cagey.Precursors#

class cagey.Precursors(di_smiles, tri_smiles)[source]#

Bases: object

The precursors for a reaction.

Parameters:

  • di_smiles (str) – The SMILES string of the di-topic precursor.

  • tri_smiles (str) – The SMILES string of the tri-topic precursor.

Methods

Attributes

di_smiles

The SMILES string of the di-topic precursor.

tri_smiles

The SMILES string of the tri-topic precursor.
di_smiles: str#

The SMILES string of the di-topic precursor.

tri_smiles: str#

The SMILES string of the tri-topic precursor.