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 |
| MolecularDynamics * | get_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 |
| 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::core::Mover | |
| virtual ModelObjectsTemp | do_get_inputs () const |
| virtual MonteCarloMoverResult | do_propose () |
| Implement propose_move() | |
| virtual void | do_reject () |
| Implement reset_proposed_move() | |
| Related Functions inherited from IMP::core::MonteCarloMover | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < MonteCarloMover > > | MonteCarloMoversTemp |
Detailed Description
- See Also
- MonteCarlo
Definition at line 23 of file MolecularDynamicsMover.h.
The documentation for this class was generated from the following file: