 |
IMP
2.4.0
The Integrative Modeling Platform
|
|
IMP
2.4.0
The Integrative Modeling Platform
|
Accelerated computation of the distance between two rigid bodies. More...
#include <IMP/core/RigidBodyDistancePairScore.h>
Inheritance diagram for IMP::core::RigidBodyDistancePairScore:Accelerated computation of the distance between two rigid bodies.
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.
Public Member Functions | |
| RigidBodyDistancePairScore (PairScore *ps, Refiner *r) | |
| Public Member Functions inherited from IMP::core::KClosePairsPairScore | |
| 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. More... | |
| double | evaluate_if_good_indexes (kernel::Model *m, const kernel::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. More... | |
| double | evaluate_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const |
| Compute the score and the derivative if needed over a set. More... | |
| 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. More... | |
| Public Member Functions inherited from IMP::kernel::PairScore | |
| PairScore (std::string name="PairScore %1%") | |
| Restraints | create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const |
| virtual double | evaluate (const kernel::ParticlePair &vt, DerivativeAccumulator *da) const |
| Compute the score and the derivative if needed. 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::PairScore | |
| typedef kernel::ParticlePair | Argument |
| typedef kernel::ParticleIndexPair | IndexArgument |
| typedef PairModifier | Modifier |
|
typedef const kernel::ParticlePair & | PassArgument |
|
typedef const kernel::ParticleIndexPair & | PassIndexArgument |
| Protected Member Functions inherited from IMP::kernel::PairScore | |
| virtual Restraints | do_create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const |
| Protected Member Functions inherited from IMP::base::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
| virtual void | do_destroy () |
Use the passed refiner for both particles.