rdkit/Code/GraphMol/QueryOps.cpp at 7a8df171d0d173df6d809bceb1bc34a52f4542a3

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Brian Kelley 7a8df171d0 RDKit learns how to query properties on Atoms

Examples:

    QueryAtom qA;
    qA.setQuery(makeAtomHasPropQuery("foo"));

    QueryAtom qA;
    qA.setQuery(makeAtomPropQuery<double>("foo", 2));

    QueryAtom qA;
    qA.setQuery(makeAtomPropQuery<std::string>("foo", "bar"));

2015-02-25 15:28:34 -05:00

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