get_conf_id

skfp.utils.get_conf_id(mol: Mol) → int

Get the conformer ID to use for 3D-based computations. Returns the value of the "conf_id" property if set, e.g. by ConformerGenerator. Otherwise, returns the ID of the first available conformer, which RDKit sets automatically.

Assumes that at least one conformation is available. Ensure this by calling require_mols_with_conformations().