Table 2 The most commonly used Pyrfume functions for creating and working with archives.
Function | Module | Arguments | Returns |
|---|---|---|---|
list_archives() | base | List of Pyrfume archives | |
show_files() | base | archive name | List of archive files in manifest |
load_manifest() | base | archive name | Contents of archive manifest |
load_data() | base | relative path to archive data file | Contents of data file |
get_cid() | odorants | identifier (CAS, name, SMILES, etc) | PubChem Compound ID (CID) |
get_cids() | odorants | list of identifiers | Corresponding list of CIDs |
from_cids() | odorants | list of CIDs | List of dictionaries containing CID, molecular weight, isomeric SMILES, IUPAC name, and common name for each compound |
