src/gromacs/math/tests/matrix.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2019, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
   7  * top-level source directory and at http://www.gromacs.org.
   8  *
   9  * GROMACS is free software; you can redistribute it and/or
  10  * modify it under the terms of the GNU Lesser General Public License
  11  * as published by the Free Software Foundation; either version 2.1
  12  * of the License, or (at your option) any later version.
  13  *
  14  * GROMACS is distributed in the hope that it will be useful,
  15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  17  * Lesser General Public License for more details.
  18  *
  19  * You should have received a copy of the GNU Lesser General Public
  20  * License along with GROMACS; if not, see
  21  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  22  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  23  *
  24  * If you want to redistribute modifications to GROMACS, please
  25  * consider that scientific software is very special. Version
  26  * control is crucial - bugs must be traceable. We will be happy to
  27  * consider code for inclusion in the official distribution, but
  28  * derived work must not be called official GROMACS. Details are found
  29  * in the README & COPYING files - if they are missing, get the
  30  * official version at http://www.gromacs.org.
  31  *
  32  * To help us fund GROMACS development, we humbly ask that you cite
  33  * the research papers on the package. Check out http://www.gromacs.org.
  34  */
  35 /*! \internal \file
  36  * \brief
  37  * Tests matrices
  38  *
  39  * \author Christian Blau <cblau@gwdg.de>
  40  * \ingroup module_math
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "gromacs/math/matrix.h"
  45
  46 #include <string>
  47 #include <vector>
  48
  49 #include <gmock/gmock.h>
  50 #include <gtest/gtest.h>
  51
  52 #include "testutils/testasserts.h"
  53
  54 namespace gmx
  55 {
  56
  57 namespace test
  58 {
  59
  60 namespace
  61 {
  62
  63 class MatrixTest : public ::testing::Test
  64 {
  65     public:
  66         MatrixTest()
  67         {
  68             std::fill(begin(matrix_), end(matrix_), testNumber_ - 1);
  69         }
  70     protected:
  71         Matrix3x3 matrix_;
  72         real      testNumber_ = 42;
  73 };
  74
  75 TEST_F(MatrixTest, canSetFromArray)
  76 {
  77     std::array<real, 3*3>      arr = {{1, 2, 3, 4, 5, 6, 7, 8, 9}};
  78     Matrix3x3                  newMatrix(arr);
  79     EXPECT_EQ(newMatrix(0, 0), 1);
  80     EXPECT_EQ(newMatrix(0, 1), 2);
  81     EXPECT_EQ(newMatrix(0, 2), 3);
  82     EXPECT_EQ(newMatrix(1, 0), 4);
  83     EXPECT_EQ(newMatrix(1, 1), 5);
  84     EXPECT_EQ(newMatrix(1, 2), 6);
  85     EXPECT_EQ(newMatrix(2, 0), 7);
  86     EXPECT_EQ(newMatrix(2, 1), 8);
  87     EXPECT_EQ(newMatrix(2, 2), 9);
  88 }
  89
  90 TEST_F(MatrixTest, canSetStaticallyFromList)
  91 {
  92     Matrix3x3 newMatrix = {{1, 2, 3, 4, 5, 6, 7, 8, 9}};
  93     EXPECT_EQ(newMatrix(0, 0), 1);
  94     EXPECT_EQ(newMatrix(0, 1), 2);
  95     EXPECT_EQ(newMatrix(0, 2), 3);
  96     EXPECT_EQ(newMatrix(1, 0), 4);
  97     EXPECT_EQ(newMatrix(1, 1), 5);
  98     EXPECT_EQ(newMatrix(1, 2), 6);
  99     EXPECT_EQ(newMatrix(2, 0), 7);
 100     EXPECT_EQ(newMatrix(2, 1), 8);
 101     EXPECT_EQ(newMatrix(2, 2), 9);
 102 }
 103
 104 TEST_F(MatrixTest, canConstructAndFill)
 105 {
 106     for (const auto &x : matrix_)
 107     {
 108         EXPECT_EQ(testNumber_ - 1, x);
 109     }
 110 }
 111
 112 TEST_F(MatrixTest, canSetValues)
 113 {
 114     matrix_(1, 1) = testNumber_;
 115     EXPECT_EQ(testNumber_, matrix_(1, 1) );
 116 }
 117
 118 TEST_F(MatrixTest, canCopyAssign)
 119 {
 120     Matrix3x3 other;
 121     other = matrix_;
 122     using ::testing::Pointwise;
 123     using ::testing::Eq;
 124     EXPECT_THAT(other.toArrayRef(), Pointwise(Eq(), matrix_.toArrayRef()));
 125 }
 126
 127 TEST_F(MatrixTest, canSwap)
 128 {
 129     Matrix3x3 other;
 130     matrix_(0, 0) = testNumber_;
 131     other.swap(matrix_);
 132     EXPECT_EQ(testNumber_, other(0, 0));
 133     for (auto x = begin(other) + 1; x != end(other); ++x)
 134     {
 135         EXPECT_EQ(testNumber_ - 1, *x);
 136     }
 137 }
 138
 139 TEST_F(MatrixTest, staticMultiDimArrayExtent)
 140 {
 141     EXPECT_EQ(matrix_.extent(0), 3);
 142     EXPECT_EQ(matrix_.extent(1), 3);
 143 }
 144
 145 TEST_F(MatrixTest, determinantWorksForInt)
 146 {
 147     const BasicMatrix3x3<int> mat = {{6, 4, 2, 1, -2, 8, 1, 5, 7}};
 148     EXPECT_EQ(determinant(mat), -306);
 149 }
 150
 151 TEST_F(MatrixTest, determinantWorksForFloat)
 152 {
 153     const BasicMatrix3x3<float> mat = {{1.0, 2.0, 3.0,
 154                                         0.0, 1.0, 4.0,
 155                                         5.0, 6.0, 0.0}};
 156     EXPECT_EQ(determinant(mat), 1);
 157 }
 158
 159 TEST_F(MatrixTest, noninvertableDeterminantIsZero)
 160 {
 161     const BasicMatrix3x3<int> mat = {{1, 0, 0, 0, 1, 0, 0, 0, 0}};
 162     EXPECT_EQ(determinant(mat), 0);
 163 }
 164
 165 TEST_F(MatrixTest, determinantOfDiagonalMatrix)
 166 {
 167     const BasicMatrix3x3<int> mat = {{2, 0, 0, 0, 3, 0, 0, 0, 4}};
 168     EXPECT_EQ(determinant(mat), 24);
 169 }
 170
 171 TEST_F(MatrixTest, traceWorks)
 172 {
 173     const Matrix3x3 mat = {{1.5, 9, 9, 9, 2.0, 9, 9, 9, 0.25}};
 174     EXPECT_EQ(trace(mat), 3.75);
 175 }
 176
 177 } // namespace
 178
 179 } // namespace test
 180
 181 } // namespace gmx