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RDKit learns how to query Atom/Bond properties
QueryBond qB;
qB.setQuery(makePropQuery<Bond, double>("foo", 2));
QueryAtom qA;
qA.setQuery(makePropQuery<Atom, string>("foo", “bar”));
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@@ -323,9 +323,4 @@ ATOM_NULL_QUERY *makeAtomNullQuery(){
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return res;
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}
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ATOM_PROP_QUERY *makeAtomHasPropQuery(const std::string &property)
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{
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return new AtomHasPropQuery(property);
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}
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};
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