src/gromacs/analysisdata/tests/average.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Tests for functionality of analysis data averaging modules.
  38  *
  39  * These tests check that gmx::AnalysisDataAverageModule and
  40  * gmx::AnalysisDataFrameAverageModule compute averages correctly with simple
  41  * input data.
  42  * Checking is done using gmx::test::AnalysisDataTestFixture and reference
  43  * data.  Also the input data is written to the reference data to catch
  44  * out-of-date reference.
  45  *
  46  * \author Teemu Murtola <teemu.murtola@gmail.com>
  47  * \ingroup module_analysisdata
  48  */
  49 #include "gmxpre.h"
  50
  51 #include "gromacs/analysisdata/modules/average.h"
  52
  53 #include <gtest/gtest.h>
  54
  55 #include "gromacs/analysisdata/analysisdata.h"
  56
  57 #include "gromacs/analysisdata/tests/datatest.h"
  58 #include "testutils/testasserts.h"
  59
  60 using gmx::test::AnalysisDataTestInput;
  61
  62 namespace
  63 {
  64
  65 // Simple input data for gmx::AnalysisDataAverageModule tests.
  66 class SimpleInputData
  67 {
  68     public:
  69         static const AnalysisDataTestInput &get()
  70         {
  71 #ifndef STATIC_ANON_NAMESPACE_BUG
  72             static SimpleInputData singleton;
  73             return singleton.data_;
  74 #else
  75             static SimpleInputData singleton_average;
  76             return singleton_average.data_;
  77 #endif
  78         }
  79
  80         SimpleInputData() : data_(1, false)
  81         {
  82             data_.setColumnCount(0, 3);
  83             data_.addFrameWithValues(1.0,  0.0, 1.0, 2.0);
  84             data_.addFrameWithValues(2.0,  1.0, 1.0, 1.0);
  85             data_.addFrameWithValues(3.0,  2.0, 0.0, 0.0);
  86         }
  87
  88     private:
  89         AnalysisDataTestInput  data_;
  90 };
  91
  92 // Multipoint input data for gmx::AnalysisDataAverageModule tests.
  93 class MultipointInputData
  94 {
  95     public:
  96         static const AnalysisDataTestInput &get()
  97         {
  98 #ifndef STATIC_ANON_NAMESPACE_BUG
  99             static MultipointInputData singleton;
 100             return singleton.data_;
 101 #else
 102             static MultipointInputData singleton_average;
 103             return singleton_average.data_;
 104 #endif
 105         }
 106
 107         MultipointInputData() : data_(1, true)
 108         {
 109             using gmx::test::AnalysisDataTestInputFrame;
 110             data_.setColumnCount(0, 3);
 111             AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
 112             frame1.addPointSetWithValues(0, 0, 0.0, 1.0, 2.0);
 113             frame1.addPointSetWithValues(0, 0, 1.0, 0.0);
 114             frame1.addPointSetWithValues(0, 0, 2.0);
 115             AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
 116             frame2.addPointSetWithValues(0, 0, 1.0, 1.0);
 117             frame2.addPointSetWithValues(0, 0, 2.0);
 118             AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
 119             frame3.addPointSetWithValues(0, 0, 2.0, 0.0, 0.0);
 120         }
 121
 122     private:
 123         AnalysisDataTestInput  data_;
 124 };
 125
 126 // Input data with multiple data sets for gmx::AnalysisDataAverageModule tests.
 127 class MultiDataSetInputData
 128 {
 129     public:
 130         static const AnalysisDataTestInput &get()
 131         {
 132 #ifndef STATIC_ANON_NAMESPACE_BUG
 133             static MultiDataSetInputData singleton;
 134             return singleton.data_;
 135 #else
 136             static MultiDataSetInputData singleton_average;
 137             return singleton_average.data_;
 138 #endif
 139         }
 140
 141         MultiDataSetInputData() : data_(2, true)
 142         {
 143             using gmx::test::AnalysisDataTestInputFrame;
 144             data_.setColumnCount(0, 3);
 145             data_.setColumnCount(1, 2);
 146             AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
 147             frame1.addPointSetWithValues(0, 0, 0.0, 1.0, 2.0);
 148             frame1.addPointSetWithValues(0, 0, 1.0, 0.0);
 149             frame1.addPointSetWithValues(1, 0, 2.0, 1.0);
 150             frame1.addPointSetWithValues(1, 1, 2.0);
 151             AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
 152             frame2.addPointSetWithValues(0, 0, 1.0, 1.0);
 153             frame2.addPointSetWithValues(0, 2, 2.0);
 154             frame2.addPointSetWithValues(1, 0, 1.0, 0.0);
 155             AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
 156             frame3.addPointSetWithValues(0, 0, 2.0, 0.0, 0.0);
 157             frame3.addPointSetWithValues(1, 0, 0.0, 2.0);
 158         }
 159
 160     private:
 161         AnalysisDataTestInput  data_;
 162 };
 163
 164
 165 /********************************************************************
 166  * Tests for gmx::AnalysisDataAverageModule.
