| [b4cf2b] | 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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 | 8 | /*
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 | 9 |  * SubspaceFactorizerUnittest.cpp
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 | 10 |  *
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 | 11 |  *  Created on: Nov 13, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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 | 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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 | 20 | #include <cppunit/CompilerOutputter.h>
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 | 21 | #include <cppunit/extensions/TestFactoryRegistry.h>
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 | 22 | #include <cppunit/ui/text/TestRunner.h>
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 | 23 | 
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 | 24 | #include <cmath>
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 | 25 | 
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 | 26 | #include <gsl/gsl_vector.h>
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 | 27 | 
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 | 28 | #include "SubspaceFactorizerUnittest.hpp"
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 | 29 | #include "LinearAlgebra/VectorContent.hpp"
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 | 30 | #include "LinearAlgebra/MatrixContent.hpp"
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 | 31 | 
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 | 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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 | 36 | // Registers the fixture into the 'registry'
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 | 37 | CPPUNIT_TEST_SUITE_REGISTRATION( SubspaceFactorizerUnittest );
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 | 38 | 
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 | 39 | void SubspaceFactorizerUnittest::setUp(){
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 | 40 |   fourbyfour = new MatrixContent(4,4);
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 | 41 |   fourbyfour->setZero();
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 | 42 |   for (int i=0; i<4 ; i++) {
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 | 43 |     fourbyfour->set(i,i, 2.);
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 | 44 |     if (i < (4-1)) {
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 | 45 |       fourbyfour->set(i+1,i, 1.);
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 | 46 |       fourbyfour->set(i,i+1, 1.);
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 | 47 |     }
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 | 48 |   }
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 | 49 |   permU1_1 = new MatrixContent(4,1);
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 | 50 |   permU1_1->setZero();
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 | 51 |   permU1_1->set(0,0, 1.);
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 | 52 |   permU1_2 = new MatrixContent(4,1);
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 | 53 |   permU1_2->setZero();
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 | 54 |   permU1_2->set(1,0, 1.);
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 | 55 |   permU1_3 = new MatrixContent(4,1);
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 | 56 |   permU1_3->setZero();
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 | 57 |   permU1_3->set(2,0, 1.);
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 | 58 |   permU1_4 = new MatrixContent(4,1);
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 | 59 |   permU1_4->setZero();
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 | 60 |   permU1_4->set(3,0, 1.);
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 | 61 | 
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 | 62 |   permU2_1 = new MatrixContent(4,2);
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 | 63 |   permU2_1->setZero();
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 | 64 |   permU2_1->set(0,0, 1.);
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 | 65 |   permU2_1->set(1,1, 1.);
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 | 66 |   permU2_2 = new MatrixContent(4,2);
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 | 67 |   permU2_2->setZero();
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 | 68 |   permU2_2->set(1,0, 1.);
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 | 69 |   permU2_2->set(2,1, 1.);
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 | 70 |   permU2_3 = new MatrixContent(4,2);
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 | 71 |   permU2_3->setZero();
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 | 72 |   permU2_3->set(2,0, 1.);
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 | 73 |   permU2_3->set(3,1, 1.);
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 | 74 | 
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 | 75 |   permU3_1 = new MatrixContent(4,3);
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 | 76 |   permU3_1->setZero();
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 | 77 |   permU3_1->set(0,0, 1.);
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 | 78 |   permU3_1->set(1,1, 1.);
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 | 79 |   permU3_1->set(2,2, 1.);
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 | 80 |   permU3_2 = new MatrixContent(4,3);
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 | 81 |   permU3_2->setZero();
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 | 82 |   permU3_2->set(1,0, 1.);
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 | 83 |   permU3_2->set(2,1, 1.);
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 | 84 |   permU3_2->set(3,2, 1.);
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 | 85 | }
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 | 86 | void SubspaceFactorizerUnittest::tearDown(){
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 | 87 |   delete fourbyfour;
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 | 88 |   delete permU1_1;
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 | 89 |   delete permU1_2;
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 | 90 |   delete permU1_3;
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 | 91 |   delete permU1_4;
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 | 92 |   delete permU2_1;
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 | 93 |   delete permU2_2;
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 | 94 |   delete permU2_3;
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 | 95 |   delete permU3_1;
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 | 96 |   delete permU3_2;
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 | 97 | }
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 | 98 | 
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 | 99 | void SubspaceFactorizerUnittest::BlockTest()
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 | 100 | {
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 | 101 |   MatrixContent temp((*fourbyfour)*(*permU1_1));
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 | 102 |   std::cout << "Our matrix is " << *fourbyfour << "." << std::endl;
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 | 103 | 
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 | 104 |   std::cout << "Multiplying " << *fourbyfour << " by " << *permU1_1 << " is: " << std::endl;
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 | 105 |   std::cout << temp << std::endl;
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 | 106 | 
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 | 107 |   gsl_vector *eigenvalues = temp.transformToEigenbasis();
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 | 108 |   std::cout << "The resulting eigenbasis is " << temp
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 | 109 |       << " with eigenvalues " << gsl_vector_get(eigenvalues, 0)
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 | 110 |       << std::endl;
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 | 111 |   gsl_vector_free(eigenvalues);
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 | 112 | 
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 | 113 |   CPPUNIT_ASSERT_EQUAL(0,0);
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 | 114 | }
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 | 115 | 
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