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.