mdonatello.properties.Property

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

Base class for representing a property of a molecule.

Parameters:

molChem.Mol

RDKit Mol object for the molecule for which the property is being calculated.

Returns:

repr_strstr

HTML-formatted string representation of the property name and value.

__init__(mol: Mol)[source]

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

Abstract method to be implemented by subclasses to calculate the property value.

values_format