Struct compound_bond

• Defined in File compound.hpp

Struct Documentation

struct compound_bond

struct containing information about the bonds

Public Members

std::string atom_id[2]

The ID’s of the two atoms that define the bond.

bond_type type

The bond order of the chemical bond associated with the specified atoms.

bool aromatic = false

Defines aromatic bonds.

bool stereo_config = false

Defines stereochemical bonds.