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37 * Tests for functionality of analysis data histogram modules.
39 * These tests check that classes in histogram.h compute histograms correctly
40 * with simple input data. Also different ways of initializing the histograms
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44 * out-of-date reference.
46 * \author Teemu Murtola <teemu.murtola@gmail.com>
47 * \ingroup module_analysisdata
49 #include <gtest/gtest.h>
51 #include "gromacs/analysisdata/analysisdata.h"
52 #include "gromacs/analysisdata/modules/histogram.h"
54 #include "testutils/datatest.h"
55 #include "testutils/testasserts.h"
57 using gmx::test::AnalysisDataTestInput;
62 /********************************************************************
63 * Tests for gmx::AnalysisHistogramSettings.
65 * These tests check that gmx::AnalysisHistogramSettings objects can be
66 * initialized from various types of values, and that the bin positions are
67 * computed correctly based on the input values.
70 TEST(AnalysisHistogramSettingsTest, InitializesFromBins)
72 gmx::AnalysisHistogramSettings settings(
73 gmx::histogramFromBins(1.0, 5, 0.5));
74 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
75 EXPECT_EQ(5, settings.binCount());
76 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
77 EXPECT_FLOAT_EQ(3.5, settings.lastEdge());
81 TEST(AnalysisHistogramSettingsTest, InitializesFromBinsWithIntegerBins)
83 gmx::AnalysisHistogramSettings settings(
84 gmx::histogramFromBins(1.0, 5, 0.5).integerBins());
85 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
86 EXPECT_EQ(5, settings.binCount());
87 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
88 EXPECT_FLOAT_EQ(3.25, settings.lastEdge());
92 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCount)
94 gmx::AnalysisHistogramSettings settings(
95 gmx::histogramFromRange(1.0, 4.0).binCount(6));
96 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
97 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
98 EXPECT_EQ(6, settings.binCount());
99 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
103 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidth)
105 gmx::AnalysisHistogramSettings settings(
106 gmx::histogramFromRange(1.0, 4.0).binWidth(0.5));
107 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
108 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
109 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
110 EXPECT_EQ(6, settings.binCount());
114 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCountAndIntegerBins)
116 gmx::AnalysisHistogramSettings settings(
117 gmx::histogramFromRange(1.0, 4.0).binCount(7).integerBins());
118 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
119 EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
120 EXPECT_EQ(7, settings.binCount());
121 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
125 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidthAndIntegerBins)
127 gmx::AnalysisHistogramSettings settings(
128 gmx::histogramFromRange(1.0, 4.0).binWidth(0.5).integerBins());
129 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
130 EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
131 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
132 EXPECT_EQ(7, settings.binCount());
136 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithRoundedRange)
138 gmx::AnalysisHistogramSettings settings(
139 gmx::histogramFromRange(1.2, 3.8).binWidth(0.5).roundRange());
140 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
141 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
142 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
143 EXPECT_EQ(6, settings.binCount());
147 /********************************************************************
148 * Tests for gmx::AnalysisDataSimpleHistogramModule.
151 //! Test fixture for gmx::AnalysisDataSimpleHistogramModule.
152 typedef gmx::test::AnalysisDataTestFixture SimpleHistogramModuleTest;
154 // Input data for gmx::AnalysisDataSimpleHistogramModule tests.
155 class SimpleInputData
158 static const AnalysisDataTestInput &get()
160 static SimpleInputData singleton;
161 return singleton.data_;
164 SimpleInputData() : data_(1, true)
166 using gmx::test::AnalysisDataTestInputFrame;
167 data_.setColumnCount(0, 1);
168 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
169 frame1.addPointSetWithValues(0, 0, 0.7);
170 frame1.addPointSetWithValues(0, 0, 1.1);
171 frame1.addPointSetWithValues(0, 0, 2.3);
172 frame1.addPointSetWithValues(0, 0, 2.9);
173 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
174 frame2.addPointSetWithValues(0, 0, 1.3);
175 frame2.addPointSetWithValues(0, 0, 2.2);
176 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
177 frame3.addPointSetWithValues(0, 0, 3.3);
178 frame3.addPointSetWithValues(0, 0, 1.2);
179 frame3.addPointSetWithValues(0, 0, 1.3);
183 AnalysisDataTestInput data_;
186 TEST_F(SimpleHistogramModuleTest, ComputesCorrectly)
188 const AnalysisDataTestInput &input = SimpleInputData::get();
189 gmx::AnalysisData data;
190 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
192 gmx::AnalysisDataSimpleHistogramModulePointer module(
193 new gmx::AnalysisDataSimpleHistogramModule(
194 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
195 data.addModule(module);
197 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
198 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
199 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
200 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
201 &module->averager()));
202 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
203 ASSERT_NO_THROW_GMX(module->averager().done());
207 TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
209 const AnalysisDataTestInput &input = SimpleInputData::get();
210 gmx::AnalysisData data;
211 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
213 gmx::AnalysisDataSimpleHistogramModulePointer module(
214 new gmx::AnalysisDataSimpleHistogramModule(
215 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
216 data.addModule(module);
218 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
219 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
220 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
221 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
222 &module->averager()));
223 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
224 ASSERT_NO_THROW_GMX(module->averager().done());
228 /********************************************************************
229 * Tests for gmx::AnalysisDataWeightedHistogramModule.
