SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / analysisdata / tests / histogram.cpp
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35 /*! \internal \file
36  * \brief
37  * Tests for functionality of analysis data histogram modules.
38  *
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44  * out-of-date reference.
45  *
46  * \author Teemu Murtola <teemu.murtola@gmail.com>
47  * \ingroup module_analysisdata
48  */
49 #include "gmxpre.h"
50
51 #include "gromacs/analysisdata/modules/histogram.h"
52
53 #include <gtest/gtest.h>
54
55 #include "gromacs/analysisdata/analysisdata.h"
56
57 #include "gromacs/analysisdata/tests/datatest.h"
58 #include "testutils/testasserts.h"
59
60 using gmx::test::AnalysisDataTestInput;
61
62 namespace
63 {
64
65 /********************************************************************
66  * Tests for gmx::AnalysisHistogramSettings.
67  *
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.
71  */
72
73 TEST(AnalysisHistogramSettingsTest, InitializesFromBins)
74 {
75     gmx::AnalysisHistogramSettings settings(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());
80 }
81
82
83 TEST(AnalysisHistogramSettingsTest, InitializesFromBinsWithIntegerBins)
84 {
85     gmx::AnalysisHistogramSettings settings(gmx::histogramFromBins(1.0, 5, 0.5).integerBins());
86     EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
87     EXPECT_EQ(5, settings.binCount());
88     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
89     EXPECT_FLOAT_EQ(3.25, settings.lastEdge());
90 }
91
92
93 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCount)
94 {
95     gmx::AnalysisHistogramSettings settings(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());
100 }
101
102
103 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidth)
104 {
105     gmx::AnalysisHistogramSettings settings(gmx::histogramFromRange(1.0, 4.0).binWidth(0.5));
106     EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
107     EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
108     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
109     EXPECT_EQ(6, settings.binCount());
110 }
111
112
113 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCountAndIntegerBins)
114 {
115     gmx::AnalysisHistogramSettings settings(gmx::histogramFromRange(1.0, 4.0).binCount(7).integerBins());
116     EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
117     EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
118     EXPECT_EQ(7, settings.binCount());
119     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
120 }
121
122
123 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidthAndIntegerBins)
124 {
125     gmx::AnalysisHistogramSettings settings(gmx::histogramFromRange(1.0, 4.0).binWidth(0.5).integerBins());
126     EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
127     EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
128     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
129     EXPECT_EQ(7, settings.binCount());
130 }
131
132
133 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithRoundedRange)
134 {
135     gmx::AnalysisHistogramSettings settings(gmx::histogramFromRange(1.2, 3.8).binWidth(0.5).roundRange());
136     EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
137     EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
138     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
139     EXPECT_EQ(6, settings.binCount());
140 }
141
142
143 /********************************************************************
144  * Tests for gmx::AnalysisDataSimpleHistogramModule.
145  */
146
147 //! Test fixture for gmx::AnalysisDataSimpleHistogramModule.
148 typedef gmx::test::AnalysisDataTestFixture SimpleHistogramModuleTest;
149
150 // Input data for gmx::AnalysisDataSimpleHistogramModule tests.
