Module chiral_computing_unit::substructure::ob_ss_match
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OpenBabel Substructure Match
use chiral_common::{Operator, OperatorOutput};
use chiral_data::Dummy;
let dsk = chiral_common::kinds::Dataset::Dummy;
let doc_smiles = chiral_data::DocSMILES::dummy();
let data = chiral_computing_unit::substructure::ob_ss_match::Data::from((&dsk, &doc_smiles));
let op = chiral_computing_unit::substructure::ob_ss_match::OpenBabelSSMatching::new();
let output = op.compute(&String::from("C(=O)O"), &data);
assert_eq!(output.len(), 2);