/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_analysisdata
*/
+#include "gmxpre.h"
+
+#include "gromacs/analysisdata/modules/histogram.h"
+
#include <gtest/gtest.h>
#include "gromacs/analysisdata/analysisdata.h"
-#include "gromacs/analysisdata/modules/histogram.h"
-#include "testutils/datatest.h"
+#include "gromacs/analysisdata/tests/datatest.h"
#include "testutils/testasserts.h"
+using gmx::test::AnalysisDataTestInput;
+
namespace
{
//! Test fixture for gmx::AnalysisDataSimpleHistogramModule.
typedef gmx::test::AnalysisDataTestFixture SimpleHistogramModuleTest;
-using gmx::test::END_OF_FRAME;
-using gmx::test::MPSTOP;
-//! Input data for gmx::AnalysisDataSimpleHistogramModule tests.
-const real simpleinputdata[] = {
- 1.0, 0.7, MPSTOP, 1.1, MPSTOP, 2.3, MPSTOP, 2.9, END_OF_FRAME,
- 2.0, 1.3, MPSTOP, 2.2, END_OF_FRAME,
- 3.0, 3.3, MPSTOP, 1.2, MPSTOP, 1.3, END_OF_FRAME
+// Input data for gmx::AnalysisDataSimpleHistogramModule tests.
+class SimpleInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static SimpleInputData singleton;
+ return singleton.data_;
+#else
+ static SimpleInputData singleton_histogram;
+ return singleton_histogram.data_;
+#endif
+ }
+
+ SimpleInputData() : data_(1, true)
+ {
+ using gmx::test::AnalysisDataTestInputFrame;
+ data_.setColumnCount(0, 1);
+ AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
+ frame1.addPointSetWithValues(0, 0, 0.7);
+ frame1.addPointSetWithValues(0, 0, 1.1);
+ frame1.addPointSetWithValues(0, 0, 2.3);
+ frame1.addPointSetWithValues(0, 0, 2.9);
+ AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
+ frame2.addPointSetWithValues(0, 0, 1.3);
+ frame2.addPointSetWithValues(0, 0, 2.2);
+ AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
+ frame3.addPointSetWithValues(0, 0, 3.3);
+ frame3.addPointSetWithValues(0, 0, 1.2);
+ frame3.addPointSetWithValues(0, 0, 1.3);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
};
TEST_F(SimpleHistogramModuleTest, ComputesCorrectly)
{
- gmx::test::AnalysisDataTestInput input(simpleinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = SimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataSimpleHistogramModulePointer module(
new gmx::AnalysisDataSimpleHistogramModule(
gmx::histogramFromRange(1.0, 3.0).binCount(4)));
TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
{
- gmx::test::AnalysisDataTestInput input(simpleinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = SimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataSimpleHistogramModulePointer module(
new gmx::AnalysisDataSimpleHistogramModule(
gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
//! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
-//! Input data for both weighted histogram and bin average module tests.
-const real weightedinputdata[] = {
- 1.0, 0.7, 0.5, MPSTOP, 1.1, 1.0, MPSTOP, 2.3, 1.0, MPSTOP, 2.9, 2.0, END_OF_FRAME,
- 2.0, 1.3, 1.0, MPSTOP, 2.2, 3.0, END_OF_FRAME,
- 3.0, 3.3, 0.5, MPSTOP, 1.2, 2.0, MPSTOP, 1.3, 1.0, END_OF_FRAME
+// Input data for both weighted histogram and bin average module tests.
+class WeightedSimpleInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static WeightedSimpleInputData singleton;
+ return singleton.data_;
+#else
+ static WeightedSimpleInputData singleton_histogram;
+ return singleton_histogram.data_;
+#endif
+ }
+
+ WeightedSimpleInputData() : data_(1, true)
+ {
+ using gmx::test::AnalysisDataTestInputFrame;
+ data_.setColumnCount(0, 2);
+ AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
+ frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
+ frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
+ frame1.addPointSetWithValues(0, 0, 2.3, 1.0);
+ frame1.addPointSetWithValues(0, 0, 2.9, 2.0);
+ AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
+ frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
+ frame2.addPointSetWithValues(0, 0, 2.2, 3.0);
+ AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
+ frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
+ frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
+ frame3.addPointSetWithValues(0, 0, 1.3, 1.0);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
+};
+
+// Input data for both weighted histogram and bin average module tests.
