core::scoring::BB_Pos Class Reference

#include <SS_Info.hh>

Collaboration diagram for core::scoring::BB_Pos:

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< Vector >	N_
utility::vector1< Vector >	CA_
utility::vector1< Vector >	CB_
utility::vector1< Vector >	C_
utility::vector1< Vector >	O_
utility::vector1 < chemical::ResidueType const * >	residue_types_
utility::vector1< Size >	N_index_
utility::vector1< Size >	CA_index_
utility::vector1< Size >	CB_index_
utility::vector1< Size >	C_index_
utility::vector1< Size >	O_index_

Detailed Description

Definition at line 48 of file SS_Info.hh.

Member Function Documentation

bool core::scoring::BB_Pos::bbindices_up_to_date ( pose::Pose const &  pose) const

private

Definition at line 92 of file SS_Info.cc.

References N_, core::pose::Pose::residue_type(), residue_types_, and core::pose::Pose::total_residue().

Referenced by take_coordinates_from_pose().

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.

Definition at line 83 of file SS_Info.hh.

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.

Definition at line 68 of file SS_Info.hh.

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.

Definition at line 75 of file SS_Info.hh.

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.

Definition at line 61 of file SS_Info.hh.

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.

Definition at line 90 of file SS_Info.hh.

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.

Definition at line 35 of file SS_Info.cc.

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!)

Definition at line 57 of file SS_Info.cc.

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 core::scoring::fill_bb_pos().

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

private

Definition at line 103 of file SS_Info.cc.

References core::chemical::aa_gly, C_index_, CA_index_, CB_index_, N_index_, O_index_, core::pose::Pose::residue(), residue_types_, resize(), and core::pose::Pose::total_residue().

Referenced by take_coordinates_from_pose().

Member Data Documentation

utility::vector1< Vector > core::scoring::BB_Pos::C_

private

Definition at line 105 of file SS_Info.hh.

Referenced by C(), resize(), and take_coordinates_from_pose().

utility::vector1< Size > core::scoring::BB_Pos::C_index_

private

Definition at line 114 of file SS_Info.hh.

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

utility::vector1< Vector > core::scoring::BB_Pos::CA_

private

Definition at line 103 of file SS_Info.hh.

Referenced by CA(), resize(), and take_coordinates_from_pose().

utility::vector1< Size > core::scoring::BB_Pos::CA_index_

private

Definition at line 112 of file SS_Info.hh.

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

utility::vector1< Vector > core::scoring::BB_Pos::CB_

private

Definition at line 104 of file SS_Info.hh.

Referenced by CB(), resize(), and take_coordinates_from_pose().

utility::vector1< Size > core::scoring::BB_Pos::CB_index_

private

Definition at line 113 of file SS_Info.hh.

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

utility::vector1< Vector > core::scoring::BB_Pos::N_

private

Definition at line 102 of file SS_Info.hh.

Referenced by bbindices_up_to_date(), N(), resize(), and take_coordinates_from_pose().

utility::vector1< Size > core::scoring::BB_Pos::N_index_

private

Definition at line 111 of file SS_Info.hh.

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

utility::vector1< Vector > core::scoring::BB_Pos::O_

private

Definition at line 106 of file SS_Info.hh.

Referenced by O(), resize(), and take_coordinates_from_pose().

utility::vector1< Size > core::scoring::BB_Pos::O_index_

private

Definition at line 115 of file SS_Info.hh.

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

utility::vector1< chemical::ResidueType const * > core::scoring::BB_Pos::residue_types_

private

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

Definition at line 110 of file SS_Info.hh.

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

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

• src/core/scoring/SS_Info.hh
• src/core/scoring/SS_Info.cc