232 //! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
233 typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
235 // Input data for both weighted histogram and bin average module tests.
236 class WeightedSimpleInputData
239 static const AnalysisDataTestInput &get()
241 static WeightedSimpleInputData singleton;
242 return singleton.data_;
245 WeightedSimpleInputData() : data_(1, true)
247 using gmx::test::AnalysisDataTestInputFrame;
248 data_.setColumnCount(0, 2);
249 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
250 frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
251 frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
252 frame1.addPointSetWithValues(0, 0, 2.3, 1.0);
253 frame1.addPointSetWithValues(0, 0, 2.9, 2.0);
254 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
255 frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
256 frame2.addPointSetWithValues(0, 0, 2.2, 3.0);
257 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
258 frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
259 frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
260 frame3.addPointSetWithValues(0, 0, 1.3, 1.0);
264 AnalysisDataTestInput data_;
267 // Input data for both weighted histogram and bin average module tests.
268 class WeightedDataSetInputData
271 static const AnalysisDataTestInput &get()
273 static WeightedDataSetInputData singleton;
274 return singleton.data_;
277 WeightedDataSetInputData() : data_(2, true)
279 using gmx::test::AnalysisDataTestInputFrame;
280 data_.setColumnCount(0, 2);
281 data_.setColumnCount(1, 2);
282 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
283 frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
284 frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
285 frame1.addPointSetWithValues(1, 0, 2.3, 1.0);
286 frame1.addPointSetWithValues(1, 0, 2.9, 2.0);
287 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
288 frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
289 frame2.addPointSetWithValues(1, 0, 2.2, 3.0);
290 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
291 frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
292 frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
293 frame3.addPointSetWithValues(1, 0, 1.3, 1.0);
297 AnalysisDataTestInput data_;
300 TEST_F(WeightedHistogramModuleTest, ComputesCorrectly)
302 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
303 gmx::AnalysisData data;
304 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
306 gmx::AnalysisDataWeightedHistogramModulePointer module(
307 new gmx::AnalysisDataWeightedHistogramModule(
308 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
309 data.addModule(module);
311 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
312 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
313 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
314 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
315 &module->averager()));
316 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
317 ASSERT_NO_THROW_GMX(module->averager().done());
321 TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
323 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
324 gmx::AnalysisData data;
325 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
327 gmx::AnalysisDataWeightedHistogramModulePointer module(
328 new gmx::AnalysisDataWeightedHistogramModule(
329 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
330 data.addModule(module);
332 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
333 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
334 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
335 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
336 &module->averager()));
337 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
338 ASSERT_NO_THROW_GMX(module->averager().done());
342 TEST_F(WeightedHistogramModuleTest, HandlesMultipleDataSets)
344 const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
345 gmx::AnalysisData data;
346 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
348 gmx::AnalysisDataWeightedHistogramModulePointer module(
349 new gmx::AnalysisDataWeightedHistogramModule(
350 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
351 data.addModule(module);
353 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
354 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
355 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
356 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
357 &module->averager()));
358 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
359 ASSERT_NO_THROW_GMX(module->averager().done());
363 /********************************************************************
364 * Tests for gmx::AnalysisDataBinAverageModule.
367 //! Test fixture for gmx::AnalysisDataBinAverageModule.
