gemmi::BondIndex struct
#include <gemmi/monlib.hpp>

Contents

Public types

struct AtomImage

Constructors, destructors, conversion operators

BondIndex(const Model& model_)

Public functions

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)
auto are_linked(const Atom& a, const Atom& b, bool same_image) const -> bool
auto graph_distance(const Atom& a, const Atom& b, bool same_image, int max_distance = 4) const -> int

Public variables

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