[c4fd03] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
| 4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
|
---|
| 5 | *
|
---|
| 6 | *
|
---|
| 7 | * This file is part of MoleCuilder.
|
---|
| 8 | *
|
---|
| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
| 10 | * it under the terms of the GNU General Public License as published by
|
---|
| 11 | * the Free Software Foundation, either version 2 of the License, or
|
---|
| 12 | * (at your option) any later version.
|
---|
| 13 | *
|
---|
| 14 | * MoleCuilder 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
|
---|
| 17 | * GNU General Public License for more details.
|
---|
| 18 | *
|
---|
| 19 | * You should have received a copy of the GNU General Public License
|
---|
| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
| 21 | */
|
---|
| 22 |
|
---|
| 23 | /*
|
---|
| 24 | * HistogramUnitTest.cpp
|
---|
| 25 | *
|
---|
| 26 | * Created on: Jul 26, 2012
|
---|
| 27 | * Author: heber
|
---|
| 28 | */
|
---|
| 29 |
|
---|
| 30 | // include config.h
|
---|
| 31 | #ifdef HAVE_CONFIG_H
|
---|
| 32 | #include <config.h>
|
---|
| 33 | #endif
|
---|
| 34 |
|
---|
| 35 | using namespace std;
|
---|
| 36 |
|
---|
| 37 | #include <cppunit/CompilerOutputter.h>
|
---|
| 38 | #include <cppunit/extensions/TestFactoryRegistry.h>
|
---|
| 39 | #include <cppunit/ui/text/TestRunner.h>
|
---|
| 40 |
|
---|
[e06820] | 41 | #include "Fragmentation/SetValues/Histogram.hpp"
|
---|
[c4fd03] | 42 |
|
---|
| 43 | #include "HistogramUnitTest.hpp"
|
---|
| 44 |
|
---|
[22c4f57] | 45 | #include <cmath>
|
---|
| 46 | #include <limits>
|
---|
| 47 |
|
---|
[c4fd03] | 48 | #include <boost/assign.hpp>
|
---|
| 49 |
|
---|
[22c4f57] | 50 | #include "CodePatterns/Assert.hpp"
|
---|
| 51 |
|
---|
[c4fd03] | 52 | #ifdef HAVE_TESTRUNNER
|
---|
| 53 | #include "UnitTestMain.hpp"
|
---|
| 54 | #endif /*HAVE_TESTRUNNER*/
|
---|
| 55 |
|
---|
| 56 | using namespace boost::assign;
|
---|
| 57 |
|
---|
| 58 | /********************************************** Test classes **************************************/
|
---|
| 59 |
|
---|
| 60 | // Registers the fixture into the 'registry'
|
---|
| 61 | CPPUNIT_TEST_SUITE_REGISTRATION( HistogramTest );
|
---|
| 62 |
|
---|
| 63 |
|
---|
| 64 | void HistogramTest::setUp()
|
---|
| 65 | {
|
---|
[22c4f57] | 66 | // failing asserts should be thrown
|
---|
| 67 | ASSERT_DO(Assert::Throw);
|
---|
| 68 |
|
---|
[c4fd03] | 69 | histogram = NULL;
|
---|
| 70 | }
|
---|
| 71 |
|
---|
| 72 |
|
---|
| 73 | void HistogramTest::tearDown()
|
---|
| 74 | {
|
---|
| 75 | delete histogram;
|
---|
| 76 | }
|
---|
| 77 |
|
---|
[1c365e] | 78 | /** UnitTest for checking internal state after given samples
|
---|
[c4fd03] | 79 | */
|
---|
[1c365e] | 80 | void HistogramTest::internalState_Test()
|
---|
[c4fd03] | 81 | {
|
---|
| 82 | // generate non-empty histogramgram
|
---|
| 83 | Histogram::samples_t sampled_values;
|
---|
| 84 | sampled_values += 1.,2.,3.,4.;
|
---|
| 85 | CPPUNIT_ASSERT_EQUAL( (size_t)4, sampled_values.size() );
|
---|
