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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/MolBundle.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/SmilesParse/SmilesWrite.h>
#include <GraphMol/Chirality.h>
#include <algorithm>
using namespace RDKit;
#ifdef RDK_USE_BOOST_SERIALIZATION
TEST_CASE("MolBundle serialization") {
SECTION("basics") {
MolBundle bundle;
bundle.addMol(ROMOL_SPTR(SmilesToMol("CCC")));
bundle.addMol(ROMOL_SPTR(SmilesToMol("CCN")));
CHECK(!bundle.empty());
auto pkl = bundle.serialize();
MolBundle nbundle(pkl);
REQUIRE(bundle.size() == nbundle.size());
for (auto i = 0u; i < bundle.size(); ++i) {
CHECK(MolToSmiles(*bundle[i]) == MolToSmiles(*nbundle[i]));
}
}
SECTION("empty") {
MolBundle bundle;
CHECK(bundle.empty());
auto pkl = bundle.serialize();
MolBundle nbundle(pkl);
REQUIRE(bundle.size() == nbundle.size());
}
}
#else
TEST_CASE("MolBundle serialization") {}
#endif
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