151 class SimpleInputData
152 {
153 public:
154     static const AnalysisDataTestInput& get()
155     {
156 #ifndef STATIC_ANON_NAMESPACE_BUG
157         static SimpleInputData singleton;
158         return singleton.data_;
159 #else
160         static SimpleInputData singleton_histogram;
161         return singleton_histogram.data_;
162 #endif
163     }
164
165     SimpleInputData() : data_(1, true)
166     {
167         using gmx::test::AnalysisDataTestInputFrame;
168         data_.setColumnCount(0, 1);
169         AnalysisDataTestInputFrame& frame1 = data_.addFrame(1.0);
170         frame1.addPointSetWithValues(0, 0, 0.7);
171         frame1.addPointSetWithValues(0, 0, 1.1);
172         frame1.addPointSetWithValues(0, 0, 2.3);
173         frame1.addPointSetWithValues(0, 0, 2.9);
174         AnalysisDataTestInputFrame& frame2 = data_.addFrame(2.0);
175         frame2.addPointSetWithValues(0, 0, 1.3);
176         frame2.addPointSetWithValues(0, 0, 2.2);
177         AnalysisDataTestInputFrame& frame3 = data_.addFrame(3.0);
178         frame3.addPointSetWithValues(0, 0, 3.3);
179         frame3.addPointSetWithValues(0, 0, 1.2);
180         frame3.addPointSetWithValues(0, 0, 1.3);
181     }
182
183 private:
184     AnalysisDataTestInput data_;
185 };
186
187 TEST_F(SimpleHistogramModuleTest, ComputesCorrectly)
188 {
189     const AnalysisDataTestInput& input = SimpleInputData::get();
190     gmx::AnalysisData            data;
191     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
192
193     gmx::AnalysisDataSimpleHistogramModulePointer module(
194             new gmx::AnalysisDataSimpleHistogramModule(gmx::histogramFromRange(1.0, 3.0).binCount(4)));
195     data.addModule(module);
196
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", &module->averager()));
201     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
202     ASSERT_NO_THROW_GMX(module->averager().done());
203 }
204
205
206 TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
207 {
208     const AnalysisDataTestInput& input = SimpleInputData::get();
209     gmx::AnalysisData            data;
210     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
211
212     gmx::AnalysisDataSimpleHistogramModulePointer module(new gmx::AnalysisDataSimpleHistogramModule(
213             gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
214     data.addModule(module);
215
216     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
217     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
218     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
219     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", &module->averager()));
220     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
221     ASSERT_NO_THROW_GMX(module->averager().done());
222 }
223
224
225 /********************************************************************
226  * Tests for gmx::AnalysisDataWeightedHistogramModule.
227  */
228
229 //! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
230 typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
231
232 // Input data for both weighted histogram and bin average module tests.
233 class WeightedSimpleInputData
234 {
235 public:
236     static const AnalysisDataTestInput& get()
237     {
238 #ifndef STATIC_ANON_NAMESPACE_BUG
239         static WeightedSimpleInputData singleton;
240         return singleton.data_;
241 #else
242         static WeightedSimpleInputData singleton_histogram;
243         return singleton_histogram.data_;
244 #endif
245     }
246
247     WeightedSimpleInputData() : data_(1, true)
248     {
249         using gmx::test::AnalysisDataTestInputFrame;
250         data_.setColumnCount(0, 2);
251         AnalysisDataTestInputFrame& frame1 = data_.addFrame(1.0);
252         frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
253         frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
254         frame1.addPointSetWithValues(0, 0, 2.3, 1.0);
255         frame1.addPointSetWithValues(0, 0, 2.9, 2.0);
256         AnalysisDataTestInputFrame& frame2 = data_.addFrame(2.0);
257         frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
258         frame2.addPointSetWithValues(0, 0, 2.2, 3.0);
259         AnalysisDataTestInputFrame& frame3 = data_.addFrame(3.0);
260         frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
261         frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
262         frame3.addPointSetWithValues(0, 0, 1.3, 1.0);
263     }
264
265 private:
266     AnalysisDataTestInput data_;
267 };
268
269 // Input data for both weighted histogram and bin average module tests.