 167  */
 168
 169 //! Test fixture for gmx::AnalysisDataAverageModule.
 170 typedef gmx::test::AnalysisDataTestFixture AverageModuleTest;
 171
 172 TEST_F(AverageModuleTest, BasicTest)
 173 {
 174     const AnalysisDataTestInput &input = SimpleInputData::get();
 175     gmx::AnalysisData            data;
 176     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 177
 178     gmx::AnalysisDataAverageModulePointer module(
 179             new gmx::AnalysisDataAverageModule);
 180     data.addModule(module);
 181
 182     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 183     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 184     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
 185     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 186 }
 187
 188 TEST_F(AverageModuleTest, HandlesMultipointData)
 189 {
 190     const AnalysisDataTestInput &input = MultipointInputData::get();
 191     gmx::AnalysisData            data;
 192     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 193
 194     gmx::AnalysisDataAverageModulePointer module(
 195             new gmx::AnalysisDataAverageModule);
 196     data.addModule(module);
 197
 198     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 199     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 200     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
 201     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 202 }
 203
 204 TEST_F(AverageModuleTest, HandlesMultipleDataSets)
 205 {
 206     const AnalysisDataTestInput &input = MultiDataSetInputData::get();
 207     gmx::AnalysisData            data;
 208     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 209
 210     gmx::AnalysisDataAverageModulePointer module(
 211             new gmx::AnalysisDataAverageModule);
 212     data.addModule(module);
 213
 214     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 215     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 216     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
 217     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 218 }
 219
 220 TEST_F(AverageModuleTest, HandlesDataSetAveraging)
 221 {
 222     const AnalysisDataTestInput &input = MultiDataSetInputData::get();
 223     gmx::AnalysisData            data;
 224     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 225
 226     gmx::AnalysisDataAverageModulePointer module(
 227             new gmx::AnalysisDataAverageModule);
 228     module->setAverageDataSets(true);
 229     data.addModule(module);
 230
 231     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 232     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 233     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
 234     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 235 }
 236
 237 TEST_F(AverageModuleTest, CanCustomizeXAxis)
 238 {
 239     const AnalysisDataTestInput &input = SimpleInputData::get();
 240     gmx::AnalysisData            data;
 241     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 242
 243     gmx::AnalysisDataAverageModulePointer module(new gmx::AnalysisDataAverageModule());
 244     data.addModule(module);
 245     module->setXAxis(0.5, 0.5);
 246
 247     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 248     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 249     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
 250     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 251 }
 252
 253 TEST_F(AverageModuleTest, CanCustomizeNonUniformXAxis)
 254 {
 255     const AnalysisDataTestInput &input = SimpleInputData::get();
 256     gmx::AnalysisData            data;
 257     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 258
 259     gmx::AnalysisDataAverageModulePointer module(new gmx::AnalysisDataAverageModule());
 260     data.addModule(module);
 261     module->setXAxisValue(0, 2.0);
 262     module->setXAxisValue(1, 3.0);
 263     module->setXAxisValue(2, 5.0);
 264
 265     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 266     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 267     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
 268     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 269 }
 270
 271 /********************************************************************
 272  * Tests for gmx::AnalysisDataFrameAverageModule.
 273  */
 274
 275 //! Test fixture for gmx::AnalysisDataFrameAverageModule.
 276 typedef gmx::test::AnalysisDataTestFixture FrameAverageModuleTest;
 277
 278 TEST_F(FrameAverageModuleTest, BasicTest)
 279 {
 280     const AnalysisDataTestInput &input = SimpleInputData::get();
 281     gmx::AnalysisData            data;
 282     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 283
 284     gmx::AnalysisDataFrameAverageModulePointer module(
 285             new gmx::AnalysisDataFrameAverageModule);
 286     data.addModule(module);
 287
 288     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 289     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 290     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("FrameAverage", module.get()));
 291     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 292 }
 293
 294 TEST_F(FrameAverageModuleTest, HandlesMultipleDataSets)
 295 {
 296     const AnalysisDataTestInput &input = MultiDataSetInputData::get();
 297     gmx::AnalysisData            data;
 298     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
 299
 300     gmx::AnalysisDataFrameAverageModulePointer module(
 301             new gmx::AnalysisDataFrameAverageModule);
 302     data.addModule(module);
 303
 304     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
 305     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
 306     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("FrameAverage", module.get()));
 307     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
 308 }
 309
 310 } // namespace