Merge release-5-0 into master
[gromacs.git] / src / gromacs / analysisdata / tests / histogram.cpp
blobbaf6774786dff981295a91a577a78a58e67b50b1
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35 /*! \internal \file
36 * \brief
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
41 * are tested.
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44 * out-of-date reference.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 "gmxpre.h"
51 #include <gtest/gtest.h>
53 #include "gromacs/analysisdata/analysisdata.h"
54 #include "gromacs/analysisdata/modules/histogram.h"
56 #include "gromacs/analysisdata/tests/datatest.h"
57 #include "testutils/testasserts.h"
59 using gmx::test::AnalysisDataTestInput;
61 namespace
64 /********************************************************************
65 * Tests for gmx::AnalysisHistogramSettings.
67 * These tests check that gmx::AnalysisHistogramSettings objects can be
68 * initialized from various types of values, and that the bin positions are
69 * computed correctly based on the input values.
72 TEST(AnalysisHistogramSettingsTest, InitializesFromBins)
74 gmx::AnalysisHistogramSettings settings(
75 gmx::histogramFromBins(1.0, 5, 0.5));
76 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
77 EXPECT_EQ(5, settings.binCount());
78 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
79 EXPECT_FLOAT_EQ(3.5, settings.lastEdge());
83 TEST(AnalysisHistogramSettingsTest, InitializesFromBinsWithIntegerBins)
85 gmx::AnalysisHistogramSettings settings(
86 gmx::histogramFromBins(1.0, 5, 0.5).integerBins());
87 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
88 EXPECT_EQ(5, settings.binCount());
89 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
90 EXPECT_FLOAT_EQ(3.25, settings.lastEdge());
94 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCount)
96 gmx::AnalysisHistogramSettings settings(
97 gmx::histogramFromRange(1.0, 4.0).binCount(6));
98 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
99 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
100 EXPECT_EQ(6, settings.binCount());
101 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
105 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidth)
107 gmx::AnalysisHistogramSettings settings(
108 gmx::histogramFromRange(1.0, 4.0).binWidth(0.5));
109 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
110 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
111 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
112 EXPECT_EQ(6, settings.binCount());
116 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCountAndIntegerBins)
118 gmx::AnalysisHistogramSettings settings(
119 gmx::histogramFromRange(1.0, 4.0).binCount(7).integerBins());
120 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
121 EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
122 EXPECT_EQ(7, settings.binCount());
123 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
127 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidthAndIntegerBins)
129 gmx::AnalysisHistogramSettings settings(
130 gmx::histogramFromRange(1.0, 4.0).binWidth(0.5).integerBins());
131 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
132 EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
133 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
134 EXPECT_EQ(7, settings.binCount());
138 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithRoundedRange)
140 gmx::AnalysisHistogramSettings settings(
141 gmx::histogramFromRange(1.2, 3.8).binWidth(0.5).roundRange());
142 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
143 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
144 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
145 EXPECT_EQ(6, settings.binCount());
149 /********************************************************************
150 * Tests for gmx::AnalysisDataSimpleHistogramModule.
153 //! Test fixture for gmx::AnalysisDataSimpleHistogramModule.
154 typedef gmx::test::AnalysisDataTestFixture SimpleHistogramModuleTest;
156 // Input data for gmx::AnalysisDataSimpleHistogramModule tests.
157 class SimpleInputData
159 public:
160 static const AnalysisDataTestInput &get()
162 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
163 static SimpleInputData singleton;
164 return singleton.data_;
165 #else
166 static SimpleInputData singleton_histogram;
167 return singleton_histogram.data_;
168 #endif
171 SimpleInputData() : data_(1, true)
173 using gmx::test::AnalysisDataTestInputFrame;
174 data_.setColumnCount(0, 1);
175 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
176 frame1.addPointSetWithValues(0, 0, 0.7);
177 frame1.addPointSetWithValues(0, 0, 1.1);
178 frame1.addPointSetWithValues(0, 0, 2.3);
179 frame1.addPointSetWithValues(0, 0, 2.9);
180 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
181 frame2.addPointSetWithValues(0, 0, 1.3);
182 frame2.addPointSetWithValues(0, 0, 2.2);
183 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
184 frame3.addPointSetWithValues(0, 0, 3.3);
185 frame3.addPointSetWithValues(0, 0, 1.2);
186 frame3.addPointSetWithValues(0, 0, 1.3);
189 private:
190 AnalysisDataTestInput data_;
193 TEST_F(SimpleHistogramModuleTest, ComputesCorrectly)
195 const AnalysisDataTestInput &input = SimpleInputData::get();
196 gmx::AnalysisData data;
197 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
199 gmx::AnalysisDataSimpleHistogramModulePointer module(
200 new gmx::AnalysisDataSimpleHistogramModule(
201 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
202 data.addModule(module);
204 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
205 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
206 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
207 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
208 &module->averager()));
209 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
210 ASSERT_NO_THROW_GMX(module->averager().done());
214 TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
216 const AnalysisDataTestInput &input = SimpleInputData::get();
217 gmx::AnalysisData data;
218 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
220 gmx::AnalysisDataSimpleHistogramModulePointer module(
221 new gmx::AnalysisDataSimpleHistogramModule(
222 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
223 data.addModule(module);
225 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
226 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
227 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
228 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
229 &module->averager()));
230 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
231 ASSERT_NO_THROW_GMX(module->averager().done());
235 /********************************************************************
236 * Tests for gmx::AnalysisDataWeightedHistogramModule.
