mdonatello.properties.HydrogenBondDonors

class mdonatello.properties.HydrogenBondDonors(mol: Mol)

A class for calculating the number of the hydrogen bond donors of a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule for which the number of hydrogen bond donors is being calculated.

Returns:

float

The number of hydrogen bond acceptors 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 hydrogen bond donors of the molecule.
values_format