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.