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IMP Reference Guide  develop.d247202c1c,2019/10/23
The Integrative Modeling Platform
IMP::core::MonteCarloMover Class Referenceabstract

A base class for classes which perturb particles. More...

#include <IMP/core/MonteCarloMover.h>

+ Inheritance diagram for IMP::core::MonteCarloMover:

Detailed Description

A base class for classes which perturb particles.

Mover objects propose a move, which can then be either accepted or rejected based on some criteria. Most commonly this is a Monte Carlo evaluation scheme.

All changed attributes should be optimizable; it is undefined behavior to try to optimize an attribute which is not.

The output particles (ModelObject::do_get_outputs()) are assumed to be equal to the inputs (ModelObject::do_get_inputs()).

Definition at line 42 of file MonteCarloMover.h.

Public Member Functions

 MonteCarloMover (Model *m, std::string name)
 
void accept ()
 Accept/commit any changes made to the Particles. More...
 
MonteCarloMoverResult propose ()
 Propose a modification. More...
 
void reject ()
 Roll back any changes made to the Particles. More...
 
- Public Member Functions inherited from IMP::ModelObject
 ModelObject (Model *m, std::string name)
 
bool get_has_dependencies () const
 Return whether this object has dependencies computed. More...
 
bool get_has_required_score_states () const
 Return whether score states are computed. More...
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 Get the interacting sets induced by this ModelObject. More...
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTempget_required_score_states () const
 Get the score states that are ancestors of this in the dependency graph. More...
 
void set_has_dependencies (bool tf)
 Either invalidate the dependencies or ensure they are correct. More...
 
void set_has_required_score_states (bool tf)
 Compute the required score states. More...
 
- Public Member Functions inherited from IMP::Object
virtual void clear_caches ()
 
CheckLevel get_check_level () const
 
LogLevel get_log_level () const
 
virtual VersionInfo get_version_info () const
 Get information about the module and version of the object. More...
 
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)
 
virtual std::string get_type_name () const
 

Protected Member Functions

virtual void do_accept ()
 Implement accept_proposed_move(); default implementation is empty. More...
 
virtual ModelObjectsTemp do_get_outputs () const
 
virtual MonteCarloMoverResult do_propose ()=0
 Implement propose_move() More...
 
virtual void do_reject ()=0
 Implement reset_proposed_move() More...
 
- Protected Member Functions inherited from IMP::ModelObject
virtual ModelObjectsTemp do_get_inputs () const =0
 
virtual ModelObjectsTemps do_get_interactions () const
 
virtual void handle_set_has_required_score_states (bool)
 
- Protected Member Functions inherited from IMP::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Statistics

Movers keep track of some statistics as they are used.

unsigned int get_number_of_proposed () const
 
unsigned int get_number_of_accepted () const
 
void reset_statistics ()
 

Member Function Documentation

void IMP::core::MonteCarloMover::accept ( )

Accept/commit any changes made to the Particles.

Definition at line 77 of file MonteCarloMover.h.

virtual void IMP::core::MonteCarloMover::do_accept ( )
protectedvirtual

Implement accept_proposed_move(); default implementation is empty.

Reimplemented in IMP::core::SubsetMover, and IMP::core::SerialMover.

Definition at line 102 of file MonteCarloMover.h.

virtual ModelObjectsTemp IMP::core::MonteCarloMover::do_get_outputs ( ) const
protectedvirtual

Get any Particle, Container or other ModelObjects changed by this during evaluation. This is only useful for ScoreStates, at the moment.

Implements IMP::ModelObject.

Definition at line 104 of file MonteCarloMover.h.

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MonteCarloMoverResult IMP::core::MonteCarloMover::propose ( )

Propose a modification.

The method should return the list of all particles that were actually moved and the ratio between the backward move probability and the forward move probability (for Metropolis-Hastings moves). Just return 1.0 for this value if you are not sure.

Definition at line 56 of file MonteCarloMover.h.

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void IMP::core::MonteCarloMover::reject ( )

Roll back any changes made to the Particles.

Definition at line 69 of file MonteCarloMover.h.


The documentation for this class was generated from the following file: