feos.GcParameters¶
- class feos.GcParameters¶
Combination of chemical information and segment parameters that is used to parametrize a group-contribution model.
Methods
__init__()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.