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IMP Reference Guide  develop.63b38c487d,2024/12/24
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:

Detailed Description

A filter that excludes bonds, angles and dihedrals.

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.

Public Member Functions

virtual ModelObjectsTemp do_get_inputs (Model *m, const ParticleIndexes &pis) const override
 Overload this method to specify the inputs. More...
 
virtual std::string get_type_name () const override
 
Ints get_value (const ParticlePairsTemp &o) const
 
int get_value (const ParticlePair &a) const
 
virtual int get_value_index (Model *m, const ParticleIndexPair &p) const override
 Compute the predicate and the derivative if needed. More...
 
Ints get_value_index (Model *m, const ParticleIndexPairs &o) const override
 
virtual ::IMP::VersionInfo get_version_info () const override
 Get information about the module and version of the object. More...
 
void set_angles (const Particles &angles)
 
void set_bonds (const Particles &bonds)
 
void set_dihedrals (const Particles &dihedrals)
 
- Public Member Functions inherited from IMP::PairPredicate
 PairPredicate (std::string name="PairPredicate %1%")
 
virtual int get_value_index_in_batch (Model *m, const ParticleIndexPair &vt) const
 
int operator() (Model *m, const ParticleIndexPair &vt) const
 Enable them to be use as functors. More...
 
virtual void setup_for_get_value_index_in_batch (Model *) const
 
- Public Member Functions inherited from IMP::ParticleInputs
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) const
 Get the ModelObjects read when the given list of particles is used. More...
 
- Public Member Functions inherited from IMP::Object
virtual void clear_caches ()
 
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::PairPredicate
typedef ParticlePair Argument
 
typedef ParticleIndexPair IndexArgument
 
- Protected Member Functions inherited from IMP::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Member Function Documentation

virtual ModelObjectsTemp IMP::atom::StereochemistryPairFilter::do_get_inputs ( Model m,
const ParticleIndexes pis 
) const
overridevirtual

Overload this method to specify the inputs.

Implements IMP::ParticleInputs.

virtual int IMP::atom::StereochemistryPairFilter::get_value_index ( Model m,
const ParticleIndexPair vt 
) const
overridevirtual

Compute the predicate and the derivative if needed.

Implements IMP::PairPredicate.

virtual ::IMP::VersionInfo IMP::atom::StereochemistryPairFilter::get_version_info ( ) const
overridevirtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 56 of file StereochemistryPairFilter.h.


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