SingleMoleculeModel

class specatalog.models.creation_pydantic_molecules.SingleMoleculeModel(*, molecular_formula=None, additional_info=None, name)

Pydantic model for creating new mol.SingleMolecule molecules.

This subclass of MoleculeModel adds fields specific to single- molecule entries. The model_class attribute is fixed to mol.SingleMolecule and cannot be changed.

Parameters:

• molecular_formula (str | None)

• additional_info (str | None)

• name (str)

model_class

Always set to mol.SingleMolecule. Attempting to assign a different class raises a validation error.

Type:

Type

name

Human-readable name of the molecule. Must be unique.

Type:

str