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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 the transformation of a rigid body. More...
#include <IMP/core/RigidBodyTunneler.h>
Inheritance diagram for IMP::core::RigidBodyTunneler:Public Member Functions | |
| RigidBodyTunneler (kernel::Model *m, kernel::ParticleIndex pi, kernel::ParticleIndex ref, double move_probability=1.) | |
| void | add_entry_point (double x, double y, double z) |
| add entry point in cartesian space | |
| 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. | |
| 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) |
Static Public Member Functions | |
| static Floats | get_reduced_coordinates (kernel::Model *m, kernel::ParticleIndex target, kernel::ParticleIndex ref) |
| returns center of mass coordinates and quaternion of rotation wrt ref | |
| static Floats | get_reduced_coordinates (kernel::Model *m, kernel::ParticleIndex pi) |
| returns center of mass coordinates and quaternion of rotation of pi | |
Protected Member Functions | |
| virtual kernel::ModelObjectsTemp | do_get_inputs () const |
| sets rigid body coordinates in the reference frame of ref | |
| virtual 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... | |
Provided a number of entry points in cartesian space, this mover will propose random translations of the rigid body from the closest entry point to a randomly chosen other one. This way of moving thus satisfies detailed balance. Entry points are relative to the center of the provided reference rigid body.
Definition at line 34 of file RigidBodyTunneler.h.
| IMP::core::RigidBodyTunneler::RigidBodyTunneler | ( | kernel::Model * | m, |
| kernel::ParticleIndex | pi, | ||
| kernel::ParticleIndex | ref, | ||
| double | move_probability = 1. |
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| ) |
Constructor
| m | the model |
| pi | the rigidbody to move |
| ref | the rigidbody reference |
| move_probability | the prior probability to actually move somewhere else |