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IMP
2.1.1
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) | |
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KClosePairsPairScore (PairScore *f, Refiner *r, int k=1) | |
kernel::Restraints | create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const |
virtual kernel::ModelObjectsTemp | do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const |
virtual double | evaluate_if_good_index (kernel::Model *m, const kernel::ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const |
Compute the score and the derivative if needed. | |
double | evaluate_if_good_indexes (kernel::Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const |
virtual double | evaluate_index (kernel::Model *m, const kernel::ParticleIndexPair &p, DerivativeAccumulator *da) const |
Compute the score and the derivative if needed. | |
double | evaluate_indexes (kernel::Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const |
kernel::ParticlePairsTemp | get_close_pairs (const kernel::ParticlePair &pp) const |
virtual std::string | get_type_name () const |
virtual ::IMP::base::VersionInfo | get_version_info () const |
Get information about the module and version of the object. | |
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PairScore (std::string name="PairScore %1%") | |
Restraints | create_current_decomposition (kernel::Model *m, const ParticleIndexPair &vt) const |
virtual double | evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const |
Compute the score and the derivative if needed. More... | |
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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 |
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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 | |
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typedef ParticlePair | Argument |
typedef ParticleIndexPair | IndexArgument |
typedef PairModifier | Modifier |
typedef const ParticlePair & | PassArgument |
typedef const ParticleIndexPair & | PassIndexArgument |
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virtual Restraints | do_create_current_decomposition (kernel::Model *m, const ParticleIndexPair &vt) const |
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Object (std::string name) | |
Construct an object with the given name. More... | |
Object () | |
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.