrContribPtrVect
 

Typedef Documentation

typedef boost::shared_ptr<const ForceFieldContrib> ForceFields::ContribPtr

Definition at line 22 of file ForceField.h.

Definition at line 23 of file ForceField.h.

typedef std::vector<int> ForceFields::INT_VECT

Definition at line 20 of file ForceField.h.