rxn.chemutils.smiles_randomization.randomize_smiles_restricted
- rxn.chemutils.smiles_randomization.randomize_smiles_restricted(smiles)[source]
Randomize a SMILES string in a restricted fashion.
The outputs of this function can be reproduced by setting the seed with random.seed().
- Raises
InvalidSmiles – for invalid molecules.
- Parameters
smiles (
str) – SMILES string to randomize.- Return type
str- Returns
Randomized SMILES string.