IMP::multifit::WeightedExcludedVolumeRestraint Class Reference
Calculate score based on fit to EM map.
#include <IMP/multifit/WeightedExcludedVolumeRestraint.h>
Inheritance diagram for IMP::multifit::WeightedExcludedVolumeRestraint:Public Member Functions | |
| WeightedExcludedVolumeRestraint (core::RigidBodies rbs, Refiner *refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) | |
| Constructor. More... | |
| unsigned int | add_particle (Particle *obj) |
| void | add_particles (const Particles &objs) |
| void | clear_particles () |
| virtual IMP::kernel::ModelObjectsTemp | do_get_inputs () const |
| bool | get_has_particles () |
| unsigned int | get_number_of_particles () const |
| Particle * | get_particle (unsigned int i) const |
| Particles | get_particles () const |
| void | remove_particle (Particle *d) |
| void | remove_particles (const Particles &d) |
| void | reserve_particles (unsigned int sz) |
| void | set_particles (const Particles &ps) |
| void | set_particles_order (const Particles &objs) |
| virtual double | unprotected_evaluate (IMP::kernel::DerivativeAccumulator *accum) const |
| Public Member Functions inherited from IMP::kernel::Restraint | |
| Restraint (Model *m, std::string name) | |
| void | add_score_and_derivatives (ScoreAccumulator sa) const |
| Restraint * | create_current_decomposition () const |
| Decompose this restraint into constituent terms for the current conf. More... | |
| Restraint * | create_decomposition () const |
| Decompose this restraint into constituent terms. More... | |
| virtual ScoringFunction * | create_scoring_function (double weight=1.0, double max=NO_MAX) const |
| ContainersTemp | get_input_containers () const |
| ParticlesTemp | get_input_particles () const |
| virtual double | get_last_score () const |
| double | get_score () const |
| bool | get_was_good () const |
| void | set_weight (Float weight) |
| Float | get_weight () const |
| double | get_maximum_score () const |
| void | set_maximum_score (double s) |
| Public Member Functions inherited from IMP::kernel::ModelObject | |
| ModelObject (Model *m, std::string name) | |
| ModelObjectsTemp | get_inputs () const |
| ModelObjectsTemps | get_interactions () const |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () 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 | |
| Protected Member Functions inherited from IMP::kernel::Restraint | |
| virtual void | do_add_score_and_derivatives (ScoreAccumulator sa) const |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| ModelObjectsTemp | do_get_outputs () const |
| virtual void | do_update_dependencies () |
| Related Functions inherited from IMP::kernel::Restraint | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Restraint > > | RestraintsTemp |
Detailed Description
Definition at line 30 of file WeightedExcludedVolumeRestraint.h.
Constructor & Destructor Documentation
| IMP::multifit::WeightedExcludedVolumeRestraint::WeightedExcludedVolumeRestraint | ( | core::RigidBodies | rbs, |
| Refiner * | refiner, | ||
| FloatKey | weight_key = IMP::atom::Mass::get_mass_key() |
||
| ) |
- Parameters
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[in] rbs Excluded volume will be calculated between these Rigid bodies [in] refiner rigid body refiner [in] weight_key the name of the weight attribute of the particles
- Note
- Particles that are rigid-bodies are interpolated and not resampled. This significantly reduces the running time but is less accurate.
Member Function Documentation
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virtual |
Override if this reads other objects during evaluate.
Implements IMP::kernel::ModelObject.
The documentation for this class was generated from the following file: