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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44 * out-of-date reference.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
51 #include "gromacs/analysisdata/modules/histogram.h"
53 #include <gtest/gtest.h>
55 #include "gromacs/analysisdata/analysisdata.h"
57 #include "gromacs/analysisdata/tests/datatest.h"
58 #include "testutils/testasserts.h"
60 using gmx::test::AnalysisDataTestInput;
65 /********************************************************************
66 * Tests for gmx::AnalysisHistogramSettings.
68 * These tests check that gmx::AnalysisHistogramSettings objects can be
69 * initialized from various types of values, and that the bin positions are
70 * computed correctly based on the input values.
73 TEST(AnalysisHistogramSettingsTest, InitializesFromBins)
75 gmx::AnalysisHistogramSettings settings(
76 gmx::histogramFromBins(1.0, 5, 0.5));
77 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
78 EXPECT_EQ(5, settings.binCount());
79 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
80 EXPECT_FLOAT_EQ(3.5, settings.lastEdge());
84 TEST(AnalysisHistogramSettingsTest, InitializesFromBinsWithIntegerBins)
86 gmx::AnalysisHistogramSettings settings(
87 gmx::histogramFromBins(1.0, 5, 0.5).integerBins());
88 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
89 EXPECT_EQ(5, settings.binCount());
90 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
91 EXPECT_FLOAT_EQ(3.25, settings.lastEdge());
95 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCount)
97 gmx::AnalysisHistogramSettings settings(
98 gmx::histogramFromRange(1.0, 4.0).binCount(6));
99 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
100 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
101 EXPECT_EQ(6, settings.binCount());
102 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
106 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidth)
108 gmx::AnalysisHistogramSettings settings(
109 gmx::histogramFromRange(1.0, 4.0).binWidth(0.5));
110 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
111 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
112 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
113 EXPECT_EQ(6, settings.binCount());
117 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCountAndIntegerBins)
119 gmx::AnalysisHistogramSettings settings(
120 gmx::histogramFromRange(1.0, 4.0).binCount(7).integerBins());
121 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
122 EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
123 EXPECT_EQ(7, settings.binCount());
124 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
128 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidthAndIntegerBins)
130 gmx::AnalysisHistogramSettings settings(
131 gmx::histogramFromRange(1.0, 4.0).binWidth(0.5).integerBins());
132 EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
133 EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
134 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
135 EXPECT_EQ(7, settings.binCount());
139 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithRoundedRange)
141 gmx::AnalysisHistogramSettings settings(
142 gmx::histogramFromRange(1.2, 3.8).binWidth(0.5).roundRange());
143 EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
144 EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
145 EXPECT_FLOAT_EQ(0.5, settings.binWidth());
146 EXPECT_EQ(6, settings.binCount());
150 /********************************************************************
151 * Tests for gmx::AnalysisDataSimpleHistogramModule.
154 //! Test fixture for gmx::AnalysisDataSimpleHistogramModule.
155 typedef gmx::test::AnalysisDataTestFixture SimpleHistogramModuleTest;
157 // Input data for gmx::AnalysisDataSimpleHistogramModule tests.
158 class SimpleInputData
161 static const AnalysisDataTestInput &get()
163 #ifndef STATIC_ANON_NAMESPACE_BUG
164 static SimpleInputData singleton;
165 return singleton.data_;
167 static SimpleInputData singleton_histogram;
168 return singleton_histogram.data_;
172 SimpleInputData() : data_(1, true)
174 using gmx::test::AnalysisDataTestInputFrame;
175 data_.setColumnCount(0, 1);
176 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
177 frame1.addPointSetWithValues(0, 0, 0.7);
178 frame1.addPointSetWithValues(0, 0, 1.1);
179 frame1.addPointSetWithValues(0, 0, 2.3);
180 frame1.addPointSetWithValues(0, 0, 2.9);
181 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
182 frame2.addPointSetWithValues(0, 0, 1.3);
183 frame2.addPointSetWithValues(0, 0, 2.2);
184 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
185 frame3.addPointSetWithValues(0, 0, 3.3);
186 frame3.addPointSetWithValues(0, 0, 1.2);
187 frame3.addPointSetWithValues(0, 0, 1.3);
191 AnalysisDataTestInput data_;
194 TEST_F(SimpleHistogramModuleTest, ComputesCorrectly)
196 const AnalysisDataTestInput &input = SimpleInputData::get();
197 gmx::AnalysisData data;
198 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
200 gmx::AnalysisDataSimpleHistogramModulePointer module(
201 new gmx::AnalysisDataSimpleHistogramModule(
202 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
203 data.addModule(module);
205 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
206 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
207 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
208 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
209 &module->averager()));
210 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
211 ASSERT_NO_THROW_GMX(module->averager().done());
215 TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
217 const AnalysisDataTestInput &input = SimpleInputData::get();
218 gmx::AnalysisData data;
219 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
221 gmx::AnalysisDataSimpleHistogramModulePointer module(
222 new gmx::AnalysisDataSimpleHistogramModule(
223 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
224 data.addModule(module);
226 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
227 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
228 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
229 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
230 &module->averager()));
231 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
232 ASSERT_NO_THROW_GMX(module->averager().done());
236 /********************************************************************
237 * Tests for gmx::AnalysisDataWeightedHistogramModule.
