Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover Class Reference

class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions More...

#include <JumpRotamerSidechainMover.hh>

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List of all members.

Public Types

typedef
PerturbRotamerSidechainMover 
Parent

Public Member Functions

 JumpRotamerSidechainMover ()
 default constructor
 JumpRotamerSidechainMover (core::pack::dunbrack::RotamerLibrary const &rotamer_library)
 constructor with user provided rotamer library
 JumpRotamerSidechainMover (JumpRotamerSidechainMover const &mover)
virtual protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual void parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &data, protocols::filters::Filters_map const &filters, protocols::moves::Movers_map const &movers, core::pose::Pose const &pose)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
virtual core::Real compute_proposal_density (core::conformation::Residue const &new_residue, core::Size const resnum, core::chemical::ResidueType const &old_res_type, ChiVector const &old_chi) const
 all angles in degree
virtual void make_chi_move (core::conformation::Residue const &residue, ChiVector const &old_chi, ChiVector &new_chi)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.

Protected Member Functions

void set_defaults ()
void compute_tempered_rotamer_probabilities (RotamerList const &, core::Real temperature, utility::vector1< core::Real > &prob, core::Real &normalize) const
void compute_rotdensities (RotamerList const &, ChiVector const &new_chi, core::Real &rot_density) const

Detailed Description

class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::JumpRotamerSidechainMover ( )

default constructor

References protocols::moves::Mover::type().

Referenced by clone().

protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::JumpRotamerSidechainMover ( core::pack::dunbrack::RotamerLibrary const &  rotamer_library)

constructor with user provided rotamer library

References set_defaults().

protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::JumpRotamerSidechainMover ( JumpRotamerSidechainMover const &  mover)

References set_defaults().


Member Function Documentation

protocols::moves::MoverOP protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::clone ( ) const [virtual]

clone has to be overridden only if clone invocation is expected.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover.

References JumpRotamerSidechainMover().

virtual core::Real protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::compute_proposal_density ( core::conformation::Residue const &  new_residue,
core::Size const  resnum,
core::chemical::ResidueType const &  old_res_type,
ChiVector const &  old_chi 
) const [virtual]
void protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::compute_rotdensities ( RotamerList const &  rotamers,
ChiVector const &  new_chi,
core::Real rot_density 
) const [protected]
void protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::compute_tempered_rotamer_probabilities ( RotamerList const &  rotamers,
core::Real  temperature,
utility::vector1< core::Real > &  prob,
core::Real normalize 
) const [protected]
std::string protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Reimplemented from protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover.

void protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::make_chi_move ( core::conformation::Residue const &  residue,
ChiVector const &  old_chi,
ChiVector new_chi 
) [virtual]
void protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
) [virtual]

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::simple_moves::sidechain_moves::PerturbRotamerSidechainMover.

void protocols::simple_moves::sidechain_moves::JumpRotamerSidechainMover::set_defaults ( ) [protected]

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