mdonatello.properties.Stereocenters

class mdonatello.properties.Stereocenters(mol: Mol)[source]

A class for calculating the number of stereocenters of a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule for which the number of stereocenters is being calculated.

Returns:

float

The number of stereocenters of the molecule.

__init__(mol: Mol)

Initializes the Property class with a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule.

Methods

__init__(mol)

Initializes the Property class with a molecule.

Attributes

name

property_value

Calculates the number of stereocenters of the molecule.

values_format