Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::BB_Pos Class Reference

#include <SS_Info.hh>

Public Member Functions

void resize (int const nres)
 
void take_coordinates_from_pose (pose::Pose const &pose)
 
Vector const & N (int const i) const
 
Vector const & CA (int const i) const
 
Vector const & CB (int const i) const
 
Vector const & C (int const i) const
 
Vector const & O (int const i) const
 

Private Member Functions

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

Private Attributes

utility::vector1< VectorN_
 
utility::vector1< VectorCA_
 
utility::vector1< VectorCB_
 
utility::vector1< VectorC_
 
utility::vector1< VectorO_
 
utility::vector1
< chemical::ResidueTypeCOP
residue_types_
 
utility::vector1< SizeN_index_
 
utility::vector1< SizeCA_index_
 
utility::vector1< SizeCB_index_
 
utility::vector1< SizeC_index_
 
utility::vector1< SizeO_index_
 

Member Function Documentation

bool core::scoring::BB_Pos::bbindices_up_to_date ( pose::Pose const &  pose) const
private
Vector const& core::scoring::BB_Pos::C ( int const  i) const
inline

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

References C_.

Referenced by core::scoring::SecondaryStructurePotential::helix_end(), and core::scoring::SecondaryStructurePotential::pair_dp().

Vector const& core::scoring::BB_Pos::CA ( int 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 core::scoring::SecondaryStructurePotential::helix_end().

Vector const& core::scoring::BB_Pos::CB ( int const  i) const
inline

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

References CB_.

Vector const& core::scoring::BB_Pos::N ( int 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 core::scoring::SecondaryStructurePotential::helix_end().

Vector const& core::scoring::BB_Pos::O ( int 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 core::scoring::SecondaryStructurePotential::pair_dp().

void core::scoring::BB_Pos::resize ( int 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 core::scoring::SS_Info::resize(), and update_indices().

void core::scoring::BB_Pos::take_coordinates_from_pose ( 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::size(), and update_indices().

Referenced by core::scoring::fill_bb_pos().

void core::scoring::BB_Pos::update_indices ( pose::Pose const &  pose)
private

Member Data Documentation

utility::vector1< Vector > core::scoring::BB_Pos::C_
private
utility::vector1< Size > core::scoring::BB_Pos::C_index_
private
utility::vector1< Vector > core::scoring::BB_Pos::CA_
private
utility::vector1< Size > core::scoring::BB_Pos::CA_index_
private
utility::vector1< Vector > core::scoring::BB_Pos::CB_
private
utility::vector1< Size > core::scoring::BB_Pos::CB_index_
private
utility::vector1< Vector > core::scoring::BB_Pos::N_
private
utility::vector1< Size > core::scoring::BB_Pos::N_index_
private
utility::vector1< Vector > core::scoring::BB_Pos::O_
private
utility::vector1< Size > core::scoring::BB_Pos::O_index_
private
utility::vector1< chemical::ResidueTypeCOP > core::scoring::BB_Pos::residue_types_
private

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

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


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