IMP::core::ExcludedVolumeRestraint Class Reference

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Detailed Description

Prevent a set of particles and rigid bodies from inter-penetrating.

Given an arbitrary collection of particles and rigid bodies, this restraint prevents the particles from interpenetrating. Such restraints are also known as steric clash restraints.

Note:

If any of the rigid bodies don't have radii, an appropriate radius will be added. Note, to take advantage of this, the RigidBody must be in the container before the Restraint is added to the model.

Changing the set of particles in the SingletonContainer is not currently supported after the first evaluate call.

Currently the radius of all particles is assumed to be constant

Examples: symmetry, display log, dock with crosslinks, rigid brownian dynamics, rigid body excluded volume, optimize balls, excluded volume

Inheritance diagram for IMP::core::ExcludedVolumeRestraint:

List of all members.

Public Member Functions
	ExcludedVolumeRestraint (SingletonContainer *sc, double k=1, double slack=10)
unsigned int	add_pair_filter (PairFilter *obj)
template<class List >
void	add_pair_filters (List objs)
void	clear_pair_filters ()
Restraints	do_create_current_decomposition () const
Restraints	do_create_decomposition () const
Restraints	do_create_incremental_decomposition (unsigned int) const
bool	get_has_pair_filters () const
unsigned int	get_number_of_pair_filters () const
PairFilter *	get_pair_filter (unsigned int i) const
PairFilters	get_pair_filters () const
PairFilterIterator	pair_filters_begin ()
PairFilterConstIterator	pair_filters_begin () const
PairFilterConstIterator	pair_filters_end () const
PairFilterIterator	pair_filters_end ()
void	remove_pair_filter (PairFilter *d)
template<class List >
void	remove_pair_filters (List d)
template<class F >
void	remove_pair_filters_if (const F &f)
void	reserve_pair_filters (unsigned int sz)
template<class List >
void	set_pair_filters (List ps)
template<class List >
void	set_pair_filters_order (List ps)
Static Public Member Functions
static ExcludedVolumeRestraint *	get_from (IMP::base::Object *o)

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Constructor & Destructor Documentation

IMP::core::ExcludedVolumeRestraint::ExcludedVolumeRestraint	(	SingletonContainer *	sc,
		double	k = 1,
		double	slack = 10
	)

The SingletonContainer contains a set of XYZR particles and RigidMembers.

The spring constant used is k.

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Member Function Documentation

Restraints IMP::core::ExcludedVolumeRestraint::do_create_current_decomposition

(

)

const [virtual]

A Restraint should override this if they want to decompose themselves for display and other purposes. The returned restraints will be made in to a RestraintSet, if needed and the weight and maximum score set for the restraint set.

Reimplemented from IMP::Restraint.

Restraints IMP::core::ExcludedVolumeRestraint::do_create_decomposition

(

)

const [virtual]

A Restraint should override this if they want to decompose themselves for domino and other purposes. The returned restraints will be made in to a RestraintSet, if needed and the weight and maximum score set for the restraint set.

Reimplemented from IMP::Restraint.

Restraints IMP::core::ExcludedVolumeRestraint::do_create_incremental_decomposition

(

unsigned

int

)

const [virtual]

int should override this if they want to decompose themselves for incremental montecarlo and other purposes. The returned restraints will be made in to a RestraintSet, if needed and the weight and maximum score set for the restraint set.

Reimplemented from IMP::Restraint.

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The documentation for this class was generated from the following file:

• ExcludedVolumeRestraint.h