Bonded interactions refactoring: add BondedInteractionsMap unittest

src/core/unit_tests/CMakeLists.txt

@@ -49,3 +49,5 @@ unit_test(NAME thermostats_test SRC thermostats_test.cpp DEPENDS EspressoCore)
 unit_test(NAME random_test SRC random_test.cpp DEPENDS EspressoUtils Random123)
 unit_test(NAME BondList_test SRC BondList_test.cpp DEPENDS EspressoCore)
 unit_test(NAME energy_test SRC energy_test.cpp DEPENDS EspressoCore)
+unit_test(NAME bonded_interactions_map_test SRC
+          bonded_interactions_map_test.cpp DEPENDS EspressoCore)

src/core/unit_tests/bonded_interactions_map_test.cpp

@@ -0,0 +1,75 @@
+/*
+ * Copyright (C) 2021 The ESPResSo project
+ *
+ * This file is part of ESPResSo.
+ *
+ * ESPResSo is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * ESPResSo is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#define BOOST_TEST_MODULE BondedInteractionsMap test
+#define BOOST_TEST_DYN_LINK
+#include <boost/test/unit_test.hpp>
+#include <unordered_map>
+
+#include "bonded_interactions/angle_cosine.hpp"
+#include "bonded_interactions/bonded_interaction_data.hpp"
+#include "bonded_interactions/fene.hpp"
+
+BOOST_AUTO_TEST_CASE(insert_bond_types) {
+  BondedInteractionsMap bond_map{};
+  std::unordered_map<int, std::shared_ptr<Bonded_IA_Parameters>> mock_core{};
+  // check defaulted maps are empty
+  BOOST_TEST(bond_map.empty());
+  BOOST_TEST(mock_core.empty());
+  // insert first element
+  int first_key = 1;
+  auto const fene_bond = FeneBond(1.2, 3.0, 0.8);
+  auto const fene_bond_ia = std::make_shared<Bonded_IA_Parameters>(fene_bond);
+  bond_map.insert(first_key, fene_bond_ia);
+  mock_core[first_key] = fene_bond_ia;
+  BOOST_TEST(bond_map.at(first_key) == fene_bond_ia);
+  BOOST_TEST(mock_core.at(first_key) == fene_bond_ia);
+  BOOST_REQUIRE_EQUAL(bond_map.size(), 1);
+  BOOST_REQUIRE_EQUAL(mock_core.size(), 1);
+  // insert second element
+  auto const acos_bond = AngleCosineBond(4.5, 3.14);
+  auto const acos_bond_ia = std::make_shared<Bonded_IA_Parameters>(acos_bond);
+  auto second_key = bond_map.insert(acos_bond_ia);
+  BOOST_TEST(first_key != second_key);
+  mock_core[second_key] = acos_bond_ia;
+  BOOST_TEST(bond_map.at(second_key) == acos_bond_ia);
+  BOOST_TEST(mock_core.at(second_key) == acos_bond_ia);
+  BOOST_REQUIRE_EQUAL(bond_map.size(), 2);
+  BOOST_REQUIRE_EQUAL(mock_core.size(), 2);
+  // try to access non-existent element
+  BOOST_CHECK_THROW(bond_map.at(bond_map.get_next_key()), std::out_of_range);
+  BOOST_CHECK_THROW(mock_core.at(bond_map.get_next_key()), std::out_of_range);
+  // check that both elements are "contained" in the map
+  BOOST_TEST(bond_map.contains(first_key));
+  BOOST_TEST(bond_map.contains(second_key));
+
+  BOOST_REQUIRE_EQUAL(bond_map.count(first_key), 1);
+  BOOST_REQUIRE_EQUAL(mock_core.count(first_key), 1);
+  BOOST_REQUIRE_EQUAL(bond_map.count(second_key), 1);
+  BOOST_REQUIRE_EQUAL(mock_core.count(second_key), 1);
+  BOOST_REQUIRE_EQUAL(bond_map.count(bond_map.get_next_key()), 0);
+  BOOST_REQUIRE_EQUAL(mock_core.count(bond_map.get_next_key()), 0);
+
+  // delete an element
+  bond_map.erase(first_key);
+  mock_core.erase(first_key);
+  BOOST_TEST(!bond_map.contains(first_key));
+  BOOST_REQUIRE_EQUAL(bond_map.size(), 1);
+  BOOST_REQUIRE_EQUAL(mock_core.size(), 1);
+}