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//
// Copyright (C) 2023 Greg Landrum and other RDKit contributors
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <catch2/catch_all.hpp>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/QueryOps.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
using namespace RDKit;
TEST_CASE(
"github #6106: Dummy atoms should not be considered to be metals for M and MH queries") {
const auto m = "C*[Fe]"_smiles;
REQUIRE(m);
SECTION("M") {
std::unique_ptr<ATOM_OR_QUERY> q(makeMAtomQuery());
REQUIRE(q);
CHECK(!q->Match(m->getAtomWithIdx(0)));
CHECK(!q->Match(m->getAtomWithIdx(1)));
CHECK(q->Match(m->getAtomWithIdx(2)));
}
SECTION("MH") {
std::unique_ptr<ATOM_OR_QUERY> q(makeMHAtomQuery());
REQUIRE(q);
CHECK(!q->Match(m->getAtomWithIdx(0)));
CHECK(!q->Match(m->getAtomWithIdx(1)));
CHECK(q->Match(m->getAtomWithIdx(2)));
}
}
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