IMP  2.2.1
The Integrative Modeling Platform
IMP::core::RigidBodyTunneler Class Reference

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
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTempget_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...
 

Detailed Description

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.

See Also
RigidBodyMover
MonteCarlo

Definition at line 34 of file RigidBodyTunneler.h.

Constructor & Destructor Documentation

IMP::core::RigidBodyTunneler::RigidBodyTunneler ( kernel::Model m,
kernel::ParticleIndex  pi,
kernel::ParticleIndex  ref,
double  move_probability = 1. 
)

Constructor

Parameters
mthe model
pithe rigidbody to move
refthe rigidbody reference
move_probabilitythe prior probability to actually move somewhere else

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