feos.GcParameters¶

class feos.GcParameters¶

Combination of chemical information and segment parameters that is used to parametrize a group-contribution model.

Methods

__init__()
from_json_segments	Creates parameters using segments from json file.
from_json_smiles(identifier, smarts_path, ...)	Creates parameters from SMILES using segments from json file.
from_segments(chemical_records, segment_records)	Creates parameters from segment records.
from_smiles(identifier, smarts_records, ...)	Creates parameters from SMILES and segment records.