IMP
2.4.0
The Integrative Modeling Platform
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A filter that excludes bonds, angles and dihedrals. More...
#include <IMP/atom/StereochemistryPairFilter.h>
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 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. More... | |
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. More... | |
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 () |
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... | |
virtual void | do_destroy () |
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Overload this method to specify the inputs.
Reimplemented from IMP::kernel::ParticleInputs.
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Reimplemented from IMP::kernel::PairPredicate.
Definition at line 55 of file StereochemistryPairFilter.h.
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Reimplemented from IMP::kernel::PairPredicate.
Definition at line 55 of file StereochemistryPairFilter.h.
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Compute the predicate and the derivative if needed.
Reimplemented from IMP::kernel::PairPredicate.
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Get information about the module and version of the object.
Reimplemented from IMP::base::Object.
Definition at line 56 of file StereochemistryPairFilter.h.