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38 lines
1018 B
C++
38 lines
1018 B
C++
//
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// Copyright (C) David Cosgrove and other RDKit contributors 2026.
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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#include <GraphMol/SmilesParse/SmilesParse.h>
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#include "FMCS.h"
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#include <catch2/catch_all.hpp>
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using namespace RDKit;
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TEST_CASE("Github9034") {
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std::vector<ROMOL_SPTR> mols;
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const char *smi[] = {
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"C1CCCCC1",
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"C1CCCC1",
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};
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for (auto &i : smi) {
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mols.emplace_back(v2::SmilesParse::MolFromSmiles(i));
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}
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MCSParameters p;
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p.Verbose = true;
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p.StoreAll = true;
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auto res = findMCS(mols, &p);
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// The bug was a crash caused by p.Verbose = true. So the real test
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// is whether this completes correctly, but check a few things.
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CHECK(res.DegenerateSmartsQueryMolDict.size() == 4);
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for (const auto &r : res.DegenerateSmartsQueryMolDict) {
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CHECK(r.second->getNumAtoms() == 5);
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}
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} |