IMP  2.0.0
The Integrative Modeling Platform
IMP::isd::MolecularDynamicsMover Class Reference

Modify a set of continuous variables using a MD simulation. More...

#include <IMP/isd/MolecularDynamicsMover.h>

+ Inheritance diagram for IMP::isd::MolecularDynamicsMover:

Public Member Functions

 MolecularDynamicsMover (Model *m, unsigned nsteps=100, Float timestep=1.)
 
virtual void do_show (std::ostream &out) const
 
MolecularDynamicsget_md () const
 
unsigned get_number_of_md_steps () const
 
void set_number_of_md_steps (unsigned nsteps)
 
- Public Member Functions inherited from IMP::core::Mover
 Mover (Model *m, std::string name)
 
virtual ParticlesTemp get_output_particles () const =0
 Return the set of particles over which moves can be proposed.
 
virtual ParticlesTemp propose_move (Float size)=0
 
virtual void reset_move ()=0
 Roll back any changes made to the Particles.
 
- Public Member Functions inherited from IMP::core::MonteCarloMover
 MonteCarloMover (Model *m, std::string name)
 
void accept ()
 Roll back any changes made to the Particles.
 
MonteCarloMoverResult propose ()
 propose a modification More...
 
void reject ()
 Roll back any changes made to the Particles.
 
unsigned int get_number_of_proposed () const
 
unsigned int get_number_of_accepted () const
 
void reset_statistics ()
 
- Public Member Functions inherited from IMP::kernel::ModelObject
 ModelObject (Model *m, std::string name)
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 
Modelget_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::core::Mover
virtual ModelObjectsTemp do_get_inputs () const
 
virtual MonteCarloMoverResult do_propose ()
 Implement propose_move()
 
virtual void do_reject ()
 Implement reset_proposed_move()
 

Detailed Description

See Also
MonteCarlo

Definition at line 23 of file MolecularDynamicsMover.h.


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