IMP Reference Guide
develop.63b38c487d,2024/12/21
The Integrative Modeling Platform
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Modify a surface orientation. More...
#include <IMP/core/SurfaceMover.h>
Modify a surface orientation.
The Surface is transformed via translation, rotation, and/or reflection.
If combined with a LateralSurfaceConstraint
, then only the normal component of the translation is kept.
Definition at line 37 of file SurfaceMover.h.
Public Member Functions | |
SurfaceMover (Model *m, ParticleIndex pi, Float max_translation, Float max_rotation, Float reflect_probability) | |
SurfaceMover (Surface s, Float max_translation, Float max_rotation, Float reflect_probability) | |
Float | get_maximum_rotation () const |
Get the maximum rotation. More... | |
Float | get_maximum_translation () const |
Get the maximum translation. More... | |
Float | get_reflect_probability () const |
Get the frequency of reflection moves. More... | |
Surface | get_surface () const |
Get the surface being moved. More... | |
virtual std::string | get_type_name () const override |
virtual ::IMP::VersionInfo | get_version_info () const override |
Get information about the module and version of the object. More... | |
void | set_maximum_rotation (Float mr) |
Set the maximum rotation in radians. More... | |
void | set_maximum_translation (Float mt) |
Set the maximum translation in angstroms. More... | |
void | set_reflect_probability (Float rp) |
Set the frequency of reflection moves. More... | |
Public Member Functions inherited from IMP::core::MonteCarloMover | |
MonteCarloMover (Model *m, std::string name) | |
void | accept () |
Accept/commit any changes made to the Particles. More... | |
MonteCarloMoverResult | propose () |
Propose a modification. More... | |
void | reject () |
Roll back any changes made to the Particles. More... | |
unsigned int | get_number_of_proposed () const |
unsigned int | get_number_of_accepted () const |
void | reset_statistics () |
Public Member Functions inherited from IMP::ModelObject | |
ModelObject (Model *m, std::string name) | |
bool | get_has_dependencies () const |
Return whether this object has dependencies computed. More... | |
bool | get_has_required_score_states () const |
Return whether score states are computed. More... | |
ModelObjectsTemp | get_inputs () const |
ModelObjectsTemps | get_interactions () const |
Get the interacting sets induced by this ModelObject. More... | |
Model * | get_model () const |
ModelObjectsTemp | get_outputs () const |
const ScoreStatesTemp & | get_required_score_states () const |
Get the score states that are ancestors of this in the dependency graph. More... | |
void | set_has_dependencies (bool tf) |
Either invalidate the dependencies or ensure they are correct. More... | |
void | set_has_required_score_states (bool tf) |
Compute the required score states. More... | |
Public Member Functions inherited from IMP::Object | |
virtual void | clear_caches () |
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 ModelObjectsTemp | do_get_inputs () const override |
virtual MonteCarloMoverResult | do_propose () override |
Implement propose_move() More... | |
virtual void | do_reject () override |
Implement reset_proposed_move() More... | |
Protected Member Functions inherited from IMP::core::MonteCarloMover | |
virtual void | do_accept () |
Implement accept_proposed_move(); default implementation is empty. More... | |
virtual ModelObjectsTemp | do_get_outputs () const override |
Protected Member Functions inherited from IMP::ModelObject | |
virtual ModelObjectsTemps | do_get_interactions () const |
virtual void | handle_set_has_required_score_states (bool) |
Protected Member Functions inherited from IMP::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
virtual void | do_destroy () |
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overrideprotectedvirtual |
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::ModelObject.
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overrideprotectedvirtual |
Implement propose_move()
Implements IMP::core::MonteCarloMover.
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overrideprotectedvirtual |
Implement reset_proposed_move()
Implements IMP::core::MonteCarloMover.
Float IMP::core::SurfaceMover::get_maximum_rotation | ( | ) | const |
Get the maximum rotation.
Definition at line 77 of file SurfaceMover.h.
Float IMP::core::SurfaceMover::get_maximum_translation | ( | ) | const |
Get the maximum translation.
Definition at line 74 of file SurfaceMover.h.
Float IMP::core::SurfaceMover::get_reflect_probability | ( | ) | const |
Get the frequency of reflection moves.
Definition at line 80 of file SurfaceMover.h.
Surface IMP::core::SurfaceMover::get_surface | ( | ) | const |
Get the surface being moved.
Definition at line 83 of file SurfaceMover.h.
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overridevirtual |
Get information about the module and version of the object.
Reimplemented from IMP::Object.
Definition at line 89 of file SurfaceMover.h.
void IMP::core::SurfaceMover::set_maximum_rotation | ( | Float | mr | ) |
Set the maximum rotation in radians.
void IMP::core::SurfaceMover::set_maximum_translation | ( | Float | mt | ) |
Set the maximum translation in angstroms.
void IMP::core::SurfaceMover::set_reflect_probability | ( | Float | rp | ) |
Set the frequency of reflection moves.