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IMP
2.2.0
The Integrative Modeling Platform
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IMP
2.2.0
The Integrative Modeling Platform
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Ensure the radius of gyration of particles fits the predicted one. More...
#include <IMP/multifit/RadiusOfGyrationRestraint.h>
Inheritance diagram for IMP::multifit::RadiusOfGyrationRestraint:Public Member Functions | |
| RadiusOfGyrationRestraint (kernel::Particles ps, int num_residues, Float scale=1.) | |
| Constructor. More... | |
| unsigned int | add_particle (kernel::Particle *obj) |
| void | add_particles (const kernel::Particles &objs) |
| void | clear_particles () |
| virtual IMP::kernel::ModelObjectsTemp | do_get_inputs () const |
| bool | get_has_particles () |
| unsigned int | get_number_of_particles () const |
| kernel::Particle * | get_particle (unsigned int i) const |
| kernel::Particles | get_particles () const |
| Float | get_radius_of_gyration () |
| Get the predicted radius of gyration used in the restraint. | |
| 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. | |
| void | remove_particle (kernel::Particle *d) |
| void | remove_particles (const kernel::Particles &d) |
| void | reserve_particles (unsigned int sz) |
| void | set_particles (const kernel::Particles &ps) |
| void | set_particles_order (const kernel::Particles &objs) |
| void | set_radius_of_gyration (Float r) |
| Set the predicted radius of gyration used in the restraint. | |
| virtual double | unprotected_evaluate (IMP::kernel::DerivativeAccumulator *accum) const |
| Public Member Functions inherited from IMP::kernel::Restraint | |
| Restraint (kernel::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 |
| 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 (kernel::Model *m, std::string name) | |
| bool | get_has_dependencies () const |
| Return whether this object has dependencies computed. | |
| bool | get_has_required_score_states () const |
| ModelObjectsTemp | get_inputs () const |
| ModelObjectsTemps | get_interactions () const |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () const |
| const ScoreStatesTemp & | get_required_score_states () const |
| void | set_has_dependencies (bool tf) |
| void | set_has_required_score_states (bool tf) |
| Public Member Functions inherited from IMP::base::Object | |
| 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) |
Protected Attributes | |
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base::Pointer < core::HarmonicUpperBound > | hub_ |
| kernel::Model * | mdl_ |
| Float | predicted_rog_ |
| Float | scale_ |
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 |
| Protected Member Functions inherited from IMP::kernel::ModelObject | |
| virtual ModelObjectsTemps | do_get_interactions () const |
| virtual void | handle_set_has_required_score_states (bool) |
| Protected Member Functions inherited from IMP::base::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
/note a harmonic upper bound is applied between the predicted radius and the actual radius
Definition at line 27 of file multifit/RadiusOfGyrationRestraint.h.
| IMP::multifit::RadiusOfGyrationRestraint::RadiusOfGyrationRestraint | ( | kernel::Particles | ps, |
| int | num_residues, | ||
| Float | scale = 1. |
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| ) |
| [in] | ps | the particles to work on |
| [in] | num_residues | the number of residues the particles represent |
| [in] | scale | allow the radius of gyration of the particles to be at most scale times the predicted one |
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virtual |
Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.
Implements IMP::kernel::ModelObject.