240 //! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
241 typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
243 // Input data for both weighted histogram and bin average module tests.
244 class WeightedSimpleInputData
247 static const AnalysisDataTestInput &get()
249 #ifndef STATIC_ANON_NAMESPACE_BUG
250 static WeightedSimpleInputData singleton;
251 return singleton.data_;
253 static WeightedSimpleInputData singleton_histogram;
254 return singleton_histogram.data_;
258 WeightedSimpleInputData() : data_(1, true)
260 using gmx::test::AnalysisDataTestInputFrame;
261 data_.setColumnCount(0, 2);
262 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
263 frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
264 frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
265 frame1.addPointSetWithValues(0, 0, 2.3, 1.0);
266 frame1.addPointSetWithValues(0, 0, 2.9, 2.0);
267 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
268 frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
269 frame2.addPointSetWithValues(0, 0, 2.2, 3.0);
270 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
271 frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
272 frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
273 frame3.addPointSetWithValues(0, 0, 1.3, 1.0);
277 AnalysisDataTestInput data_;
280 // Input data for both weighted histogram and bin average module tests.
281 class WeightedDataSetInputData
284 static const AnalysisDataTestInput &get()
286 #ifndef STATIC_ANON_NAMESPACE_BUG
287 static WeightedDataSetInputData singleton;
288 return singleton.data_;
290 static WeightedDataSetInputData singleton_histogram;
291 return singleton_histogram.data_;
295 WeightedDataSetInputData() : data_(2, true)
297 using gmx::test::AnalysisDataTestInputFrame;
298 data_.setColumnCount(0, 2);
299 data_.setColumnCount(1, 2);
300 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
301 frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
302 frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
303 frame1.addPointSetWithValues(1, 0, 2.3, 1.0);
304 frame1.addPointSetWithValues(1, 0, 2.9, 2.0);
305 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
306 frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
307 frame2.addPointSetWithValues(1, 0, 2.2, 3.0);
308 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
309 frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
310 frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
311 frame3.addPointSetWithValues(1, 0, 1.3, 1.0);
315 AnalysisDataTestInput data_;
318 TEST_F(WeightedHistogramModuleTest, ComputesCorrectly)
320 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
321 gmx::AnalysisData data;
322 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
324 gmx::AnalysisDataWeightedHistogramModulePointer module(
325 new gmx::AnalysisDataWeightedHistogramModule(
326 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
327 data.addModule(module);
329 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
330 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
331 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
332 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
333 &module->averager()));
334 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
335 ASSERT_NO_THROW_GMX(module->averager().done());
339 TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
341 const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
342 gmx::AnalysisData data;
343 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
345 gmx::AnalysisDataWeightedHistogramModulePointer module(
346 new gmx::AnalysisDataWeightedHistogramModule(
347 gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
348 data.addModule(module);
350 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
351 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
352 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
353 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
354 &module->averager()));
355 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
356 ASSERT_NO_THROW_GMX(module->averager().done());
360 TEST_F(WeightedHistogramModuleTest, HandlesMultipleDataSets)
362 const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
363 gmx::AnalysisData data;
364 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
366 gmx::AnalysisDataWeightedHistogramModulePointer module(
367 new gmx::AnalysisDataWeightedHistogramModule(
368 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
369 data.addModule(module);
371 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
372 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
373 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
374 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
375 &module->averager()));
376 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
377 ASSERT_NO_THROW_GMX(module->averager().done());
381 /********************************************************************
382 * Tests for gmx::AnalysisDataBinAverageModule.
385 //! Test fixture for gmx::AnalysisDataBinAverageModule.
