gemmi::BondIndex Struct Reference

#include <bond_idx.hpp>

Classes
struct	AtomImage

Public Member Functions
	BondIndex (const Model &model_)
void	add_oneway_link (const Atom &a, const Atom &b, bool same_image)
void	add_link (const Atom &a, const Atom &b, bool same_image)
void	add_monomer_bonds (MonLib &monlib)
bool	are_linked (const Atom &a, const Atom &b, bool same_image) const
int	graph_distance (const Atom &a, const Atom &b, bool same_image, int max_distance=4) const

Public Attributes
const Model &	model
std::map< int, std::vector< AtomImage > >	index

Detailed Description

Definition at line 14 of file bond_idx.hpp.

Constructor & Destructor Documentation

BondIndex()

gemmi::BondIndex::BondIndex ( const Model &  model_ )

inline

Definition at line 26 of file bond_idx.hpp.

Member Function Documentation

add_oneway_link()

void gemmi::BondIndex::add_oneway_link ( const Atom &  a, const Atom &  b, bool  same_image  )

inline

Definition at line 32 of file bond_idx.hpp.

add_link()

void gemmi::BondIndex::add_link ( const Atom &  a, const Atom &  b, bool  same_image  )

inline

Definition at line 39 of file bond_idx.hpp.

add_monomer_bonds()

void gemmi::BondIndex::add_monomer_bonds ( MonLib &  monlib )

inline

Definition at line 47 of file bond_idx.hpp.

are_linked()

bool gemmi::BondIndex::are_linked ( const Atom &  a, const Atom &  b, bool  same_image  ) const

inline

Definition at line 68 of file bond_idx.hpp.

graph_distance()

int gemmi::BondIndex::graph_distance ( const Atom &  a, const Atom &  b, bool  same_image, int  max_distance = 4  ) const

inline

Definition at line 72 of file bond_idx.hpp.

Member Data Documentation

model

const Model& gemmi::BondIndex::model

Definition at line 15 of file bond_idx.hpp.

index

std::map<int, std::vector<AtomImage> > gemmi::BondIndex::index

Definition at line 24 of file bond_idx.hpp.

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

• /home/wojdyr/gemmi/gemmi/include/gemmi/bond_idx.hpp