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701395b9da
* remove no-op macros and dead code (pt 2) * test failures due to whitespace changes? * actually run the testFeatures tests --------- Co-authored-by: greg landrum <greg.landrum@gmail.com>
151 lines
4.4 KiB
C++
151 lines
4.4 KiB
C++
//
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// Copyright (C) 2004-2040 Greg Landrum and other RDKit contributors
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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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//
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#include <RDGeneral/test.h>
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#include <iostream>
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#include <RDGeneral/Invariant.h>
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#include <RDGeneral/utils.h>
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#include <Geometry/point.h>
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#include <Features/Feature.h>
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using namespace RDKit;
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using namespace RDGeom;
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using namespace RDFeatures;
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typedef enum {
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fooType,
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barType,
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bazType,
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grnType,
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} TypeMarker;
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void test1() {
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std::cerr << "-------------------------------------" << std::endl;
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std::cerr << "Basics for ExplicitFeatures." << std::endl;
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ExplicitFeature<TypeMarker> f1;
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f1.setFamily(bazType);
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TEST_ASSERT(f1.getFamily() == bazType);
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f1.setType(grnType);
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TEST_ASSERT(f1.getType() == grnType);
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1 = ExplicitFeature<TypeMarker>(barType, fooType);
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TEST_ASSERT(f1.getFamily() == barType);
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TEST_ASSERT(f1.getType() == fooType);
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1 = ExplicitFeature<TypeMarker>(barType, fooType, Point3D(1.0, 2.0, 3.0));
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TEST_ASSERT(f1.getFamily() == barType);
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TEST_ASSERT(f1.getType() == fooType);
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TEST_ASSERT(feq(f1.getLoc().x, 1.0));
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TEST_ASSERT(feq(f1.getLoc().y, 2.0));
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TEST_ASSERT(feq(f1.getLoc().z, 3.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1.setLoc(Point3D(-1.0, -2.0, -3.0));
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TEST_ASSERT(feq(f1.getLoc().x, -1.0));
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TEST_ASSERT(feq(f1.getLoc().y, -2.0));
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TEST_ASSERT(feq(f1.getLoc().z, -3.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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std::cerr << " done" << std::endl;
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}
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void test2() {
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std::cerr << "-------------------------------------" << std::endl;
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std::cerr << "Basics for ImplicitFeatures." << std::endl;
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ImplicitFeature<TypeMarker> f1;
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f1.setType(fooType);
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TEST_ASSERT(f1.getType() == fooType);
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f1.setType(grnType);
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TEST_ASSERT(f1.getType() == grnType);
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1 = ImplicitFeature<TypeMarker>(barType, fooType);
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TEST_ASSERT(f1.getFamily() == barType);
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TEST_ASSERT(f1.getType() == fooType);
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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Point3D p1(0, 0, 0), p2(1, 0, 0), p3(0, 1, 0);
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f1.addPoint(&p1);
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f1.addPoint(&p2);
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TEST_ASSERT(feq(f1.getLoc().x, 0.50));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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f1.addPoint(&p3);
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TEST_ASSERT(feq(f1.getLoc().x, 0.3333));
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TEST_ASSERT(feq(f1.getLoc().y, 0.3333));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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f1.reset();
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(feq(f1.getLoc().z, 0.0));
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std::cerr << " done" << std::endl;
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}
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void test3() {
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std::cerr << "-------------------------------------" << std::endl;
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std::cerr << "ExplicitFeatures 2D, string type." << std::endl;
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typedef ExplicitFeature<std::string, std::string, Point2D> LocalFeature;
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LocalFeature f1;
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f1.setType("foo");
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TEST_ASSERT(f1.getType() == "foo");
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f1.setFamily("foob");
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TEST_ASSERT(f1.getFamily() == "foob");
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1 = LocalFeature("foo", "bar");
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TEST_ASSERT(f1.getFamily() == "foo");
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TEST_ASSERT(f1.getType() == "bar");
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TEST_ASSERT(feq(f1.getLoc().x, 0.0));
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TEST_ASSERT(feq(f1.getLoc().y, 0.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1 = LocalFeature("grm", "grn", Point2D(1.0, 2.0));
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TEST_ASSERT(f1.getFamily() == "grm");
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TEST_ASSERT(f1.getType() == "grn");
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TEST_ASSERT(feq(f1.getLoc().x, 1.0));
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TEST_ASSERT(feq(f1.getLoc().y, 2.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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f1.setLoc(Point2D(-1.0, -2.0));
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TEST_ASSERT(feq(f1.getLoc().x, -1.0));
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TEST_ASSERT(feq(f1.getLoc().y, -2.0));
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TEST_ASSERT(f1.getDirs().size() == 0);
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std::cerr << " done" << std::endl;
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}
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int main() {
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test1();
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test2();
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test3();
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}
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