+class WeightedDataSetInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static WeightedDataSetInputData singleton;
+ return singleton.data_;
+#else
+ static WeightedDataSetInputData singleton_histogram;
+ return singleton_histogram.data_;
+#endif
+ }
+
+ WeightedDataSetInputData() : data_(2, true)
+ {
+ using gmx::test::AnalysisDataTestInputFrame;
+ data_.setColumnCount(0, 2);
+ data_.setColumnCount(1, 2);
+ AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
+ frame1.addPointSetWithValues(0, 0, 0.7, 0.5);
+ frame1.addPointSetWithValues(0, 0, 1.1, 1.0);
+ frame1.addPointSetWithValues(1, 0, 2.3, 1.0);
+ frame1.addPointSetWithValues(1, 0, 2.9, 2.0);
+ AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
+ frame2.addPointSetWithValues(0, 0, 1.3, 1.0);
+ frame2.addPointSetWithValues(1, 0, 2.2, 3.0);
+ AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
+ frame3.addPointSetWithValues(0, 0, 3.3, 0.5);
+ frame3.addPointSetWithValues(0, 0, 1.2, 2.0);
+ frame3.addPointSetWithValues(1, 0, 1.3, 1.0);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
};
TEST_F(WeightedHistogramModuleTest, ComputesCorrectly)
{
- gmx::test::AnalysisDataTestInput input(weightedinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataWeightedHistogramModulePointer module(
new gmx::AnalysisDataWeightedHistogramModule(
gmx::histogramFromRange(1.0, 3.0).binCount(4)));
TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
{
- gmx::test::AnalysisDataTestInput input(weightedinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataWeightedHistogramModulePointer module(
new gmx::AnalysisDataWeightedHistogramModule(
gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
}
+TEST_F(WeightedHistogramModuleTest, HandlesMultipleDataSets)
+{
+ const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
+ gmx::AnalysisDataWeightedHistogramModulePointer module(
+ new gmx::AnalysisDataWeightedHistogramModule(
+ gmx::histogramFromRange(1.0, 3.0).binCount(4)));
+ data.addModule(module);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Histogram", module.get()));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage",
+ &module->averager()));
+ ASSERT_NO_THROW_GMX(presentAllData(input, &data));
+ ASSERT_NO_THROW_GMX(module->averager().done());
+}
+
+
/********************************************************************
* Tests for gmx::AnalysisDataBinAverageModule.
*/
TEST_F(BinAverageModuleTest, ComputesCorrectly)
{
- gmx::test::AnalysisDataTestInput input(weightedinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataBinAverageModulePointer module(
new gmx::AnalysisDataBinAverageModule(
gmx::histogramFromRange(1.0, 3.0).binCount(4)));
TEST_F(BinAverageModuleTest, ComputesCorrectlyWithAll)
{
- gmx::test::AnalysisDataTestInput input(weightedinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = WeightedSimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataBinAverageModulePointer module(
new gmx::AnalysisDataBinAverageModule(
gmx::histogramFromRange(1.0, 3.0).binCount(4).includeAll()));
}
+TEST_F(BinAverageModuleTest, HandlesMultipleDataSets)
+{
+ const AnalysisDataTestInput &input = WeightedDataSetInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
+ gmx::AnalysisDataBinAverageModulePointer module(
+ new gmx::AnalysisDataBinAverageModule(
+ gmx::histogramFromRange(1.0, 3.0).binCount(4)));
+ data.addModule(module);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("HistogramAverage", module.get()));
+ ASSERT_NO_THROW_GMX(presentAllData(input, &data));
+}
+
+
/********************************************************************
* Tests for gmx::AbstractAverageHistogram.
