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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44 * out-of-date reference.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 <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
;
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
160 static const AnalysisDataTestInput
&get()
162 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
163 static SimpleInputData singleton
;
164 return singleton
.data_
;
166 static SimpleInputData singleton_histogram
;
167 return singleton_histogram
.data_
;
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);
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
246 static const AnalysisDataTestInput
&get()
248 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
249 static WeightedSimpleInputData singleton
;
250 return singleton
.data_
;
252 static WeightedSimpleInputData singleton_histogram
;
253 return singleton_histogram
.data_
;
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);
276 AnalysisDataTestInput data_
;
279 // Input data for both weighted histogram and bin average module tests.
280 class WeightedDataSetInputData
283 static const AnalysisDataTestInput
&get()
285 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
286 static WeightedDataSetInputData singleton
;
287 return singleton
.data_
;
289 static WeightedDataSetInputData singleton_histogram
;
290 return singleton_histogram
.data_
;
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);
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
455 static const AnalysisDataTestInput
&get()
457 #ifndef INTEL_STATIC_ANON_NAMESPACE_BUG
458 static AverageInputData singleton
;
459 return singleton
.data_
;
461 static AverageInputData singleton_histogram
;
462 return singleton_histogram
.data_
;
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);
479 AnalysisDataTestInput data_
;
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
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());