Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Types | Public Member Functions | Private Attributes | List of all members
protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber Class Reference

vicinity sampling kinematic perturber More...

#include <KinematicPerturber.hh>

Inheritance diagram for protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber:
Inheritance graph
[legend]

Public Types

typedef KinematicPerturber parent
 

Public Member Functions

 VicinitySamplingKinematicPerturber (KinematicMoverCAP kinmover_in)
 
 ~VicinitySamplingKinematicPerturber () override
 
std::string perturber_type () const override
 
void perturb_chain (core::pose::Pose const &pose, utility::vector1< core::Real > &torsions, utility::vector1< core::Real > &bond_ang, utility::vector1< core::Real > &) override
 varies torsions always and bond angles sometimes. Currently torsion varying will respect a movemap if present; angles do NOT look for a movemap. – note that the analytic closure and pivot selection currently do not respect movemaps though More...
 
void set_pose_after_closure (core::pose::Pose &pose, utility::vector1< core::Real > const &torsions, utility::vector1< core::Real > const &bond_ang, utility::vector1< core::Real > const &bond_len, bool closure_successful) const override
 after the kinmover has closed the loop, the perturber needs to put the solutions into the pose note: the base class version of this function sets the torsions, so any KinematicPerturber that only changes the torsions will not have to implement this function More...
 
void set_vary_ca_bond_angles (bool vary_ca_bond_angles)
 
void set_degree_vicinity (core::Real degree_vicinity)
 
- Public Member Functions inherited from protocols::loops::loop_closure::kinematic_closure::KinematicPerturber
 KinematicPerturber ()
 
 ~KinematicPerturber () override
 
void set_kinmover (KinematicMoverCAP kinmover)
 
void set_movemap (core::kinematics::MoveMapCOP mm)
 
core::kinematics::MoveMapCOP get_movemap () const
 
virtual bool perturber_exhausted () const
 
void set_max_sample_iterations (core::Size sample_its)
 
core::Size max_sample_iterations () const
 
void clear_torsion_string_stack ()
 
KinematicMoverCAP kinmover () const
 

Private Attributes

bool vary_ca_bond_angles_
 
core::Real degree_vicinity_
 
bool sample_omega_for_pre_prolines_
 

Detailed Description

vicinity sampling kinematic perturber

Author
Amelie Stein (just the refactoring)

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::VicinitySamplingKinematicPerturber ( KinematicMoverCAP  kinmover_in)
protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::~VicinitySamplingKinematicPerturber ( )
overridedefault

Member Function Documentation

void protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::perturb_chain ( core::pose::Pose const &  pose,
utility::vector1< core::Real > &  torsions,
utility::vector1< core::Real > &  bond_ang,
utility::vector1< core::Real > &   
)
overridevirtual

varies torsions always and bond angles sometimes. Currently torsion varying will respect a movemap if present; angles do NOT look for a movemap. – note that the analytic closure and pivot selection currently do not respect movemaps though

small variation around the starting phi/psi angles – order of magnitude is determined by degree_vicinity_

Implements protocols::loops::loop_closure::kinematic_closure::KinematicPerturber.

References degree_vicinity_, protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap(), protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover(), core::pose::Pose::phi(), core::pose::Pose::psi(), core::scoring::rg, and vary_ca_bond_angles_.

std::string protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::perturber_type ( ) const
inlineoverridevirtual
void protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::set_degree_vicinity ( core::Real  degree_vicinity)
inline

References degree_vicinity_.

void protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::set_pose_after_closure ( core::pose::Pose pose,
utility::vector1< core::Real > const &  torsions,
utility::vector1< core::Real > const &  ,
utility::vector1< core::Real > const &  ,
bool   
) const
overridevirtual
void protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::set_vary_ca_bond_angles ( bool  vary_ca_bond_angles)
inline

References vary_ca_bond_angles_.

Member Data Documentation

core::Real protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::degree_vicinity_
private
bool protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::sample_omega_for_pre_prolines_
private
bool protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::vary_ca_bond_angles_
private

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