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IMP
2.2.1
The Integrative Modeling Platform
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IMP
2.2.1
The Integrative Modeling Platform
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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 (kernel::Model *m, unsigned nsteps=100, Float timestep=1.) | |
| MolecularDynamics * | get_md () const |
| unsigned | get_number_of_md_steps () const |
| 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 | set_number_of_md_steps (unsigned nsteps) |
| Public Member Functions inherited from IMP::core::MonteCarloMover | |
| MonteCarloMover (kernel::Model *m, std::string name) | |
| void | accept () |
| Roll back any changes made to the kernel::Particles. | |
| MonteCarloMoverResult | propose () |
| propose a modification More... | |
| void | reject () |
| Roll back any changes made to the kernel::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 (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 Member Functions | |
| virtual kernel::ModelObjectsTemp | do_get_inputs () const |
| virtual core::MonteCarloMoverResult | do_propose () |
| Implement propose_move() | |
| virtual void | do_reject () |
| Implement reset_proposed_move() | |
| Protected Member Functions inherited from IMP::core::MonteCarloMover | |
| virtual void | do_accept () |
| Implement accept_proposed_move(), default impl is empty. | |
| virtual kernel::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... | |
Definition at line 22 of file MolecularDynamicsMover.h.
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protectedvirtual |
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.