chemaxon.molecule

@dataclass(frozen=True)

class Molecule:

You can create Molecule by importing with chemaxon.io.importer.import_mol function

Molecule( _source: str, _format: str, _to_svg: Callable, bonds: tuple, atoms: tuple, native_handle: ctypes.c_long, _to_str: Callable)

bonds: tuple

tuple of bonds in the molecule

atoms: tuple

tuple of atoms in the molecule

native_handle: ctypes.c_long

Optional parameter, native cxn library call's result object

@dataclass(frozen=True)

class Atom:

Class representing atoms in a molecule

Atom(symbol: str, atom_number: int, mass_number: int, bonds: tuple)

symbol: str

Atom symbol

atom_number: int

Atomic number

mass_number: int

Mass number of the atom. 0 - if mixture of isotopes

bonds: tuple

Bonds of the atom

@dataclass(frozen=True)

class Bond:

Class representing bonds in a molecule

Bond(type: int, atoms: tuple)

type: int

The bond type

atoms: tuple

Indexes of the two atoms connected by this bond