239 //! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
240 typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
242 // Input data for both weighted histogram and bin average module tests.
243 class WeightedSimpleInputData
245 public:
246 static const AnalysisDataTestInput &get()
248 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
249 static WeightedSimpleInputData singleton;
250 return singleton.data_;
251 #else
252 static WeightedSimpleInputData singleton_histogram;
253 return singleton_histogram.data_;
254 #endif
257 WeightedSimpleInputData() : data_(1, true)
259 using gmx::test::AnalysisDataTestInputFrame;
260 data_.setColumnCount(0, 2);
261 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
262 frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
263 frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
264 frame1.addPointSetWithValues(0, 0, 2.3, 1.0);
265 frame1.addPointSetWithValues(0, 0, 2.9, 2.0);
266 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
267 frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
268 frame2.addPointSetWithValues(0, 0, 2.2, 3.0);
269 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
270 frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
271 frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
272 frame3.addPointSetWithValues(0, 0, 1.3, 1.0);
275 private:
276 AnalysisDataTestInput data_;
279 // Input data for both weighted histogram and bin average module tests.
280 class WeightedDataSetInputData
282 public:
283 static const AnalysisDataTestInput &get()
285 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
286 static WeightedDataSetInputData singleton;
287 return singleton.data_;
288 #else
289 static WeightedDataSetInputData singleton_histogram;
290 return singleton_histogram.data_;
291 #endif
294 WeightedDataSetInputData() : data_(2, true)
296 using gmx::test::AnalysisDataTestInputFrame;
297 data_.setColumnCount(0, 2);
298 data_.setColumnCount(1, 2);
299 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
300 frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
301 frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
302 frame1.addPointSetWithValues(1, 0, 2.3, 1.0);
303 frame1.addPointSetWithValues(1, 0, 2.9, 2.0);
304 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
305 frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
306 frame2.addPointSetWithValues(1, 0, 2.2, 3.0);
307 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
308 frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
309 frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
310 frame3.addPointSetWithValues(1, 0, 1.3, 1.0);
313 private:
314 AnalysisDataTestInput data_;
317 TEST_F(WeightedHistogramModuleTest, ComputesCorrectly)
319 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
320 gmx::AnalysisData data;
321 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
323 gmx::AnalysisDataWeightedHistogramModulePointer module(
324 new gmx::AnalysisDataWeightedHistogramModule(
325 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
326 data.addModule(module);
328 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
329 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
330 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
331 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
332 &module->averager()));
333 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
334 ASSERT_NO_THROW_GMX(module->averager().done());
338 TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
340 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
341 gmx::AnalysisData data;
342 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
344 gmx::AnalysisDataWeightedHistogramModulePointer module(
345 new gmx::AnalysisDataWeightedHistogramModule(
346 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
347 data.addModule(module);
349 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
350 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
351 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
352 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
353 &module->averager()));
354 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
355 ASSERT_NO_THROW_GMX(module->averager().done());
359 TEST_F(WeightedHistogramModuleTest, HandlesMultipleDataSets)
361 const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
362 gmx::AnalysisData data;
363 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
365 gmx::AnalysisDataWeightedHistogramModulePointer module(
366 new gmx::AnalysisDataWeightedHistogramModule(
367 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
368 data.addModule(module);
370 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
371 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
372 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
373 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
374 &module->averager()));
375 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
376 ASSERT_NO_THROW_GMX(module->averager().done());
380 /********************************************************************
381 * Tests for gmx::AnalysisDataBinAverageModule.
384 //! Test fixture for gmx::AnalysisDataBinAverageModule.
