core::chemical::RigidDistanceVisitor Class Reference

Utility visitor for find_nbr_dist Will only traverse those atoms in the "rigid" portion of graph around the starting atom. "Rigid" includes direct neighbors and atoms connected by non-rotatable bonds e.g. all rings, all double/triple bonds, methyl groups, single atoms, etc. More...

Inheritance diagram for core::chemical::RigidDistanceVisitor:

Public Member Functions
	RigidDistanceVisitor (VDDistanceMatrix &distances, MutableResidueType const &restype, VD start)
template<class ED , class ResidueGraphType >
bool	examine_edge (ED edge, ResidueGraphType &graph)
template<class VD , class ResidueGraphType >
bool	examine_vertex (VD vertex, ResidueGraphType &)
bool	is_nub (VD atom)

Private Attributes
VDDistanceMatrix &	distances_
MutableResidueType const &	restype_
VD	start_
Vector const &	start_pos_

Detailed Description

Utility visitor for find_nbr_dist Will only traverse those atoms in the "rigid" portion of graph around the starting atom. "Rigid" includes direct neighbors and atoms connected by non-rotatable bonds e.g. all rings, all double/triple bonds, methyl groups, single atoms, etc.

Constructor & Destructor Documentation

core::chemical::RigidDistanceVisitor::RigidDistanceVisitor ( VDDistanceMatrix &  distances, MutableResidueType const &  restype, VD  start  )

inline

Member Function Documentation

template<class ED , class ResidueGraphType >

bool core::chemical::RigidDistanceVisitor::examine_edge ( ED  edge, ResidueGraphType &  graph  )

inline

References core::chemical::MutableResidueType::atom(), core::chemical::MutableResidueType::bond(), core::chemical::BondInRing, distances_, core::chemical::DoubleBondOrder, core::chemical::Atom::ideal_xyz(), is_nub(), restype_, start_, start_pos_, and core::chemical::TripleBondOrder.

template<class VD , class ResidueGraphType >

bool core::chemical::RigidDistanceVisitor::examine_vertex ( VD  vertex, ResidueGraphType &    )

inline

References core::chemical::MutableResidueType::atom(), distances_, core::chemical::Atom::ideal_xyz(), restype_, start_, and start_pos_.

bool core::chemical::RigidDistanceVisitor::is_nub ( VD  atom )

inline

References core::chemical::MutableResidueType::atom(), core::chemical::MutableResidueType::bonded_neighbor_iterators(), core::chemical::element::C, core::chemical::Atom::element_type(), core::chemical::element::H, and restype_.

Referenced by examine_edge().

Member Data Documentation

VDDistanceMatrix& core::chemical::RigidDistanceVisitor::distances_

private

Referenced by examine_edge(), and examine_vertex().

MutableResidueType const& core::chemical::RigidDistanceVisitor::restype_

private

Referenced by examine_edge(), examine_vertex(), and is_nub().

VD core::chemical::RigidDistanceVisitor::start_

private

Referenced by examine_edge(), and examine_vertex().

Vector const& core::chemical::RigidDistanceVisitor::start_pos_

private

Referenced by examine_edge(), and examine_vertex().

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

• src/core/chemical/residue_support.cc