Add support for cumulative histograms
[alexxy/gromacs.git] / src / gromacs / analysisdata / tests / histogram.cpp
index 1b1b604a0922507498371e59e7e522f8f9137d42..3fef0ef42ceab21d90eb0770ea561cefdc9660f5 100644 (file)
@@ -1,32 +1,36 @@
 /*
+ * This file is part of the GROMACS molecular simulation package.
  *
- *                This source code is part of
+ * 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.
  *
- *                 G   R   O   M   A   C   S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
  *
- *          GROningen MAchine for Chemical Simulations
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
+ * Lesser General Public License for more details.
  *
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
- * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2009, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
- * of the License, or (at your option) any later version.
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  *
- * If you want to redistribute modifications, please consider that
- * scientific software is very special. Version control is crucial -
- * bugs must be traceable. We will be happy to consider code for
- * inclusion in the official distribution, but derived work must not
- * be called official GROMACS. Details are found in the README & COPYING
- * files - if they are missing, get the official version at www.gromacs.org.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
  *
  * To help us fund GROMACS development, we humbly ask that you cite
- * the papers on the package - you can find them in the top README file.
- *
- * For more info, check our website at http://www.gromacs.org
+ * the research papers on the package. Check out http://www.gromacs.org.
  */
 /*! \internal \file
  * \brief
  * data.  Also the input data is written to the reference data to catch
  * out-of-date reference.
  *
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \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
 {
@@ -63,7 +73,7 @@ namespace
 TEST(AnalysisHistogramSettingsTest, InitializesFromBins)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromBins(1.0, 5, 0.5));
+            gmx::histogramFromBins(1.0, 5, 0.5));
     EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
     EXPECT_EQ(5, settings.binCount());
     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
@@ -74,7 +84,7 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromBins)
 TEST(AnalysisHistogramSettingsTest, InitializesFromBinsWithIntegerBins)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromBins(1.0, 5, 0.5).integerBins());
+            gmx::histogramFromBins(1.0, 5, 0.5).integerBins());
     EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
     EXPECT_EQ(5, settings.binCount());
     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
@@ -85,7 +95,7 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromBinsWithIntegerBins)
 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCount)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromRange(1.0, 4.0).binCount(6));
+            gmx::histogramFromRange(1.0, 4.0).binCount(6));
     EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
     EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
     EXPECT_EQ(6, settings.binCount());
@@ -96,7 +106,7 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCount)
 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidth)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromRange(1.0, 4.0).binWidth(0.5));
+            gmx::histogramFromRange(1.0, 4.0).binWidth(0.5));
     EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
     EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
@@ -107,7 +117,7 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidth)
 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCountAndIntegerBins)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromRange(1.0, 4.0).binCount(7).integerBins());
+            gmx::histogramFromRange(1.0, 4.0).binCount(7).integerBins());
     EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
     EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
     EXPECT_EQ(7, settings.binCount());
@@ -118,7 +128,7 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinCountAndIntegerBi
 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidthAndIntegerBins)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromRange(1.0, 4.0).binWidth(0.5).integerBins());
+            gmx::histogramFromRange(1.0, 4.0).binWidth(0.5).integerBins());
     EXPECT_FLOAT_EQ(0.75, settings.firstEdge());
     EXPECT_FLOAT_EQ(4.25, settings.lastEdge());
     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
@@ -129,7 +139,7 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithBinWidthAndIntegerBi
 TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithRoundedRange)
 {
     gmx::AnalysisHistogramSettings settings(
-        gmx::histogramFromRange(1.2, 3.8).binWidth(0.5).roundRange());
+            gmx::histogramFromRange(1.2, 3.8).binWidth(0.5).roundRange());
     EXPECT_FLOAT_EQ(1.0, settings.firstEdge());
     EXPECT_FLOAT_EQ(4.0, settings.lastEdge());
     EXPECT_FLOAT_EQ(0.5, settings.binWidth());
@@ -141,58 +151,85 @@ TEST(AnalysisHistogramSettingsTest, InitializesFromRangeWithRoundedRange)
  * Tests for gmx::AnalysisDataSimpleHistogramModule.
  */
 
+//! Test fixture for gmx::AnalysisDataSimpleHistogramModule.
 typedef gmx::test::AnalysisDataTestFixture SimpleHistogramModuleTest;
 
-// Input data for the tests below.
-using gmx::test::END_OF_DATA;
-using gmx::test::END_OF_FRAME;
-using gmx::test::MPSTOP;
-static 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,
-    END_OF_DATA
+// 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)));
+            new gmx::AnalysisDataSimpleHistogramModule(
+                    gmx::histogramFromRange(1.0, 3.0).binCount(4)));
     data.addModule(module);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("Histogram", module.get()));
-    ASSERT_NO_THROW(addReferenceCheckerModule("HistogramAverage",
-                                              &module->averager()));
-    ASSERT_NO_THROW(presentAllData(input, &data));
-    ASSERT_NO_THROW(module->averager().done());
+    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());
 }
 
