| 1 | /* | 
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| 2 | * Project: MoleCuilder | 
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| 3 | * Description: creates and alters molecular systems | 
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| 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| 5 | * | 
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| 6 | * | 
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| 7 | *   This file is part of MoleCuilder. | 
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| 8 | * | 
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| 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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| 10 | *    it under the terms of the GNU General Public License as published by | 
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| 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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| 12 | *    (at your option) any later version. | 
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| 13 | * | 
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| 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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| 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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| 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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| 17 | *    GNU General Public License for more details. | 
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| 18 | * | 
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| 19 | *    You should have received a copy of the GNU General Public License | 
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| 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| 21 | */ | 
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| 22 |  | 
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| 23 | /* | 
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| 24 | * LinearSystemOfEquationsunittest.cpp | 
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| 25 | * | 
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| 26 | *  Created on: Jan 8, 2010 | 
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| 27 | *      Author: heber | 
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| 28 | */ | 
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| 29 |  | 
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| 30 | // include config.h | 
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| 31 | #ifdef HAVE_CONFIG_H | 
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| 32 | #include <config.h> | 
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| 33 | #endif | 
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| 34 |  | 
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| 35 | using namespace std; | 
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| 36 |  | 
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| 37 | #include <limits> | 
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| 38 | #include <cppunit/CompilerOutputter.h> | 
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| 39 | #include <cppunit/extensions/TestFactoryRegistry.h> | 
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| 40 | #include <cppunit/ui/text/TestRunner.h> | 
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| 41 | #include <cmath> | 
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| 42 |  | 
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| 43 | #include "defs.hpp" | 
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| 44 | #include "Vector.hpp" | 
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| 45 |  | 
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| 46 | #include "LinearSystemOfEquationsUnitTest.hpp" | 
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| 47 |  | 
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| 48 | #ifdef HAVE_TESTRUNNER | 
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| 49 | #include "UnitTestMain.hpp" | 
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| 50 | #endif /*HAVE_TESTRUNNER*/ | 
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| 51 |  | 
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| 52 | /********************************************** Test classes **************************************/ | 
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| 53 |  | 
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| 54 | // Registers the fixture into the 'registry' | 
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| 55 | CPPUNIT_TEST_SUITE_REGISTRATION( LinearSystemOfEquationsTest ); | 
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| 56 |  | 
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| 57 |  | 
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| 58 | void LinearSystemOfEquationsTest::setUp() | 
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| 59 | { | 
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| 60 | s = new LinearSystemOfEquations(4,4); | 
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| 61 | }; | 
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| 62 |  | 
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| 63 | void LinearSystemOfEquationsTest::tearDown() | 
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| 64 | { | 
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| 65 | delete(s); | 
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| 66 | }; | 
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| 67 |  | 
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| 68 | /** Unit test for initialization. | 
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| 69 | * | 
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| 70 | */ | 
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| 71 | void LinearSystemOfEquationsTest::InitializationTest() | 
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| 72 | { | 
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| 73 | // Setting A | 
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| 74 | double array[] = { 1., 0., 0., 0., | 
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| 75 | 0., 2., 0., 0., | 
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| 76 | 0., 0., 3., 0., | 
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| 77 | 0., 0., 0., 4. }; | 
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| 78 | s->SetA(array); | 
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| 79 |  | 
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| 80 | // Setting b | 
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| 81 | }; | 
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| 82 |  | 
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| 83 | /** Unit test for symmetry property. | 
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| 84 | * | 
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| 85 | */ | 
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| 86 | void LinearSystemOfEquationsTest::SymmetricTest() | 
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| 87 | { | 
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| 88 | CPPUNIT_ASSERT_EQUAL( true, s->SetSymmetric(true) ); | 
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| 89 | //LinearSystemOfEquations *t = new LinearSystemOfEquations(4,3); | 
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| 90 | //CPPUNIT_ASSERT_EQUAL( true, t->SetSymmetric(true) ); | 
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| 91 | //delete(t); | 
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| 92 | }; | 
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| 93 |  | 
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| 94 | /** Unit test for simple Solve. | 
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| 95 | * | 
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| 96 | */ | 
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| 97 | void LinearSystemOfEquationsTest::SolveSimpleTest() | 
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| 98 | { | 
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| 99 | // set up A and b | 
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| 100 | double m_array[] = { 1., 0., 0., 0., | 
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| 101 | 0., 2., 0., 0., | 
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| 102 | 0., 0., 3., 0., | 
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| 103 | 0., 0., 0., 4. }; | 
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| 104 | double v_array[] = { 1., 2., 3., 4. }; | 
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| 105 | s->SetA(m_array); | 
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| 106 | s->Setb(v_array); | 
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| 107 |  | 
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| 108 | // solve | 
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| 109 | double *array = new double[4]; | 
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| 110 | s->GetSolutionAsArray(array); | 
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| 111 | for (int i=0;i<4;i++) | 
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| 112 | CPPUNIT_ASSERT_EQUAL( 1., array[i]); | 
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| 113 | delete[](array); | 
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| 114 | }; | 
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| 115 |  | 
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| 116 | /** Unit test for advanced Solve. | 
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| 117 | * | 
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| 118 | */ | 
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| 119 | void LinearSystemOfEquationsTest::SolveAdvancedTest() | 
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| 120 | { | 
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| 121 | // set up A and b | 
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| 122 | double m_array[] = { 0.18, 0.60, 0.57, 0.96, | 
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| 123 | 0.41, 0.24, 0.99, 0.58, | 
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| 124 | 0.14, 0.30, 0.97, 0.66, | 
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| 125 | 0.51, 0.13, 0.19, 0.85 }; | 
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| 126 | double v_array[] = { 1.0, 2.0, 3.0, 4.0 }; | 
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| 127 | double x_array[] = { -4.05205022957398, -12.60561139590692, 1.660911626708844, 8.693766928795233 }; | 
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| 128 | s->SetA(m_array); | 
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| 129 | s->Setb(v_array); | 
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| 130 |  | 
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| 131 | // solve | 
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| 132 | double *array = new double[4]; | 
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| 133 | s->GetSolutionAsArray(array); | 
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| 134 | for (int i=0;i<4;i++) { | 
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| 135 | CPPUNIT_ASSERT( fabs(x_array[i] - array[i]) <= LINALG_MYEPSILON() ); | 
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| 136 | } | 
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| 137 | delete[](array); | 
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| 138 | }; | 
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