1 | /*
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2 | * AnalysisCorrelationToPointUnitTest.cpp
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3 | *
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4 | * Created on: Oct 13, 2009
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5 | * Author: heber
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6 | */
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7 |
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8 | using namespace std;
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9 |
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10 | #include <cppunit/CompilerOutputter.h>
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11 | #include <cppunit/extensions/TestFactoryRegistry.h>
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12 | #include <cppunit/ui/text/TestRunner.h>
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13 |
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14 | #include "analysis_correlation.hpp"
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15 | #include "AnalysisCorrelationToPointUnitTest.hpp"
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16 |
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17 | #include "atom.hpp"
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18 | #include "boundary.hpp"
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19 | #include "element.hpp"
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20 | #include "molecule.hpp"
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21 | #include "linkedcell.hpp"
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22 | #include "periodentafel.hpp"
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23 | #include "tesselation.hpp"
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24 |
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25 | /********************************************** Test classes **************************************/
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26 |
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27 | // Registers the fixture into the 'registry'
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28 | CPPUNIT_TEST_SUITE_REGISTRATION( AnalysisCorrelationToPointUnitTest );
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29 |
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30 | void AnalysisCorrelationToPointUnitTest::setUp()
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31 | {
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32 | atom *Walker = NULL;
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33 |
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34 | // init private all pointers to zero
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35 | TestMolecule = NULL;
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36 | hydrogen = NULL;
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37 | tafel = NULL;
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38 | pointmap = NULL;
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39 | binmap = NULL;
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40 | point = NULL;
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41 |
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42 | // construct element
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43 | hydrogen = new element;
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44 | hydrogen->Z = 1;
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45 | strcpy(hydrogen->name, "hydrogen");
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46 | strcpy(hydrogen->symbol, "H");
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47 |
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48 |
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49 | // construct periodentafel
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50 | tafel = new periodentafel;
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51 | tafel->AddElement(hydrogen);
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52 |
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53 | // construct molecule (tetraeder of hydrogens)
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54 | TestMolecule = new molecule(tafel);
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55 | Walker = new atom();
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56 | Walker->type = hydrogen;
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57 | Walker->node->Init(1., 0., 1. );
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58 | TestMolecule->AddAtom(Walker);
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59 | Walker = new atom();
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60 | Walker->type = hydrogen;
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61 | Walker->node->Init(0., 1., 1. );
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62 | TestMolecule->AddAtom(Walker);
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63 | Walker = new atom();
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64 | Walker->type = hydrogen;
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65 | Walker->node->Init(1., 1., 0. );
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66 | TestMolecule->AddAtom(Walker);
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67 | Walker = new atom();
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68 | Walker->type = hydrogen;
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69 | Walker->node->Init(0., 0., 0. );
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70 | TestMolecule->AddAtom(Walker);
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71 |
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72 | // check that TestMolecule was correctly constructed
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73 | CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
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74 |
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75 | // init point
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76 | point = new Vector(1.,1.,1.);
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77 |
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78 | // init maps
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79 | pointmap = CorrelationToPoint( (ofstream *)&cout, (const molecule * const)TestMolecule, (const element * const)hydrogen, (const Vector *)point );
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80 | binmap = NULL;
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81 |
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82 | };
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83 |
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84 |
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85 | void AnalysisCorrelationToPointUnitTest::tearDown()
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86 | {
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87 | if (pointmap != NULL)
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88 | delete(pointmap);
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89 | if (binmap != NULL)
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90 | delete(binmap);
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91 |
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92 | // remove
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93 | delete(TestMolecule);
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94 | // note that all the atoms are cleaned by TestMolecule
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95 | delete(point);
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96 | delete(tafel);
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97 | // note that element is cleaned by periodentafel
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98 | };
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99 |
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100 | void AnalysisCorrelationToPointUnitTest::CorrelationToPointTest()
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101 | {
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102 | // do the pair correlation
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103 | CPPUNIT_ASSERT( pointmap != NULL );
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104 | CPPUNIT_ASSERT_EQUAL( (size_t)4, pointmap->size() );
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105 |
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106 | };
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107 |
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108 | void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinNoRangeTest()
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109 | {
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110 | BinPairMap::iterator tester;
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111 | // put pair correlation into bins and check with no range
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112 | binmap = BinData( (ofstream *)&cout, pointmap, 0.5, 0., 0. );
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113 | CPPUNIT_ASSERT_EQUAL( (size_t)2, binmap->size() );
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114 | //OutputCorrelation ( (ofstream *)&cout, binmap );
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115 | tester = binmap->begin();
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116 | CPPUNIT_ASSERT_EQUAL( 1., tester->first );
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117 | CPPUNIT_ASSERT_EQUAL( 3, tester->second );
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118 |
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119 | };
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120 |
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121 | void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinRangeTest()
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122 | {
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123 | BinPairMap::iterator tester;
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124 | // ... and check with [0., 2.] range
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125 | binmap = BinData( (ofstream *)&cout, pointmap, 0.5, 0., 2. );
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126 | CPPUNIT_ASSERT_EQUAL( (size_t)5, binmap->size() );
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127 | //OutputCorrelation ( (ofstream *)&cout, binmap );
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128 | tester = binmap->begin();
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129 | CPPUNIT_ASSERT_EQUAL( 0., tester->first );
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130 | tester = binmap->find(1.);
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131 | CPPUNIT_ASSERT_EQUAL( 1., tester->first );
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132 | CPPUNIT_ASSERT_EQUAL( 3, tester->second );
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133 |
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134 | };
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135 |
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136 | /********************************************** Main routine **************************************/
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137 |
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138 | int main(int argc, char **argv)
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139 | {
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140 | // Get the top level suite from the registry
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141 | CppUnit::Test *suite = CppUnit::TestFactoryRegistry::getRegistry().makeTest();
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142 |
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143 | // Adds the test to the list of test to run
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144 | CppUnit::TextUi::TestRunner runner;
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145 | runner.addTest( suite );
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146 |
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147 | // Change the default outputter to a compiler error format outputter
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148 | runner.setOutputter( new CppUnit::CompilerOutputter( &runner.result(),
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149 | std::cerr ) );
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150 | // Run the tests.
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151 | bool wasSucessful = runner.run();
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152 |
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153 | // Return error code 1 if the one of test failed.
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154 | return wasSucessful ? 0 : 1;
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155 | };
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