IMP  2.2.0
The Integrative Modeling Platform
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.


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