[6bed1f] | 86 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[c4fd03] | 87 | CPPUNIT_ASSERT_EQUAL( (size_t)4+1, histogram->bins.size() );
|
---|
| 88 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->bins.begin() );
|
---|
[1c365e] | 89 | CPPUNIT_ASSERT_EQUAL( 1., histogram->bins.begin()->second );
|
---|
| 90 | CPPUNIT_ASSERT_EQUAL( 0., (--histogram->bins.end())->second );
|
---|
| 91 | }
|
---|
| 92 |
|
---|
| 93 | /** UnitTest for getLowerEndBin()
|
---|
| 94 | */
|
---|
| 95 | void HistogramTest::getLowerEndBin_Test()
|
---|
| 96 | {
|
---|
| 97 | // generate non-empty histogramgram
|
---|
| 98 | Histogram::samples_t sampled_values;
|
---|
| 99 | sampled_values += 1.,2.,3.,4.;
|
---|
| 100 | CPPUNIT_ASSERT_EQUAL( (size_t)4, sampled_values.size() );
|
---|
[6bed1f] | 101 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[1c365e] | 102 |
|
---|
| 103 | // check values inside
|
---|
| 104 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(1.) );
|
---|
| 105 | CPPUNIT_ASSERT_EQUAL( 1., histogram->getLowerEndBin(1.)->first );
|
---|
| 106 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(2.) );
|
---|
| 107 | CPPUNIT_ASSERT_EQUAL( 2., histogram->getLowerEndBin(2.)->first );
|
---|
| 108 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(3.) );
|
---|
| 109 | CPPUNIT_ASSERT_EQUAL( 3., histogram->getLowerEndBin(3.)->first );
|
---|
| 110 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(4.) );
|
---|
| 111 | CPPUNIT_ASSERT_EQUAL( 4., histogram->getLowerEndBin(4.)->first );
|
---|
| 112 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(1.5) );
|
---|
| 113 | CPPUNIT_ASSERT_EQUAL( 1., histogram->getLowerEndBin(1.5)->first );
|
---|
| 114 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(2.5) );
|
---|
| 115 | CPPUNIT_ASSERT_EQUAL( 2., histogram->getLowerEndBin(2.5)->first );
|
---|
| 116 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(3.5) );
|
---|
| 117 | CPPUNIT_ASSERT_EQUAL( 3., histogram->getLowerEndBin(3.5)->first );
|
---|
| 118 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getLowerEndBin(4.5) );
|
---|
| 119 | CPPUNIT_ASSERT_EQUAL( 4., histogram->getLowerEndBin(4.5)->first );
|
---|
| 120 |
|
---|
| 121 | // check values outside
|
---|
| 122 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getLowerEndBin(.9) );
|
---|
| 123 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getLowerEndBin(5.01) );
|
---|
| 124 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getLowerEndBin(5.) );
|
---|
| 125 | }
|
---|
| 126 |
|
---|
| 127 | /** UnitTest for getHigherEndBin()
|
---|
| 128 | */
|
---|
| 129 | void HistogramTest::getHigherEndBin_Test()
|
---|
| 130 | {
|
---|
| 131 | // generate non-empty histogramgram
|
---|
| 132 | Histogram::samples_t sampled_values;
|
---|
| 133 | sampled_values += 1.,2.,3.,4.;
|
---|
| 134 | CPPUNIT_ASSERT_EQUAL( (size_t)4, sampled_values.size() );
|
---|
[6bed1f] | 135 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[c4fd03] | 136 |
|
---|
| 137 | // check values inside
|
---|
[1c365e] | 138 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(.5) );
|
---|
