TDPModel

class specatalog.models.creation_pydantic_molecules.TDPModel(*, molecular_formula=None, additional_info=None, doublet, linker, chromophore, name_suffix=None)[source]

Pydantic model for creating new mol.TDP triplet–doublet–pair molecules.

This subclass of MoleculeModel adds fields specific to TDP molecules. The model_class attribute is fixed to mol.TDP and cannot be changed.

Parameters:

molecular_formula (str | None)
additional_info (str | None)
doublet (Doublets)
linker (Linker)
chromophore (Chromophores)
name_suffix (str | None)

model_class

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

Type:: Type

doublet

Enumeration specifying the doublet radical centre.

Type:: av.Doublets

linker

Enumeration defining the chemical linker connecting the doublet and chromophore.

Type:: av.Linker

chromophore

Enumeration specifying the chromophoric unit in the TDP system.

Type:: av.Chromophores

name

Computed property combining doublet linker and chromophore into a name (e.g., “PDI2-co-TEMPO3”).

Type:: str