*
//! Test fixture for gmx::AbstractAverageHistogram.
typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
-//! Input data for gmx::AbstractAverageHistogram tests.
-const real averageinputdata[] = {
- 1.0, 2.0, 1.0, END_OF_FRAME,
- 1.5, 1.0, 1.0, END_OF_FRAME,
- 2.0, 3.0, 2.0, END_OF_FRAME,
- 2.5, 4.0, 2.0, END_OF_FRAME,
- 3.0, 2.0, 1.0, END_OF_FRAME,
- 3.5, 0.0, 3.0, END_OF_FRAME,
- 4.0, 1.0, 3.0, END_OF_FRAME
+// Input data for gmx::AbstractAverageHistogram tests.
+class AverageInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static AverageInputData singleton;
+ return singleton.data_;
+#else
+ static AverageInputData singleton_histogram;
+ return singleton_histogram.data_;
+#endif
+ }
+
+ AverageInputData() : data_(1, false)
+ {
+ data_.setColumnCount(0, 1);
+ data_.addFrameWithValueAndError(1.0, 2.0, 1.0);
+ data_.addFrameWithValueAndError(1.5, 1.0, 1.0);
+ data_.addFrameWithValueAndError(2.0, 3.0, 2.0);
+ data_.addFrameWithValueAndError(2.5, 4.0, 2.0);
+ data_.addFrameWithValueAndError(3.0, 2.0, 1.0);
+ data_.addFrameWithValueAndError(3.5, 0.0, 3.0);
+ data_.addFrameWithValueAndError(4.0, 1.0, 3.0);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
};
-/*! \internal \brief
+/*! \brief
* Mock object for testing gmx::AbstractAverageHistogram.
*
* Exposes necessary methods from gmx::AbstractAverageHistogram to use with
* gmx::test::AnalysisDataTestFixture::setupArrayData().
+ *
+ * \ingroup module_analysisdata
*/
class MockAverageHistogram : public gmx::AbstractAverageHistogram
{
public:
- MockAverageHistogram() {}
//! Creates a histogram module with defined bin parameters.
explicit MockAverageHistogram(const gmx::AnalysisHistogramSettings &settings)
: AbstractAverageHistogram(settings)
using AbstractAverageHistogram::setColumnCount;
using AbstractAverageHistogram::setRowCount;
using AbstractAverageHistogram::allocateValues;
- using AbstractAverageHistogram::setValue;
+ using AbstractAverageHistogram::value;
};
TEST_F(AbstractAverageHistogramTest, ClonesCorrectly)
{
- gmx::test::AnalysisDataTestInput input(averageinputdata);
- MockAverageHistogram data(
+ const AnalysisDataTestInput &input = AverageInputData::get();
+ MockAverageHistogram data(
gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
setupArrayData(input, &data);
}
+TEST_F(AbstractAverageHistogramTest, ComputesCumulativeHistogram)
+{
+ const AnalysisDataTestInput &input = AverageInputData::get();
+ MockAverageHistogram data(
+ gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
+ setupArrayData(input, &data);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(data.done());
+
+ gmx::AverageHistogramPointer cumulative(data.clone());
+ cumulative->makeCumulative();
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("CumulativeHistogram", cumulative.get()));
+ ASSERT_NO_THROW_GMX(cumulative->done());
+}
+
+
TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidth)
{
- gmx::test::AnalysisDataTestInput input(averageinputdata);
- MockAverageHistogram data(
+ const AnalysisDataTestInput &input = AverageInputData::get();
+ MockAverageHistogram data(
gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
setupArrayData(input, &data);
TEST_F(AbstractAverageHistogramTest, ResamplesAtDoubleBinWidthWithIntegerBins)
{
- gmx::test::AnalysisDataTestInput input(averageinputdata);
- MockAverageHistogram data(
+ const AnalysisDataTestInput &input = AverageInputData::get();
+ MockAverageHistogram data(
gmx::histogramFromBins(1.0, input.frameCount(), 0.5).integerBins());
setupArrayData(input, &data);
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