Simple connectivity restraint. More...

Public Member Functions
core::HarmonicUpperBound *	get_harmonic_upper_bound ()

core::ConnectivityRestraint *	get_restraint ()

core::SphereDistancePairScore *	get_sphere_distance_pair_score ()

base::VersionInfo	get_version_info () const

void	set_k (Float k)
	Set the spring constant for the HarmonicUpperBound. More...

void	set_mean (Float mean)
	Set the mean for the HarmonicUpperBound. More...

void	set_standard_deviation (Float sd)
	Set the standard deviation for the HarmonicUpperBound.

void	show (std::ostream &out=std::cout) const

Friends
SimpleConnectivity	create_simple_connectivity_on_molecules (atom::Hierarchies const &mhs)

SimpleConnectivity	create_simple_connectivity_on_rigid_bodies (const core::RigidBodies &rbs, Refiner *ref)

Detailed Description

Note: SimpleConnectivity stores pointers to ConnectivityRestraint, HarmonicUpperBound, and SphereDistancePairScore.; It provides convenient methods to change mean, k, and standard deviation.

Definition at line 144 of file simplify_restraint.h.

Member Function Documentation

void IMP::restrainer::SimpleConnectivity::set_k ( Float k )

The default k is 1.

Definition at line 188 of file simplify_restraint.h.

void IMP::restrainer::SimpleConnectivity::set_mean ( Float mean )

The default mean is 0.

Definition at line 173 of file simplify_restraint.h.

SimpleConnectivity create_simple_connectivity_on_molecules ( atom::Hierarchies const & mhs )

friend

Creates ConnectivityRestraint on molecules using LowestRefinedPairScore and LeavesRefiner.

See Also: LowestRefinedPairScore; SphereDistancePairScore; HarmonicUpperBound; LeavesRefiner See SimpleConnectivity

SimpleConnectivity create_simple_connectivity_on_rigid_bodies	(	const core::RigidBodies &	rbs,
		Refiner *	ref
	)

friend

Creates ConnectivityRestraint on rigid bodies.

Note: Having the default be RigidMembersRefiner is most likely a bad idea, but it is needed to make things work. The refiner should probably be exposed, otherwise this method cannot be used with the rigid bodies created from molecular hierarchies, which is kind of an unintuitive result. A better solution may be to ensure that everything is an atom.Hierarchy and use the LeavesRefiner implicitly.

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