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//
// Copyright (C) 2005-2025 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 <Geometry/point.h>
#include "FreeChemicalFeature.h"
#include <RDGeneral/utils.h>
using namespace ChemicalFeatures;
TEST_CASE("FreeChemicalFeature Tests") {
FreeChemicalFeature f1("foo", "bar", RDGeom::Point3D(1, 1, 1));
REQUIRE(f1.getId() == -1);
REQUIRE(f1.getFamily() == "foo");
REQUIRE(f1.getType() == "bar");
REQUIRE_THAT(f1.getPos().x, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f1.getPos().y, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f1.getPos().z, Catch::Matchers::WithinAbs(1.0, 1e-6));
FreeChemicalFeature f2("foo", "bar", RDGeom::Point3D(1, 1, 1), 123);
REQUIRE(f2.getId() == 123);
REQUIRE(f2.getFamily() == "foo");
REQUIRE(f2.getType() == "bar");
REQUIRE_THAT(f2.getPos().x, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f2.getPos().y, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f2.getPos().z, Catch::Matchers::WithinAbs(1.0, 1e-6));
FreeChemicalFeature f3;
f3.initFromString(f2.toString());
REQUIRE(f3.getId() == 123);
REQUIRE(f3.getFamily() == "foo");
REQUIRE(f3.getType() == "bar");
REQUIRE_THAT(f3.getPos().x, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f3.getPos().y, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f3.getPos().z, Catch::Matchers::WithinAbs(1.0, 1e-6));
FreeChemicalFeature f4(f2);
REQUIRE(f4.getId() == 123);
REQUIRE(f4.getFamily() == "foo");
REQUIRE(f4.getType() == "bar");
REQUIRE_THAT(f4.getPos().x, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f4.getPos().y, Catch::Matchers::WithinAbs(1.0, 1e-6));
REQUIRE_THAT(f4.getPos().z, Catch::Matchers::WithinAbs(1.0, 1e-6));
}
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