syndirella.error

error.py

Possible errors when using syndirella.

Exceptions

ChemicalErrorBase	Common base class for all non-exit exceptions.
MolError	Common base class for all non-exit exceptions.
SMARTSError	Common base class for all non-exit exceptions.
NoReactants	Common base class for all non-exit exceptions.
NoSynthesisRoute	Common base class for all non-exit exceptions.
ReactionError	Common base class for all non-exit exceptions.
ProductFormationError	Common base class for all non-exit exceptions.
ScaffoldPlacementError	Common base class for all non-exit exceptions.
PlacementError	Common base class for all non-exit exceptions.
NoScaffold	Common base class for all non-exit exceptions.
NoToHippo	Common base class for all non-exit exceptions.
APIQueryError	Common base class for all non-exit exceptions.

Module Contents

exception syndirella.error.ChemicalErrorBase(message: str, inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: Exception

Common base class for all non-exit exceptions.

message

inchi = None

smiles = None

mol = None

exception syndirella.error.MolError(route_uuid: str | None = None, message: str = 'Could not create a Chem.Mol object.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid = None

exception syndirella.error.SMARTSError(route_uuid: str | None = None, message: str = 'An error occurred with SMARTS handling.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid = None

exception syndirella.error.NoReactants(route_uuid: str | None = None, message: str = 'No reactants found for the reaction.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid = None

exception syndirella.error.NoSynthesisRoute(message: str = 'No synthesis route could be found.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

exception syndirella.error.ReactionError(route_uuid: str, message: str = 'An error occurred during the reaction.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid

exception syndirella.error.ProductFormationError(route_uuid: str, message: str = 'Failed to form the scaffold.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid

exception syndirella.error.ScaffoldPlacementError(route_uuid: str | None = None, message: str = 'Scaffold could not be successfully placed.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid = None

exception syndirella.error.PlacementError(route_uuid: str, message: str = 'Placement could not be successfully performed.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid

exception syndirella.error.NoScaffold(route_uuid: str, message: str = 'No scaffold could be found.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid

exception syndirella.error.NoToHippo(route_uuid: str, message: str = 'The to_hippo pickle file could not be successfully created.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid

exception syndirella.error.APIQueryError(message: str = 'The API query did not successfully return critical information.', inchi: str | None = None, smiles: str | None = None, mol: rdkit.Chem.Mol | None = None, route_uuid: str | None = None)

Bases: ChemicalErrorBase

Common base class for all non-exit exceptions.

route_uuid = None