SmilesQuery
#
- class biotite.database.pubchem.SmilesQuery(smiles)[source]#
Bases:
Query
A query that searches for compounds with a given Simplified Molecular Input Line Entry Specification (SMILES) string.
- Parameters:
- smilesstr
The SMILES string.
Examples
>>> print(search(SmilesQuery("CCCC"))) [7843]
- get_files()#
Get the POST file payload for this query.
- Returns:
- paramsdict (str -> object)
The file payload.
- get_input_url_path()#
Get the input part of the request URL.
- Returns:
- get_input_url_pathstr
The input part of the request URL. Must not contain slash characters at the beginning and end of the string.
- get_params()#
Get the POST payload for this query.
- Returns:
- paramsdict (str -> object)
The payload.