RDKit: ForceFields Namespace Reference

| RDKit Open-source cheminformatics and machine learning.

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Namespaces | Classes | Typedefs
ForceFields Namespace Reference

## Namespaces
namespace | CrystalFF
namespace | MMFF
namespace | UFF

## Classes
class | AngleConstraintContrib
| An angle range constraint modelled after a AngleBendContrib. More...
class | AngleConstraintContribs
| A term to capture all flat bottom angle constraint potentials. More...
struct | AngleConstraintContribsParams
class | DistanceConstraintContrib
| A distance range constraint modelled after a BondStretchContrib. More...
class | DistanceConstraintContribs
| A term to capture all flat bottom distance constraint potentials. More...
struct | DistanceConstraintContribsParams
class | ForceField
| A class to store forcefields and handle minimization. More...
class | ForceFieldContrib
| abstract base class for contributions to ForceFields More...
class | PositionConstraintContrib
| A position constraint of the type 0.5k * deltaX^2. More...
class | TorsionConstraintContrib
| A dihedral angle range constraint modelled after a TorsionContrib. More...

## Typedefs
typedef std::vector< int > | INT_VECT
typedef boost::shared_ptr< const ForceFieldContrib > | ContribPtr
typedef std::vector< ContribPtr > | ContribPtrVect

## Typedef Documentation

## ◆ ContribPtr

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

Definition at line 44 of file ForceField.h.

## ◆ ContribPtrVect

typedef std::vector<ContribPtr> ForceFields::ContribPtrVect

Definition at line 45 of file ForceField.h.

## ◆ INT_VECT

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

Definition at line 43 of file ForceField.h.