385 typedef gmx::test::AnalysisDataTestFixture BinAverageModuleTest;
387 TEST_F(BinAverageModuleTest, ComputesCorrectly)
389 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
390 gmx::AnalysisData data;
391 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
393 gmx::AnalysisDataBinAverageModulePointer module(
394 new gmx::AnalysisDataBinAverageModule(
395 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
396 data.addModule(module);
398 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
399 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
400 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
401 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
405 TEST_F(BinAverageModuleTest, ComputesCorrectlyWithAll)
407 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
408 gmx::AnalysisData data;
409 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
411 gmx::AnalysisDataBinAverageModulePointer module(
412 new gmx::AnalysisDataBinAverageModule(
413 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
414 data.addModule(module);
416 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
417 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
418 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
419 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
423 TEST_F(BinAverageModuleTest, HandlesMultipleDataSets)
425 const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
426 gmx::AnalysisData data;
427 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
429 gmx::AnalysisDataBinAverageModulePointer module(
430 new gmx::AnalysisDataBinAverageModule(
431 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
432 data.addModule(module);
434 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
435 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
436 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
437 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
441 /********************************************************************
442 * Tests for gmx::AbstractAverageHistogram.
444 * This class derives from gmx::AbstractAnalysisArrayData, and is tested using
445 * corresponding facilities in gmx::test::AnalysisDataTestFixture.
448 //! Test fixture for gmx::AbstractAverageHistogram.
449 typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
451 // Input data for gmx::AbstractAverageHistogram tests.
452 class AverageInputData
454 public:
455 static const AnalysisDataTestInput &get()
457 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
458 static AverageInputData singleton;
459 return singleton.data_;
460 #else
461 static AverageInputData singleton_histogram;
462 return singleton_histogram.data_;
463 #endif
466 AverageInputData() : data_(1, false)
468 data_.setColumnCount(0, 1);
469 data_.addFrameWithValueAndError(1.0, 2.0, 1.0);
470 data_.addFrameWithValueAndError(1.5, 1.0, 1.0);
471 data_.addFrameWithValueAndError(2.0, 3.0, 2.0);
472 data_.addFrameWithValueAndError(2.5, 4.0, 2.0);
473 data_.addFrameWithValueAndError(3.0, 2.0, 1.0);
474 data_.addFrameWithValueAndError(3.5, 0.0, 3.0);
475 data_.addFrameWithValueAndError(4.0, 1.0, 3.0);
478 private:
479 AnalysisDataTestInput data_;
482 /*! \brief
483 * Mock object for testing gmx::AbstractAverageHistogram.
485 * Exposes necessary methods from gmx::AbstractAverageHistogram to use with
486 * gmx::test::AnalysisDataTestFixture::setupArrayData().
488 * \ingroup module_analysisdata
490 class MockAverageHistogram : public gmx::AbstractAverageHistogram
492 public:
493 //! Creates a histogram module with defined bin parameters.
494 explicit MockAverageHistogram(const gmx::AnalysisHistogramSettings &settings)
495 : AbstractAverageHistogram(settings)
499 using AbstractAverageHistogram::init;
500 using AbstractAverageHistogram::setColumnCount;
501 using AbstractAverageHistogram::setRowCount;
502 using AbstractAverageHistogram::allocateValues;
503 using AbstractAverageHistogram::value;
507 TEST_F(AbstractAverageHistogramTest, ClonesCorrectly)
509 const AnalysisDataTestInput &input = AverageInputData::get();
510 MockAverageHistogram data(
511 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
512 setupArrayData(input, &data);
514 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
515 gmx::AverageHistogramPointer copy(data.clone());
516 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy.get()));
517 ASSERT_NO_THROW_GMX(copy->done());
518 ASSERT_NO_THROW_GMX(data.done());
519 gmx::AverageHistogramPointer copy2(data.clone());
520 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy2.get()));
521 ASSERT_NO_THROW_GMX(copy2->done());
525 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidth)
527 const AnalysisDataTestInput &input = AverageInputData::get();
528 MockAverageHistogram data(
529 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
530 setupArrayData(input, &data);
532 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
533 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
534 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(false));
535 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
536 ASSERT_NO_THROW_GMX(data.done());
537 ASSERT_NO_THROW_GMX(resampled->done());
541 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidthWithIntegerBins)
543 const AnalysisDataTestInput &input = AverageInputData::get();
544 MockAverageHistogram data(
545 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
546 setupArrayData(input, &data);
548 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
549 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
550 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(true));
551 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
552 ASSERT_NO_THROW_GMX(data.done());
553 ASSERT_NO_THROW_GMX(resampled->done());
556 } // namespace