270 class WeightedDataSetInputData
271 {
272 public:
273     static const AnalysisDataTestInput& get()
274     {
275 #ifndef STATIC_ANON_NAMESPACE_BUG
276         static WeightedDataSetInputData singleton;
277         return singleton.data_;
278 #else
279         static WeightedDataSetInputData singleton_histogram;
280         return singleton_histogram.data_;
281 #endif
282     }
283
284     WeightedDataSetInputData() : data_(2, true)
285     {
286         using gmx::test::AnalysisDataTestInputFrame;
287         data_.setColumnCount(0, 2);
288         data_.setColumnCount(1, 2);
289         AnalysisDataTestInputFrame& frame1 = data_.addFrame(1.0);
290         frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
291         frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
292         frame1.addPointSetWithValues(1, 0, 2.3, 1.0);
293         frame1.addPointSetWithValues(1, 0, 2.9, 2.0);
294         AnalysisDataTestInputFrame& frame2 = data_.addFrame(2.0);
295         frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
296         frame2.addPointSetWithValues(1, 0, 2.2, 3.0);
297         AnalysisDataTestInputFrame& frame3 = data_.addFrame(3.0);
298         frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
299         frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
300         frame3.addPointSetWithValues(1, 0, 1.3, 1.0);
301     }
302
303 private:
304     AnalysisDataTestInput data_;
305 };
306
307 TEST_F(WeightedHistogramModuleTest, ComputesCorrectly)
308 {
309     const AnalysisDataTestInput& input = WeightedSimpleInputData::get();
310     gmx::AnalysisData            data;
311     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
312
313     gmx::AnalysisDataWeightedHistogramModulePointer module(
314             new gmx::AnalysisDataWeightedHistogramModule(gmx::histogramFromRange(1.0, 3.0).binCount(4)));
315     data.addModule(module);
316
317     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
318     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
319     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
320     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", &module->averager()));
321     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
322     ASSERT_NO_THROW_GMX(module->averager().done());
323 }
324
325
326 TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
327 {
328     const AnalysisDataTestInput& input = WeightedSimpleInputData::get();
329     gmx::AnalysisData            data;
330     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
331
332     gmx::AnalysisDataWeightedHistogramModulePointer module(new gmx::AnalysisDataWeightedHistogramModule(
333             gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
334     data.addModule(module);
335
336     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
337     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
338     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
339     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", &module->averager()));
340     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
341     ASSERT_NO_THROW_GMX(module->averager().done());
342 }
343
344
345 TEST_F(WeightedHistogramModuleTest, HandlesMultipleDataSets)
346 {
347     const AnalysisDataTestInput& input = WeightedDataSetInputData::get();
348     gmx::AnalysisData            data;
349     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
350
351     gmx::AnalysisDataWeightedHistogramModulePointer module(
352             new gmx::AnalysisDataWeightedHistogramModule(gmx::histogramFromRange(1.0, 3.0).binCount(4)));
353     data.addModule(module);
354
355     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
356     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
357     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
358     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", &module->averager()));
359     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
360     ASSERT_NO_THROW_GMX(module->averager().done());
361 }
362
363
364 /********************************************************************
365  * Tests for gmx::AnalysisDataBinAverageModule.
366  */
367
368 //! Test fixture for gmx::AnalysisDataBinAverageModule.
369 typedef gmx::test::AnalysisDataTestFixture BinAverageModuleTest;
370
371 TEST_F(BinAverageModuleTest, ComputesCorrectly)
372 {
373     const AnalysisDataTestInput& input = WeightedSimpleInputData::get();
374     gmx::AnalysisData            data;
375     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
376
377     gmx::AnalysisDataBinAverageModulePointer module(
378             new gmx::AnalysisDataBinAverageModule(gmx::histogramFromRange(1.0, 3.0).binCount(4)));
379     data.addModule(module);
380
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));
385 }
386
387
388 TEST_F(BinAverageModuleTest, ComputesCorrectlyWithAll)
389 {
390     const AnalysisDataTestInput& input = WeightedSimpleInputData::get();
391     gmx::AnalysisData            data;
392     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
393
394     gmx::AnalysisDataBinAverageModulePointer module(new gmx::AnalysisDataBinAverageModule(
395             gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
396     data.addModule(module);
397
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));
402 }
403
404
405 TEST_F(BinAverageModuleTest, HandlesMultipleDataSets)
406 {
407     const AnalysisDataTestInput& input = WeightedDataSetInputData::get();
408     gmx::AnalysisData            data;
409     ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
410
411     gmx::AnalysisDataBinAverageModulePointer module(
412             new gmx::AnalysisDataBinAverageModule(gmx::histogramFromRange(1.0, 3.0).binCount(4)));
413     data.addModule(module);
414
415     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
416     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
417     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
418     ASSERT_NO_THROW_GMX(presentAllData(input, &data));
419 }
420
421
422 /********************************************************************
423  * Tests for gmx::AbstractAverageHistogram.
424  *
425  * This class derives from gmx::AbstractAnalysisArrayData, and is tested using
426  * corresponding facilities in gmx::test::AnalysisDataTestFixture.
427  */
428
429 //! Test fixture for gmx::AbstractAverageHistogram.