| 139 | CPPUNIT_ASSERT_EQUAL( 1., histogram->getHigherEndBin(.5)->first );
|
---|
| 140 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(1.) );
|
---|
| 141 | CPPUNIT_ASSERT_EQUAL( 2., histogram->getHigherEndBin(1.)->first );
|
---|
| 142 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(2.) );
|
---|
| 143 | CPPUNIT_ASSERT_EQUAL( 3., histogram->getHigherEndBin(2.)->first );
|
---|
| 144 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(3.) );
|
---|
| 145 | CPPUNIT_ASSERT_EQUAL( 4., histogram->getHigherEndBin(3.)->first );
|
---|
| 146 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(4.) );
|
---|
| 147 | CPPUNIT_ASSERT_EQUAL( 5., histogram->getHigherEndBin(4.)->first );
|
---|
| 148 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getHigherEndBin(5.) );
|
---|
| 149 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(1.5) );
|
---|
| 150 | CPPUNIT_ASSERT_EQUAL( 2., histogram->getHigherEndBin(1.5)->first );
|
---|
| 151 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(2.5) );
|
---|
| 152 | CPPUNIT_ASSERT_EQUAL( 3., histogram->getHigherEndBin(2.5)->first );
|
---|
| 153 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(3.5) );
|
---|
| 154 | CPPUNIT_ASSERT_EQUAL( 4., histogram->getHigherEndBin(3.5)->first );
|
---|
| 155 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(4.5) );
|
---|
| 156 | CPPUNIT_ASSERT_EQUAL( 5., histogram->getHigherEndBin(4.5)->first );
|
---|
| 157 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getHigherEndBin(5.5) );
|
---|
[c4fd03] | 158 |
|
---|
| 159 | // check values outside
|
---|
[1c365e] | 160 | CPPUNIT_ASSERT( histogram->bins.end() != histogram->getHigherEndBin(-.1) );
|
---|
| 161 | CPPUNIT_ASSERT_EQUAL( 1., histogram->getHigherEndBin(-.1)->first );
|
---|
| 162 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getHigherEndBin(5.01) );
|
---|
| 163 | CPPUNIT_ASSERT( histogram->bins.end() == histogram->getHigherEndBin(5.) );
|
---|
[c4fd03] | 164 | }
|
---|
| 165 |
|
---|
[1dd419] | 166 |
|
---|
| 167 | /** UnitTest for getLowerEnd()
|
---|
| 168 | */
|
---|
| 169 | void HistogramTest::getLowerEnd_Test()
|
---|
| 170 | {
|
---|
| 171 | // create non-empty histogram and test
|
---|
| 172 | Histogram::samples_t sampled_values;
|
---|
| 173 | sampled_values += 1.,2.,3.,4.;
|
---|
[6bed1f] | 174 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[1dd419] | 175 |
|
---|
| 176 | // go through each bin and check against getLowerEnd()
|
---|
| 177 | for (Histogram::Bins_t::const_iterator iter = histogram->bins.begin();
|
---|
| 178 | iter != histogram->bins.end(); ++iter)
|
---|
| 179 | CPPUNIT_ASSERT_EQUAL( iter->first, histogram->getLowerEnd(iter->first) );
|
---|
| 180 |
|
---|
| 181 | CPPUNIT_ASSERT_EQUAL( 7., histogram->getLowerEnd(7.2) );
|
---|
| 182 | CPPUNIT_ASSERT_EQUAL( -5., histogram->getLowerEnd(-4.5) );
|
---|
| 183 | CPPUNIT_ASSERT_EQUAL( 4000., histogram->getLowerEnd(4000.1) );
|
---|
| 184 | CPPUNIT_ASSERT_EQUAL( -4001., histogram->getLowerEnd(-4000.9) );
|
---|
| 185 | }
|
---|
| 186 |
|
---|
[1c365e] | 187 | /** UnitTest for isEmpty()
|
---|
[c4fd03] | 188 | */
|
---|
