chemaxon.molecule

@dataclass(frozen=True)

class Molecule:

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

Attributes

mrv: str Mrv source of the molecule. If cmolecule is specified it's not considered. mrv_to_svg: svg converter function cmolecule: _CMolecule Optional parameter, native cxn library call's result object

Molecule(_mrv: str, _mrv_to_svg: Callable, bonds: tuple, atoms: tuple)

bonds: tuple

atoms: tuple

@dataclass(frozen=True)

class Atom:

Class representing atoms in a molecule.

Attributes:

symbol : str Atom symbol. atom_number : int Atomic number. mass_number: int Mass number of the atom. 0 - if mixture of isotopes. bond: tuple Bonds of the atom.

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

symbol: str

atom_number: int

mass_number: int

bonds: tuple

@dataclass(frozen=True)

class Bond:

Class representing bonds in a molecule.

Attributes:

type : str The bond type. atoms : tuple Indexes of the two atoms connected by this bond.

Bond(type: str, atoms: tuple)

type: str

atoms: tuple