| [bcf653] | 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 University of Bonn. All rights reserved. | 
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|  | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
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|  | 6 | */ | 
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|  | 7 |  | 
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| [f60610] | 8 | /* | 
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| [78b593] | 9 | * LinearSystemOfEquationsunittest.cpp | 
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| [f60610] | 10 | * | 
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|  | 11 | *  Created on: Jan 8, 2010 | 
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|  | 12 | *      Author: heber | 
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|  | 13 | */ | 
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|  | 14 |  | 
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| [bf3817] | 15 | // include config.h | 
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|  | 16 | #ifdef HAVE_CONFIG_H | 
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|  | 17 | #include <config.h> | 
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|  | 18 | #endif | 
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|  | 19 |  | 
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| [f60610] | 20 | using namespace std; | 
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|  | 21 |  | 
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|  | 22 | #include <iomanip> | 
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|  | 23 | #include <cppunit/CompilerOutputter.h> | 
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|  | 24 | #include <cppunit/extensions/TestFactoryRegistry.h> | 
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|  | 25 | #include <cppunit/ui/text/TestRunner.h> | 
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| [3dcb1f] | 26 | #include <cmath> | 
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| [f60610] | 27 |  | 
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| [57f243] | 28 | #include "LinearAlgebra/Vector.hpp" | 
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| [f60610] | 29 |  | 
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| [78b593] | 30 | #include "LinearSystemOfEquationsUnitTest.hpp" | 
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|  | 31 |  | 
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| [9b6b2f] | 32 | #ifdef HAVE_TESTRUNNER | 
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|  | 33 | #include "UnitTestMain.hpp" | 
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|  | 34 | #endif /*HAVE_TESTRUNNER*/ | 
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|  | 35 |  | 
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| [f60610] | 36 | /********************************************** Test classes **************************************/ | 
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|  | 37 |  | 
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|  | 38 | // Registers the fixture into the 'registry' | 
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|  | 39 | CPPUNIT_TEST_SUITE_REGISTRATION( LinearSystemOfEquationsTest ); | 
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|  | 40 |  | 
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|  | 41 |  | 
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|  | 42 | void LinearSystemOfEquationsTest::setUp() | 
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|  | 43 | { | 
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|  | 44 | s = new LinearSystemOfEquations(4,4); | 
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|  | 45 | }; | 
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|  | 46 |  | 
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|  | 47 | void LinearSystemOfEquationsTest::tearDown() | 
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|  | 48 | { | 
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|  | 49 | delete(s); | 
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|  | 50 | }; | 
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|  | 51 |  | 
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|  | 52 | /** Unit test for initialization. | 
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|  | 53 | * | 
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|  | 54 | */ | 
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|  | 55 | void LinearSystemOfEquationsTest::InitializationTest() | 
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|  | 56 | { | 
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|  | 57 | // Setting A | 
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|  | 58 | double array[] = { 1., 0., 0., 0., | 
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|  | 59 | 0., 2., 0., 0., | 
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|  | 60 | 0., 0., 3., 0., | 
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|  | 61 | 0., 0., 0., 4. }; | 
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|  | 62 | s->SetA(array); | 
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|  | 63 |  | 
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|  | 64 | // Setting b | 
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|  | 65 | }; | 
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|  | 66 |  | 
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|  | 67 | /** Unit test for symmetry property. | 
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|  | 68 | * | 
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|  | 69 | */ | 
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|  | 70 | void LinearSystemOfEquationsTest::SymmetricTest() | 
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|  | 71 | { | 
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|  | 72 | CPPUNIT_ASSERT_EQUAL( true, s->SetSymmetric(true) ); | 
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|  | 73 | //LinearSystemOfEquations *t = new LinearSystemOfEquations(4,3); | 
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|  | 74 | //CPPUNIT_ASSERT_EQUAL( true, t->SetSymmetric(true) ); | 
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|  | 75 | //delete(t); | 
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|  | 76 | }; | 
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|  | 77 |  | 
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|  | 78 | /** Unit test for simple Solve. | 
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|  | 79 | * | 
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|  | 80 | */ | 
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|  | 81 | void LinearSystemOfEquationsTest::SolveSimpleTest() | 
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|  | 82 | { | 
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|  | 83 | // set up A and b | 
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|  | 84 | double m_array[] = { 1., 0., 0., 0., | 
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|  | 85 | 0., 2., 0., 0., | 
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|  | 86 | 0., 0., 3., 0., | 
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|  | 87 | 0., 0., 0., 4. }; | 
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|  | 88 | double v_array[] = { 1., 2., 3., 4. }; | 
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|  | 89 | s->SetA(m_array); | 
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|  | 90 | s->Setb(v_array); | 
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|  | 91 |  | 
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|  | 92 | // solve | 
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|  | 93 | double *array = new double[4]; | 
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|  | 94 | s->GetSolutionAsArray(array); | 
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|  | 95 | for (int i=0;i<4;i++) | 
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|  | 96 | CPPUNIT_ASSERT_EQUAL( 1., array[i]); | 
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|  | 97 | delete[](array); | 
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|  | 98 | }; | 
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|  | 99 |  | 
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|  | 100 | /** Unit test for advanced Solve. | 
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|  | 101 | * | 
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|  | 102 | */ | 
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|  | 103 | void LinearSystemOfEquationsTest::SolveAdvancedTest() | 
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|  | 104 | { | 
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|  | 105 | // set up A and b | 
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|  | 106 | double m_array[] = { 0.18, 0.60, 0.57, 0.96, | 
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|  | 107 | 0.41, 0.24, 0.99, 0.58, | 
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|  | 108 | 0.14, 0.30, 0.97, 0.66, | 
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|  | 109 | 0.51, 0.13, 0.19, 0.85 }; | 
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|  | 110 | double v_array[] = { 1.0, 2.0, 3.0, 4.0 }; | 
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|  | 111 | double x_array[] = { -4.05205022957398, -12.60561139590692, 1.660911626708844, 8.693766928795233 }; | 
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|  | 112 | s->SetA(m_array); | 
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|  | 113 | s->Setb(v_array); | 
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|  | 114 |  | 
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|  | 115 | // solve | 
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|  | 116 | double *array = new double[4]; | 
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|  | 117 | s->GetSolutionAsArray(array); | 
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|  | 118 | for (int i=0;i<4;i++) { | 
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|  | 119 | CPPUNIT_ASSERT( fabs(x_array[i] - array[i]) < MYEPSILON ); | 
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|  | 120 | } | 
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|  | 121 | delete[](array); | 
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|  | 122 | }; | 
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