IMP
2.0.0
The Integrative Modeling Platform
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Accelerated computation of the distance between two rigid bodies. More...
#include <IMP/core/RigidBodyDistancePairScore.h>
Public Member Functions | |
RigidBodyDistancePairScore (PairScore *ps, Refiner *r) | |
Public Member Functions inherited from IMP::core::KClosePairsPairScore | |
KClosePairsPairScore (PairScore *f, Refiner *r, int k=1) | |
Restraints | create_current_decomposition (Model *m, const ParticleIndexPair &vt) const |
virtual void | do_show (std::ostream &out) const |
ParticlePairsTemp | get_close_pairs (const ParticlePair &pp) const |
Public Member Functions inherited from IMP::kernel::PairScore | |
PairScore (std::string name="PairScore %1%") | |
Restraints | create_current_decomposition (Model *m, const ParticleIndexPair &vt) const |
virtual double | evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const |
Compute the score and the derivative if needed. | |
virtual double | evaluate_if_good_index (Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const |
Compute the score and the derivative if needed. | |
virtual double | evaluate_if_good_indexes (Model *m, const ParticleIndexPairs &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const |
virtual double | evaluate_index (Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const |
Compute the score and the derivative if needed. | |
virtual double | evaluate_indexes (Model *m, const ParticleIndexPairs &o, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const |
ContainersTemp | get_input_containers (Particle *p) const |
ParticlesTemp | get_input_particles (Particle *p) const |
ModelObjectsTemp | get_inputs (Model *m, const ParticleIndexes &pis) const |
Public Member Functions inherited from IMP::base::Object | |
virtual void | clear_caches () |
virtual IMP::base::VersionInfo | get_version_info () const =0 |
Get information about the module and version of the object. | |
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::PairScore | |
typedef ParticlePair | Argument |
typedef ParticleIndexPair | IndexArgument |
typedef PairModifier | Modifier |
typedef const ParticlePair & | PassArgument |
typedef const ParticleIndexPair & | PassIndexArgument |
Protected Member Functions inherited from IMP::kernel::PairScore | |
virtual Restraints | do_create_current_decomposition (Model *m, const ParticleIndexPair &vt) const |
virtual ModelObjectsTemp | do_get_inputs (Model *m, const ParticleIndexes &pis) const =0 |
Related Functions inherited from IMP::kernel::PairScore | |
typedef IMP::base::Vector < IMP::base::WeakPointer < PairScore > > | PairScoresTemp |
Rigid bodies are made of a collection of particles whose internal relationships don't change. The distance between two rigid bodies can be defined as the minimal distance over all bipartite pairs with one particle taken from each rigid body. This computation can be accelerated (similarly to the RigidClosePairsFinder). The passed PairScore is then applied to this minimal pair to give the returned score.
Definition at line 29 of file RigidBodyDistancePairScore.h.
Use the passed refiner for both particles.