368 typedef gmx::test::AnalysisDataTestFixture BinAverageModuleTest;
370 TEST_F(BinAverageModuleTest, ComputesCorrectly)
372 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
373 gmx::AnalysisData data;
374 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
376 gmx::AnalysisDataBinAverageModulePointer module(
377 new gmx::AnalysisDataBinAverageModule(
378 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
379 data.addModule(module);
381 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
382 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
383 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
384 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
388 TEST_F(BinAverageModuleTest, ComputesCorrectlyWithAll)
390 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
391 gmx::AnalysisData data;
392 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
394 gmx::AnalysisDataBinAverageModulePointer module(
395 new gmx::AnalysisDataBinAverageModule(
396 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
397 data.addModule(module);
399 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
400 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
401 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
402 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
406 TEST_F(BinAverageModuleTest, HandlesMultipleDataSets)
408 const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
409 gmx::AnalysisData data;
410 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
412 gmx::AnalysisDataBinAverageModulePointer module(
413 new gmx::AnalysisDataBinAverageModule(
414 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
415 data.addModule(module);
417 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
418 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
419 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
420 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
424 /********************************************************************
425 * Tests for gmx::AbstractAverageHistogram.
427 * This class derives from gmx::AbstractAnalysisArrayData, and is tested using
428 * corresponding facilities in gmx::test::AnalysisDataTestFixture.
431 //! Test fixture for gmx::AbstractAverageHistogram.
432 typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
434 // Input data for gmx::AbstractAverageHistogram tests.
435 class AverageInputData
438 static const AnalysisDataTestInput &get()
440 static AverageInputData singleton;
441 return singleton.data_;
444 AverageInputData() : data_(1, false)
446 data_.setColumnCount(0, 1);
447 data_.addFrameWithValueAndError(1.0, 2.0, 1.0);
448 data_.addFrameWithValueAndError(1.5, 1.0, 1.0);
449 data_.addFrameWithValueAndError(2.0, 3.0, 2.0);
450 data_.addFrameWithValueAndError(2.5, 4.0, 2.0);
451 data_.addFrameWithValueAndError(3.0, 2.0, 1.0);
452 data_.addFrameWithValueAndError(3.5, 0.0, 3.0);
453 data_.addFrameWithValueAndError(4.0, 1.0, 3.0);
457 AnalysisDataTestInput data_;
461 * Mock object for testing gmx::AbstractAverageHistogram.
463 * Exposes necessary methods from gmx::AbstractAverageHistogram to use with
464 * gmx::test::AnalysisDataTestFixture::setupArrayData().
466 * \ingroup module_analysisdata
468 class MockAverageHistogram : public gmx::AbstractAverageHistogram
471 MockAverageHistogram() {}
472 //! Creates a histogram module with defined bin parameters.
473 explicit MockAverageHistogram(const gmx::AnalysisHistogramSettings &settings)
474 : AbstractAverageHistogram(settings)
478 using AbstractAverageHistogram::init;
479 using AbstractAverageHistogram::setColumnCount;
480 using AbstractAverageHistogram::setRowCount;
481 using AbstractAverageHistogram::allocateValues;
482 using AbstractAverageHistogram::value;
486 TEST_F(AbstractAverageHistogramTest, ClonesCorrectly)
488 const AnalysisDataTestInput &input = AverageInputData::get();
489 MockAverageHistogram data(
490 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
491 setupArrayData(input, &data);
493 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
494 gmx::AverageHistogramPointer copy(data.clone());
495 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy.get()));
496 ASSERT_NO_THROW_GMX(copy->done());
497 ASSERT_NO_THROW_GMX(data.done());
498 gmx::AverageHistogramPointer copy2(data.clone());
499 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy2.get()));
500 ASSERT_NO_THROW_GMX(copy2->done());
504 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidth)
506 const AnalysisDataTestInput &input = AverageInputData::get();
507 MockAverageHistogram data(
508 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
509 setupArrayData(input, &data);
511 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
512 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
513 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(false));
514 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
515 ASSERT_NO_THROW_GMX(data.done());
516 ASSERT_NO_THROW_GMX(resampled->done());
520 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidthWithIntegerBins)
522 const AnalysisDataTestInput &input = AverageInputData::get();
523 MockAverageHistogram data(
524 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
525 setupArrayData(input, &data);
527 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
528 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
529 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(true));
530 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
531 ASSERT_NO_THROW_GMX(data.done());
532 ASSERT_NO_THROW_GMX(resampled->done());