| 189 | void HistogramTest::isEmpty_Test()
|
---|
| 190 | {
|
---|
[6bed1f] | 191 | histogram = new Histogram(1., 1.);
|
---|
[c4fd03] | 192 | // test on empty histogramgram
|
---|
| 193 | CPPUNIT_ASSERT( histogram->isEmpty() );
|
---|
| 194 |
|
---|
| 195 | // create non-empty histogram and test
|
---|
| 196 | Histogram::samples_t sampled_values;
|
---|
| 197 | sampled_values += 1.,2.,3.,4.;
|
---|
| 198 | delete histogram;
|
---|
[6bed1f] | 199 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[c4fd03] | 200 | CPPUNIT_ASSERT( !histogram->isEmpty() );
|
---|
| 201 |
|
---|
| 202 | }
|
---|
| 203 |
|
---|
[45f4f96] | 204 | /** UnitTest for area()
|
---|
| 205 | */
|
---|
| 206 | void HistogramTest::areaTest()
|
---|
| 207 | {
|
---|
[6bed1f] | 208 | histogram = new Histogram(1., 1.);
|
---|
[45f4f96] | 209 | // test on empty histogramgram
|
---|
| 210 | CPPUNIT_ASSERT_EQUAL( 0., histogram->area() );
|
---|
| 211 |
|
---|
| 212 | // create non-empty histogram and sum up
|
---|
| 213 | Histogram::samples_t sampled_values;
|
---|
| 214 | sampled_values += 1.,2.,3.,4., 4.;
|
---|
| 215 | delete histogram;
|
---|
[6bed1f] | 216 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[45f4f96] | 217 | CPPUNIT_ASSERT_EQUAL( 5., histogram->area() );
|
---|
| 218 | Histogram::samples_t more_values;
|
---|
| 219 | more_values += 1.75,2.5,3.;
|
---|
[6bed1f] | 220 | Histogram otherhistogram(more_values, 1.75, .625);
|
---|
[45f4f96] | 221 | CPPUNIT_ASSERT_EQUAL( 3., otherhistogram.area() );
|
---|
| 222 |
|
---|
| 223 | }
|
---|
| 224 |
|
---|
[22c4f57] | 225 | /** UnitTest for superposeOtherHistogram()
|
---|
| 226 | */
|
---|
| 227 | void HistogramTest::superposeOtherHistogram_Test()
|
---|
| 228 | {
|
---|
| 229 | // create two histograms, one is larger
|
---|
| 230 | Histogram::samples_t sampled_values;
|
---|
| 231 | sampled_values += 1.,2.,3.,4.;
|
---|
[6bed1f] | 232 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[22c4f57] | 233 | Histogram::samples_t more_values;
|
---|
| 234 | more_values += 1.75,2.5,3.;
|
---|
[6bed1f] | 235 | Histogram otherhistogram(more_values, 1.75, .625);
|
---|
[e4048f] | 236 |
|
---|
| 237 | // check that size increases
|
---|
| 238 | CPPUNIT_ASSERT_EQUAL( (size_t)3+1, otherhistogram.bins.size() );
|
---|
| 239 | otherhistogram += *histogram;
|
---|
| 240 | const size_t number = (size_t)((
|
---|
| 241 | otherhistogram.getLowerEnd(4.+histogram->binwidth)
|
---|
| 242 | + otherhistogram.binwidth
|
---|
| 243 | - otherhistogram.getLowerEnd(1.))/otherhistogram.binwidth)+1;
|
---|
| 244 | CPPUNIT_ASSERT_EQUAL( number, otherhistogram.bins.size() );
|
---|
[22c4f57] | 245 | }
|
---|
| 246 |
|
---|
| 247 | /** UnitTest for operator+=()
|
---|
| 248 | */
|
---|
| 249 | void HistogramTest::operatorPlusEqual_Test()
|
---|
| 250 | {
|
---|
| 251 | // create non-empty histograms and sum them
|
---|
| 252 | Histogram::samples_t sampled_values;
|
---|
| 253 | sampled_values += 1.,2.,3.,4.;
|
---|
[6bed1f] | 254 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[22c4f57] | 255 |
|
---|
[e4048f] | 256 | // add upon larger