386 typedef gmx::test::AnalysisDataTestFixture BinAverageModuleTest;
388 TEST_F(BinAverageModuleTest, ComputesCorrectly)
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)));
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, ComputesCorrectlyWithAll)
408 const AnalysisDataTestInput &input = WeightedSimpleInputData::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).includeAll()));
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 TEST_F(BinAverageModuleTest, HandlesMultipleDataSets)
426 const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
427 gmx::AnalysisData data;
428 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
430 gmx::AnalysisDataBinAverageModulePointer module(
431 new gmx::AnalysisDataBinAverageModule(
432 gmx::histogramFromRange(1.0, 3.0).binCount(4)));
433 data.addModule(module);
435 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
436 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
437 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
438 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
442 /********************************************************************
443 * Tests for gmx::AbstractAverageHistogram.
445 * This class derives from gmx::AbstractAnalysisArrayData, and is tested using
446 * corresponding facilities in gmx::test::AnalysisDataTestFixture.
449 //! Test fixture for gmx::AbstractAverageHistogram.
450 typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
452 // Input data for gmx::AbstractAverageHistogram tests.
453 class AverageInputData
456 static const AnalysisDataTestInput &get()
458 #ifndef STATIC_ANON_NAMESPACE_BUG
459 static AverageInputData singleton;
460 return singleton.data_;
462 static AverageInputData singleton_histogram;
463 return singleton_histogram.data_;
467 AverageInputData() : data_(1, false)
469 data_.setColumnCount(0, 1);
470 data_.addFrameWithValueAndError(1.0, 2.0, 1.0);
471 data_.addFrameWithValueAndError(1.5, 1.0, 1.0);
472 data_.addFrameWithValueAndError(2.0, 3.0, 2.0);
473 data_.addFrameWithValueAndError(2.5, 4.0, 2.0);
474 data_.addFrameWithValueAndError(3.0, 2.0, 1.0);
475 data_.addFrameWithValueAndError(3.5, 0.0, 3.0);
476 data_.addFrameWithValueAndError(4.0, 1.0, 3.0);
480 AnalysisDataTestInput data_;
484 * Mock object for testing gmx::AbstractAverageHistogram.
486 * Exposes necessary methods from gmx::AbstractAverageHistogram to use with
487 * gmx::test::AnalysisDataTestFixture::setupArrayData().
489 * \ingroup module_analysisdata
491 class MockAverageHistogram : public gmx::AbstractAverageHistogram
494 //! Creates a histogram module with defined bin parameters.
495 explicit MockAverageHistogram(const gmx::AnalysisHistogramSettings &settings)
496 : AbstractAverageHistogram(settings)
500 using AbstractAverageHistogram::init;
501 using AbstractAverageHistogram::setColumnCount;
502 using AbstractAverageHistogram::setRowCount;
503 using AbstractAverageHistogram::allocateValues;
504 using AbstractAverageHistogram::value;
508 TEST_F(AbstractAverageHistogramTest, ClonesCorrectly)
510 const AnalysisDataTestInput &input = AverageInputData::get();
511 MockAverageHistogram data(
512 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
513 setupArrayData(input, &data);
515 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
516 gmx::AverageHistogramPointer copy(data.clone());
517 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy.get()));
518 ASSERT_NO_THROW_GMX(copy->done());
519 ASSERT_NO_THROW_GMX(data.done());
520 gmx::AverageHistogramPointer copy2(data.clone());
521 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy2.get()));
522 ASSERT_NO_THROW_GMX(copy2->done());
526 TEST_F(AbstractAverageHistogramTest, ComputesCumulativeHistogram)
528 const AnalysisDataTestInput &input = AverageInputData::get();
529 MockAverageHistogram data(
530 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
531 setupArrayData(input, &data);
533 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
534 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
535 ASSERT_NO_THROW_GMX(data.done());
537 gmx::AverageHistogramPointer cumulative(data.clone());
538 cumulative->makeCumulative();
539 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("CumulativeHistogram", cumulative.get()));
540 ASSERT_NO_THROW_GMX(cumulative->done());
544 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidth)
546 const AnalysisDataTestInput &input = AverageInputData::get();
547 MockAverageHistogram data(
548 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
549 setupArrayData(input, &data);
551 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
552 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
553 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(false));
554 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
555 ASSERT_NO_THROW_GMX(data.done());
556 ASSERT_NO_THROW_GMX(resampled->done());
560 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidthWithIntegerBins)
562 const AnalysisDataTestInput &input = AverageInputData::get();
563 MockAverageHistogram data(
564 gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
565 setupArrayData(input, &data);
567 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
568 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
569 gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(true));
570 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
571 ASSERT_NO_THROW_GMX(data.done());
572 ASSERT_NO_THROW_GMX(resampled->done());