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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44 * out-of-date reference.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 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
168 frame1.addPointSetWithValues(0, 0.7);
169 frame1.addPointSetWithValues(0, 1.1);
170 frame1.addPointSetWithValues(0, 2.3);
171 frame1.addPointSetWithValues(0, 2.9);
172 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
173 frame2.addPointSetWithValues(0, 1.3);
174 frame2.addPointSetWithValues(0, 2.2);
175 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
176 frame3.addPointSetWithValues(0, 3.3);
177 frame3.addPointSetWithValues(0, 1.2);
178 frame3.addPointSetWithValues(0, 1.3);
182 AnalysisDataTestInput data_;
185 TEST_F(SimpleHistogramModuleTest, ComputesCorrectly)
187 const AnalysisDataTestInput &input = SimpleInputData::get();
188 gmx::AnalysisData data;
189 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
191 gmx::AnalysisDataSimpleHistogramModulePointer module(
192 new gmx::AnalysisDataSimpleHistogramModule(
193 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
194 data.addModule(module);
196 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
197 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
198 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
199 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
200 &module->averager()));
201 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
202 ASSERT_NO_THROW_GMX(module->averager().done());
206 TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
208 const AnalysisDataTestInput &input = SimpleInputData::get();
209 gmx::AnalysisData data;
210 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
212 gmx::AnalysisDataSimpleHistogramModulePointer module(
213 new gmx::AnalysisDataSimpleHistogramModule(
214 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
215 data.addModule(module);
217 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
218 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
219 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
220 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
221 &module->averager()));
222 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
223 ASSERT_NO_THROW_GMX(module->averager().done());
227 /********************************************************************
228 * Tests for gmx::AnalysisDataWeightedHistogramModule.
231 //! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
232 typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
234 // Input data for both weighted histogram and bin average module tests.
235 class WeightedInputData
238 static const AnalysisDataTestInput &get()
240 static WeightedInputData singleton;
241 return singleton.data_;
244 WeightedInputData() : data_(2, true)
246 using gmx::test::AnalysisDataTestInputFrame;
247 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
248 frame1.addPointSetWithValues(0, 0.7, 0.5);
249 frame1.addPointSetWithValues(0, 1.1, 1.0);
250 frame1.addPointSetWithValues(0, 2.3, 1.0);
251 frame1.addPointSetWithValues(0, 2.9, 2.0);
252 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
253 frame2.addPointSetWithValues(0, 1.3, 1.0);
254 frame2.addPointSetWithValues(0, 2.2, 3.0);
255 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
256 frame3.addPointSetWithValues(0, 3.3, 0.5);
257 frame3.addPointSetWithValues(0, 1.2, 2.0);
258 frame3.addPointSetWithValues(0, 1.3, 1.0);
262 AnalysisDataTestInput data_;
265 TEST_F(WeightedHistogramModuleTest, ComputesCorrectly)
267 const AnalysisDataTestInput &input = WeightedInputData::get();
268 gmx::AnalysisData data;
269 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
271 gmx::AnalysisDataWeightedHistogramModulePointer module(
272 new gmx::AnalysisDataWeightedHistogramModule(
273 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
274 data.addModule(module);
276 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
277 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
278 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
279 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
280 &module->averager()));
281 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
282 ASSERT_NO_THROW_GMX(module->averager().done());
286 TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
288 const AnalysisDataTestInput &input = WeightedInputData::get();
289 gmx::AnalysisData data;
290 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
292 gmx::AnalysisDataWeightedHistogramModulePointer module(
293 new gmx::AnalysisDataWeightedHistogramModule(
294 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
295 data.addModule(module);
297 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
298 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
299 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
300 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
301 &module->averager()));
302 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
303 ASSERT_NO_THROW_GMX(module->averager().done());
307 /********************************************************************
308 * Tests for gmx::AnalysisDataBinAverageModule.
311 //! Test fixture for gmx::AnalysisDataBinAverageModule.
