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protocols::fldsgn::topology::BB_Pos Class Reference

#include <BB_Pos.hh>

Collaboration diagram for protocols::fldsgn::topology::BB_Pos:
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Public Member Functions

void resize (Size const nres)
 
void clear ()
 
void take_coordinates_from_pose (Pose const &pose)
 
Vector const & N (Size const i) const
 
Vector const & CA (Size const i) const
 
Vector const & CB (Size const i) const
 
Vector const & C (Size const i) const
 
Vector const & O (Size const i) const
 
Size size () const
 @ More...
 

Private Types

typedef core::Size Size
 
typedef core::Vector Vector
 
typedef core::pose::Pose Pose
 

Private Member Functions

bool bbindices_up_to_date (Pose const &pose) const
 
void update_indices (Pose const &pose)
 

Private Attributes

utility::vector1< VectorN_
 
utility::vector1< VectorCA_
 
utility::vector1< VectorCB_
 
utility::vector1< VectorC_
 
utility::vector1< VectorO_
 
utility::vector1
< core::chemical::ResidueType
const * > 
residue_types_
 
utility::vector1< SizeN_index_
 
utility::vector1< SizeCA_index_
 
utility::vector1< SizeCB_index_
 
utility::vector1< SizeC_index_
 
utility::vector1< SizeO_index_
 

Member Typedef Documentation

Member Function Documentation

bool protocols::fldsgn::topology::BB_Pos::bbindices_up_to_date ( Pose const &  pose) const
private
Vector const& protocols::fldsgn::topology::BB_Pos::C ( Size const  i) const
inline
Vector const& protocols::fldsgn::topology::BB_Pos::CA ( Size const  i) const
inline

accessor for CA's coordinate on residue i, requires take_coordinates_from_pose have been recently called.

References CA_.

Referenced by protocols::fldsgn::topology::Helix::calc_geometry(), and protocols::fldsgn::potentials::sspot::HSPairPotential::helix_end().

Vector const& protocols::fldsgn::topology::BB_Pos::CB ( Size const  i) const
inline

accessor for CB's coordinate on residue i, requires take_coordinates_from_pose have been recently called.

References CB_.

void protocols::fldsgn::topology::BB_Pos::clear ( )

. After a change in size, the residue types and the integer indices are all wrong. Erase the old information.

References C_, C_index_, CA_, CA_index_, CB_, CB_index_, N_, N_index_, O_, O_index_, and residue_types_.

Referenced by protocols::fldsgn::topology::SS_Info2::clear_data().

Vector const& protocols::fldsgn::topology::BB_Pos::N ( Size const  i) const
inline

accessor for N's coordinate on residue i, requires take_coordinates_from_pose have been recently called.

References N_.

Referenced by protocols::fldsgn::topology::Strand::calc_geometry(), protocols::fldsgn::topology::Helix::calc_geometry(), and protocols::fldsgn::potentials::sspot::HSPairPotential::helix_end().

Vector const& protocols::fldsgn::topology::BB_Pos::O ( Size const  i) const
inline

accessor for O's coordinate on residue i, requires take_coordinates_from_pose have been recently called.

References O_.

Referenced by protocols::fldsgn::potentials::sspot::SSPairPotential::pair_dp(), and protocols::fldsgn::potentials::sspot::NatbiasStrandPairPotential::pair_dp().

void protocols::fldsgn::topology::BB_Pos::resize ( Size const  nres)

. After a change in size, the residue types and the integer indices are all wrong. Erase the old information.

References C_, C_index_, CA_, CA_index_, CB_, CB_index_, N_, N_index_, O_, O_index_, and residue_types_.

Referenced by protocols::fldsgn::topology::SS_Info2::resize(), and update_indices().

Size protocols::fldsgn::topology::BB_Pos::size ( ) const
inline
void protocols::fldsgn::topology::BB_Pos::take_coordinates_from_pose ( Pose const &  pose)

: Optimize the common case where the sequence of the pose is not changing from score function evaluation to evaluation (e.g. abinitio!)

References core::chemical::aa_gly, bbindices_up_to_date(), C_, C_index_, CA_, CA_index_, CB_, CB_index_, N_, N_index_, O_, O_index_, core::pose::Pose::residue(), core::pose::Pose::total_residue(), and update_indices().

Referenced by protocols::fldsgn::topology::SS_Info2::initialize(), and protocols::fldsgn::topology::SS_Info2::set_SSorient().

void protocols::fldsgn::topology::BB_Pos::update_indices ( Pose const &  pose)
private

Member Data Documentation

utility::vector1< Vector > protocols::fldsgn::topology::BB_Pos::C_
private
utility::vector1< Size > protocols::fldsgn::topology::BB_Pos::C_index_
private
utility::vector1< Vector > protocols::fldsgn::topology::BB_Pos::CA_
private
utility::vector1< Size > protocols::fldsgn::topology::BB_Pos::CA_index_
private
utility::vector1< Vector > protocols::fldsgn::topology::BB_Pos::CB_
private
utility::vector1< Size > protocols::fldsgn::topology::BB_Pos::CB_index_
private
utility::vector1< Vector > protocols::fldsgn::topology::BB_Pos::N_
private
utility::vector1< Size > protocols::fldsgn::topology::BB_Pos::N_index_
private
utility::vector1< Vector > protocols::fldsgn::topology::BB_Pos::O_
private
utility::vector1< Size > protocols::fldsgn::topology::BB_Pos::O_index_
private
utility::vector1< core::chemical::ResidueType const * > protocols::fldsgn::topology::BB_Pos::residue_types_
private

Residue types must match those of the pose for the indices to match.

Referenced by bbindices_up_to_date(), clear(), resize(), size(), and update_indices().


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