IMP::atom::StereochemistryPairFilter Class Reference

A filter that excludes bonds, angles and dihedrals. More...

#include <IMP/atom/StereochemistryPairFilter.h>

Inheritance diagram for IMP::atom::StereochemistryPairFilter:

Public Member Functions
virtual kernel::ModelObjectsTemp	do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
virtual std::string	get_type_name () const
Ints	get_value (const kernel::ParticlePairsTemp &o) const
int	get_value (const kernel::ParticlePair &a) const
virtual int	get_value_index (kernel::Model *m, const kernel::ParticleIndexPair &p) const
	Compute the predicate and the derivative if needed.
Ints	get_value_index (kernel::Model *m, const kernel::ParticleIndexPairs &o) const
virtual ::IMP::base::VersionInfo	get_version_info () const
	Get information about the module and version of the object.
void	set_angles (const kernel::Particles &angles)
void	set_bonds (const kernel::Particles &bonds)
void	set_dihedrals (const kernel::Particles &dihedrals)
Public Member Functions inherited from IMP::kernel::PairPredicate
	PairPredicate (std::string name="PairPredicate %1%")
int	operator() (kernel::Model *m, const kernel::ParticleIndexPair &vt) const
	Enable them to be use as functors. More...
Public Member Functions inherited from IMP::kernel::ParticleInputs
virtual ContainersTemp	get_input_containers (Particle *p) const
virtual ParticlesTemp	get_input_particles (Particle *p) const
ModelObjectsTemp	get_inputs (kernel::Model *m, const ParticleIndexes &pis) const
Public Member Functions inherited from IMP::base::Object
virtual void	clear_caches ()
virtual void	do_destroy ()
CheckLevel	get_check_level () const
LogLevel	get_log_level () const
void	set_check_level (CheckLevel l)
void	set_log_level (LogLevel l)
	Set the logging level used in this object. More...
void	set_was_used (bool tf) const
void	show (std::ostream &out=std::cout) const
const std::string &	get_name () const
void	set_name (std::string name)

Additional Inherited Members
Public Types inherited from IMP::kernel::PairPredicate
typedef kernel::ParticlePair	Argument
typedef kernel::ParticleIndexPair	IndexArgument
Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)
	Construct an object with the given name. More...

Detailed Description

This is to be used with a core::ClosePairsScoreState to exclude all stereochemical interactions between the particles of an atomic system. Call set_bonds() to exclude bonds (1-2 particle interactions), set_angles() to exclude angles (1-3 interactions) and set_dihedrals() to exclude dihedrals (1-4 interactions).

Definition at line 26 of file StereochemistryPairFilter.h.

Member Function Documentation

virtual kernel::ModelObjectsTemp IMP::atom::StereochemistryPairFilter::do_get_inputs ( kernel::Model *  m, const kernel::ParticleIndexes &  pis  ) const

virtual

Overload this method to specify the inputs.

Reimplemented from IMP::kernel::ParticleInputs.

int IMP::atom::StereochemistryPairFilter::get_value ( const kernel::ParticlePair &  vt ) const

virtual

Deprecated:

As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use the index based version.

Reimplemented from IMP::kernel::PairPredicate.

Definition at line 55 of file StereochemistryPairFilter.h.

Ints IMP::atom::StereochemistryPairFilter::get_value ( const kernel::ParticlePairsTemp &  o ) const

virtual

Deprecated:

As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use the index based version.

Reimplemented from IMP::kernel::PairPredicate.

Definition at line 55 of file StereochemistryPairFilter.h.

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

• StereochemistryPairFilter.h