 
 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()));
     data.addModule(module);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("Histogram", module.get()));
-    ASSERT_NO_THROW(addReferenceCheckerModule("HistogramAverage",
-                                              &module->averager()));
-    ASSERT_NO_THROW(presentAllData(input, &data));
-    ASSERT_NO_THROW(module->averager().done());
+    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());
 }
 
 
@@ -200,55 +237,144 @@ TEST_F(SimpleHistogramModuleTest, ComputesCorrectlyWithAll)
  * Tests for gmx::AnalysisDataWeightedHistogramModule.
  */
 
+//! Test fixture for gmx::AnalysisDataWeightedHistogramModule.
 typedef gmx::test::AnalysisDataTestFixture WeightedHistogramModuleTest;
 
-// Input data for the tests below (both weighted and bin average modules).
-static 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,
-    END_OF_DATA
+// 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)));
+            new gmx::AnalysisDataWeightedHistogramModule(
+                    gmx::histogramFromRange(1.0, 3.0).binCount(4)));
     data.addModule(module);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("Histogram", module.get()));
-    ASSERT_NO_THROW(addReferenceCheckerModule("HistogramAverage",
-                                              &module->averager()));
-    ASSERT_NO_THROW(presentAllData(input, &data));
-    ASSERT_NO_THROW(module->averager().done());
+    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());
 }
 
 
 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()));
     data.addModule(module);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("Histogram", module.get()));
-    ASSERT_NO_THROW(addReferenceCheckerModule("HistogramAverage",
-                                              &module->averager()));
-    ASSERT_NO_THROW(presentAllData(input, &data));
-    ASSERT_NO_THROW(module->averager().done());
+    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());
+}
+
+
+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());
 }
 
 
@@ -256,41 +382,60 @@ TEST_F(WeightedHistogramModuleTest, ComputesCorrectlyWithAll)
  * Tests for gmx::AnalysisDataBinAverageModule.
  */
 
+//! Test fixture for gmx::AnalysisDataBinAverageModule.
 typedef gmx::test::AnalysisDataTestFixture BinAverageModuleTest;
 
 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)));
+            new gmx::AnalysisDataBinAverageModule(
+                    gmx::histogramFromRange(1.0, 3.0).binCount(4)));
     data.addModule(module);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("HistogramAverage", module.get()));
-    ASSERT_NO_THROW(presentAllData(input, &data));
+    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));
 }
 
 
 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()));
     data.addModule(module);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("HistogramAverage", module.get()));
-    ASSERT_NO_THROW(presentAllData(input, &data));
+    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));
+}
+
+
+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));
 }
 
 
@@ -301,30 +446,52 @@ TEST_F(BinAverageModuleTest, ComputesCorrectlyWithAll)
  * corresponding facilities in gmx::test::AnalysisDataTestFixture.
  */
 
+//! Test fixture for gmx::AbstractAverageHistogram.
 typedef gmx::test::AnalysisDataTestFixture AbstractAverageHistogramTest;
 
-// Input data for average histogram tests.
-static 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,
-    END_OF_DATA
+// 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)
         {
@@ -334,57 +501,75 @@ class MockAverageHistogram : public gmx::AbstractAverageHistogram
         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);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
+    ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
     gmx::AverageHistogramPointer copy(data.clone());
-    ASSERT_NO_THROW(addStaticCheckerModule(input, copy.get()));
-    ASSERT_NO_THROW(copy->done());
-    ASSERT_NO_THROW(data.done());
+    ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy.get()));
+    ASSERT_NO_THROW_GMX(copy->done());
+    ASSERT_NO_THROW_GMX(data.done());
     gmx::AverageHistogramPointer copy2(data.clone());
-    ASSERT_NO_THROW(addStaticCheckerModule(input, copy2.get()));
-    ASSERT_NO_THROW(copy2->done());
+    ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, copy2.get()));
+    ASSERT_NO_THROW_GMX(copy2->done());
+}
+
+
+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);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
+    ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+    ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
     gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(false));
-    ASSERT_NO_THROW(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
-    ASSERT_NO_THROW(data.done());
-    ASSERT_NO_THROW(resampled->done());
+    ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
+    ASSERT_NO_THROW_GMX(data.done());
+    ASSERT_NO_THROW_GMX(resampled->done());
 }
 
 
 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);
 
-    ASSERT_NO_THROW(addStaticCheckerModule(input, &data));
-    ASSERT_NO_THROW(addReferenceCheckerModule("InputData", &data));
+    ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+    ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
     gmx::AverageHistogramPointer resampled(data.resampleDoubleBinWidth(true));
-    ASSERT_NO_THROW(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
-    ASSERT_NO_THROW(data.done());
-    ASSERT_NO_THROW(resampled->done());
+    ASSERT_NO_THROW_GMX(addReferenceCheckerModule("ResampledHistogram", resampled.get()));
+    ASSERT_NO_THROW_GMX(data.done());
+    ASSERT_NO_THROW_GMX(resampled->done());
 }
 
 } // namespace