430 typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
431
432 // Input data for gmx::AbstractAverageHistogram tests.
433 class AverageInputData
434 {
435 public:
436     static const AnalysisDataTestInput& get()
437     {
438 #ifndef STATIC_ANON_NAMESPACE_BUG
439         static AverageInputData singleton;
440         return singleton.data_;
441 #else
442         static AverageInputData singleton_histogram;
443         return singleton_histogram.data_;
444 #endif
445     }
446
447     AverageInputData() : data_(1, false)
448     {
449         data_.setColumnCount(0, 1);
450         data_.addFrameWithValueAndError(1.0, 2.0, 1.0);
451         data_.addFrameWithValueAndError(1.5, 1.0, 1.0);
452         data_.addFrameWithValueAndError(2.0, 3.0, 2.0);
453         data_.addFrameWithValueAndError(2.5, 4.0, 2.0);
454         data_.addFrameWithValueAndError(3.0, 2.0, 1.0);
455         data_.addFrameWithValueAndError(3.5, 0.0, 3.0);
456         data_.addFrameWithValueAndError(4.0, 1.0, 3.0);
457     }
458
459 private:
460     AnalysisDataTestInput data_;
461 };
462
463 /*! \brief
464  * Mock object for testing gmx::AbstractAverageHistogram.
465  *
466  * Exposes necessary methods from gmx::AbstractAverageHistogram to use with
467  * gmx::test::AnalysisDataTestFixture::setupArrayData().
468  *
469  * \ingroup module_analysisdata
470  */
471 class MockAverageHistogram : public gmx::AbstractAverageHistogram
472 {
473 public:
474     //! Creates a histogram module with defined bin parameters.
475     explicit MockAverageHistogram(const gmx::AnalysisHistogramSettings& settings) :
476         AbstractAverageHistogram(settings)
477     {
478     }
479
480     using AbstractAverageHistogram::allocateValues;
481     using AbstractAverageHistogram::init;
482     using AbstractAverageHistogram::setColumnCount;
483     using AbstractAverageHistogram::setRowCount;
484     using AbstractAverageHistogram::value;
485 };
486
487
488 TEST_F(AbstractAverageHistogramTest, ClonesCorrectly)
489 {
490     const AnalysisDataTestInput& input = AverageInputData::get();
491     MockAverageHistogram data(gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
492     setupArrayData(input, &data);
493
494     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
495     gmx::AverageHistogramPointer copy(data.clone());
496     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy.get()));
497     ASSERT_NO_THROW_GMX(copy->done());
498     ASSERT_NO_THROW_GMX(data.done());
499     gmx::AverageHistogramPointer copy2(data.clone());
500     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy2.get()));
501     ASSERT_NO_THROW_GMX(copy2->done());
502 }
503
504
505 TEST_F(AbstractAverageHistogramTest, ComputesCumulativeHistogram)
506 {
507     const AnalysisDataTestInput& input = AverageInputData::get();
508     MockAverageHistogram data(gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
509     setupArrayData(input, &data);
510
511     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
512     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
513     ASSERT_NO_THROW_GMX(data.done());
514
515     gmx::AverageHistogramPointer cumulative(data.clone());
516     cumulative->makeCumulative();
517     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("CumulativeHistogram", cumulative.get()));
518     ASSERT_NO_THROW_GMX(cumulative->done());
519 }
520
521
522 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidth)
523 {
524     const AnalysisDataTestInput& input = AverageInputData::get();
525     MockAverageHistogram data(gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
526     setupArrayData(input, &data);
527
528     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
529     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
530     gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(false));
531     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
532     ASSERT_NO_THROW_GMX(data.done());
533     ASSERT_NO_THROW_GMX(resampled->done());
534 }
535
536
537 TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidthWithIntegerBins)
538 {
539     const AnalysisDataTestInput& input = AverageInputData::get();
540     MockAverageHistogram data(gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
541     setupArrayData(input, &data);
542
543     ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
544     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
545     gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(true));
546     ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
547     ASSERT_NO_THROW_GMX(data.done());
548     ASSERT_NO_THROW_GMX(resampled->done());
549 }
550
551 } // namespace