312 typedef gmx::test::AnalysisDataTestFixture BinAverageModuleTest;
314 TEST_F(BinAverageModuleTest, ComputesCorrectly)
316 const AnalysisDataTestInput &input = WeightedInputData::get();
317 gmx::AnalysisData data;
318 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
320 gmx::AnalysisDataBinAverageModulePointer module(
321 new gmx::AnalysisDataBinAverageModule(
322 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
323 data.addModule(module);
325 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
326 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
327 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
328 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
332 TEST_F(BinAverageModuleTest, ComputesCorrectlyWithAll)
334 const AnalysisDataTestInput &input = WeightedInputData::get();
335 gmx::AnalysisData data;
336 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
338 gmx::AnalysisDataBinAverageModulePointer module(
339 new gmx::AnalysisDataBinAverageModule(
340 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
341 data.addModule(module);
343 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
344 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
345 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
346 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
350 /********************************************************************
351 * Tests for gmx::AbstractAverageHistogram.
353 * This class derives from gmx::AbstractAnalysisArrayData, and is tested using
354 * corresponding facilities in gmx::test::AnalysisDataTestFixture.
357 //! Test fixture for gmx::AbstractAverageHistogram.
358 typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
360 // Input data for gmx::AbstractAverageHistogram tests.
361 class AverageInputData
364 static const AnalysisDataTestInput &get()
366 static AverageInputData singleton;
367 return singleton.data_;
370 AverageInputData() : data_(2, false)
372 data_.addFrameWithValues(1.0, 2.0, 1.0);
373 data_.addFrameWithValues(1.5, 1.0, 1.0);
374 data_.addFrameWithValues(2.0, 3.0, 2.0);
375 data_.addFrameWithValues(2.5, 4.0, 2.0);
376 data_.addFrameWithValues(3.0, 2.0, 1.0);
377 data_.addFrameWithValues(3.5, 0.0, 3.0);
378 data_.addFrameWithValues(4.0, 1.0, 3.0);
382 AnalysisDataTestInput data_;
386 * Mock object for testing gmx::AbstractAverageHistogram.
388 * Exposes necessary methods from gmx::AbstractAverageHistogram to use with
389 * gmx::test::AnalysisDataTestFixture::setupArrayData().
391 class MockAverageHistogram : public gmx::AbstractAverageHistogram
394 MockAverageHistogram() {}
395 //! Creates a histogram module with defined bin parameters.
396 explicit MockAverageHistogram(const gmx::AnalysisHistogramSettings &settings)
397 : AbstractAverageHistogram(settings)
401 using AbstractAverageHistogram::init;
402 using AbstractAverageHistogram::setColumnCount;
403 using AbstractAverageHistogram::setRowCount;
404 using AbstractAverageHistogram::allocateValues;
405 using AbstractAverageHistogram::setValue;
409 TEST_F(AbstractAverageHistogramTest, ClonesCorrectly)
411 const AnalysisDataTestInput &input = AverageInputData::get();
412 MockAverageHistogram data(
413 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
414 setupArrayData(input, &data);
416 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
417 gmx::AverageHistogramPointer copy(data.clone());
418 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy.get()));
419 ASSERT_NO_THROW_GMX(copy->done());
420 ASSERT_NO_THROW_GMX(data.done());
421 gmx::AverageHistogramPointer copy2(data.clone());
422 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy2.get()));
423 ASSERT_NO_THROW_GMX(copy2->done());
427 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidth)
429 const AnalysisDataTestInput &input = AverageInputData::get();
430 MockAverageHistogram data(
431 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
432 setupArrayData(input, &data);
434 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
435 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
436 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(false));
437 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
438 ASSERT_NO_THROW_GMX(data.done());
439 ASSERT_NO_THROW_GMX(resampled->done());
443 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidthWithIntegerBins)
445 const AnalysisDataTestInput &input = AverageInputData::get();
446 MockAverageHistogram data(
447 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
448 setupArrayData(input, &data);
450 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
451 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
452 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(true));
453 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
454 ASSERT_NO_THROW_GMX(data.done());
455 ASSERT_NO_THROW_GMX(resampled->done());