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//
// Copyright (C) 2023 Greg Landrum
//
// @@ 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 <RDGeneral/test.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/Subgraphs/Subgraphs.h>
#include <GraphMol/Subgraphs/SubgraphUtils.h>
#include <iostream>
#include <algorithm>
using namespace RDKit;
TEST_CASE("shortestPathsOnly") {
SECTION("basics, findAllPathsOfLengthN") {
auto m = "CC1CCC1"_smiles;
REQUIRE(m);
bool useBonds = true;
bool useHs = false;
int rootedAt = -1;
bool onlyShortestPaths = true;
auto ps = findAllPathsOfLengthN(*m, 4);
CHECK(ps.size() == 3);
ps = findAllPathsOfLengthN(*m, 4, useBonds, useHs, rootedAt,
onlyShortestPaths);
CHECK(ps.empty());
ps = findAllPathsOfLengthN(*m, 3);
CHECK(ps.size() == 6);
std::cerr << "---------" << std::endl;
ps = findAllPathsOfLengthN(*m, 3, useBonds, useHs, rootedAt,
onlyShortestPaths);
CHECK(ps.size() == 2);
}
SECTION("basics, findAllPathsOfLengthsMtoN") {
auto m = "CC1CCC1"_smiles;
REQUIRE(m);
bool useBonds = true;
bool useHs = false;
int rootedAt = -1;
bool onlyShortestPaths = true;
auto ps = findAllPathsOfLengthsMtoN(*m, 3, 4);
CHECK(ps.size() == 2);
CHECK(ps[3].size() == 6);
CHECK(ps[4].size() == 3);
ps = findAllPathsOfLengthsMtoN(*m, 3, 4, useBonds, useHs, rootedAt,
onlyShortestPaths);
CHECK(ps.size() == 1);
CHECK(ps[3].size() == 2);
}
}
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