|
---|
| 257 | {
|
---|
| 258 | Histogram::samples_t more_values;
|
---|
| 259 | more_values += 0.5, 1.25, 2.5,3., 4.2;
|
---|
[6bed1f] | 260 | Histogram otherhistogram(more_values, 0.5, .625);
|
---|
[e4048f] | 261 | const double areas = histogram->area() + otherhistogram.area();
|
---|
| 262 |
|
---|
| 263 | // check that sum is now sum of both
|
---|
| 264 | otherhistogram += *histogram;
|
---|
| 265 | // CPPUNIT_ASSERT_EQUAL( areas, otherhistogram.area() );
|
---|
| 266 | CPPUNIT_ASSERT( fabs(areas - otherhistogram.area()) < std::numeric_limits<double>::epsilon()*1e+1 );
|
---|
| 267 | }
|
---|
| 268 |
|
---|
| 269 | // add upon smaller
|
---|
| 270 | {
|
---|
| 271 | Histogram::samples_t more_values;
|
---|
| 272 | more_values += 1.75,2.5,3.;
|
---|
[6bed1f] | 273 | Histogram otherhistogram(more_values, 1.75, .625);
|
---|
[e4048f] | 274 | const double areas = histogram->area() + otherhistogram.area();
|
---|
| 275 |
|
---|
| 276 | // check that sum is now sum of both
|
---|
| 277 | otherhistogram += *histogram;
|
---|
| 278 | // CPPUNIT_ASSERT_EQUAL( areas, otherhistogram.area() );
|
---|
| 279 | CPPUNIT_ASSERT( fabs(areas - otherhistogram.area()) < std::numeric_limits<double>::epsilon()*1e+1 );
|
---|
| 280 | }
|
---|
[22c4f57] | 281 | }
|
---|
| 282 |
|
---|
| 283 | /** UnitTest for operator-=()
|
---|
[c4fd03] | 284 | */
|
---|
[22c4f57] | 285 | void HistogramTest::operatorMinusEqual_Test()
|
---|
[c4fd03] | 286 | {
|
---|
[22c4f57] | 287 | // create non-empty histograms and sum them
|
---|
| 288 | Histogram::samples_t sampled_values;
|
---|
| 289 | sampled_values += 1.,2.,3.,4.;
|
---|
[6bed1f] | 290 | histogram = new Histogram(sampled_values, 1., 1.);
|
---|
[22c4f57] | 291 |
|
---|
[e4048f] | 292 | // subtract smaller
|
---|
| 293 | {
|
---|
| 294 | Histogram::samples_t more_values;
|
---|
[6bed1f] | 295 | more_values += 0.5, 1.25, 2.5,3., 4.2;
|
---|
| 296 | Histogram otherhistogram(more_values, 0.5, .625);
|
---|
[e4048f] | 297 | const double difference = otherhistogram.area() - histogram->area();
|
---|
| 298 |
|
---|
| 299 | // check that sum is now difference of both
|
---|
| 300 | otherhistogram -= *histogram;
|
---|
| 301 | // CPPUNIT_ASSERT_EQUAL( difference, otherhistogram.area() );
|
---|
| 302 | CPPUNIT_ASSERT( fabs(difference - otherhistogram.area()) < std::numeric_limits<double>::epsilon()*1e+1 );
|
---|
| 303 | }
|
---|
| 304 |
|
---|
| 305 | // subtract larger
|
---|
| 306 | {
|
---|
| 307 | Histogram::samples_t more_values;
|
---|
[6bed1f] | 308 | more_values += 1.75,2.5,3.;
|
---|
| 309 | Histogram otherhistogram(more_values, 1.75, .625);
|
---|
[e4048f] | 310 | const double difference = otherhistogram.area() - histogram->area();
|
---|
| 311 |
|
---|
| 312 | // check that sum is now difference of both
|
---|
| 313 | otherhistogram -= *histogram;
|
---|
| 314 | // CPPUNIT_ASSERT_EQUAL( difference, otherhistogram.area() );
|
---|
| 315 | CPPUNIT_ASSERT( fabs(difference - otherhistogram.area()) < std::numeric_limits<double>::epsilon()*1e+1 );
|
---|
| 316 | }
|
---|
[c4fd03] | 317 | }
|
---|
| 318 |
|
---|