/*
* 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
#include "gromacs/analysisdata/analysisdata.h"
#include "gromacs/analysisdata/modules/average.h"
-#include "testutils/datatest.h"
+#include "gromacs/analysisdata/tests/datatest.h"
#include "testutils/testasserts.h"
+using gmx::test::AnalysisDataTestInput;
+
namespace
{
-using gmx::test::END_OF_FRAME;
-using gmx::test::MPSTOP;
-//! Input data for gmx::AnalysisDataAverageModule tests.
-const real inputdata[] = {
- 1.0, 0.0, 1.0, 2.0, END_OF_FRAME,
- 2.0, 1.0, 1.0, 1.0, END_OF_FRAME,
- 3.0, 2.0, 0.0, 0.0, END_OF_FRAME
+// Simple input data for gmx::AnalysisDataAverageModule tests.
+class SimpleInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static SimpleInputData singleton;
+ return singleton.data_;
+#else
+ static SimpleInputData singleton_average;
+ return singleton_average.data_;
+#endif
+ }
+
+ SimpleInputData() : data_(1, false)
+ {
+ data_.setColumnCount(0, 3);
+ data_.addFrameWithValues(1.0, 0.0, 1.0, 2.0);
+ data_.addFrameWithValues(2.0, 1.0, 1.0, 1.0);
+ data_.addFrameWithValues(3.0, 2.0, 0.0, 0.0);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
+};
+
+// Multipoint input data for gmx::AnalysisDataAverageModule tests.
+class MultipointInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static MultipointInputData singleton;
+ return singleton.data_;
+#else
+ static MultipointInputData singleton_average;
+ return singleton_average.data_;
+#endif
+ }
+
+ MultipointInputData() : data_(1, true)
+ {
+ using gmx::test::AnalysisDataTestInputFrame;
+ data_.setColumnCount(0, 3);
+ AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
+ frame1.addPointSetWithValues(0, 0, 0.0, 1.0, 2.0);
+ frame1.addPointSetWithValues(0, 0, 1.0, 0.0);
+ frame1.addPointSetWithValues(0, 0, 2.0);
+ AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
+ frame2.addPointSetWithValues(0, 0, 1.0, 1.0);
+ frame2.addPointSetWithValues(0, 0, 2.0);
+ AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
+ frame3.addPointSetWithValues(0, 0, 2.0, 0.0, 0.0);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
};
-//! Multipoint input data for gmx::AnalysisDataAverageModule tests.
-const real mpinputdata[] = {
- // *INDENT-OFF*
- 1.0, 0.0, 1.0, 2.0, MPSTOP,
- 1.0, 0.0, MPSTOP,
- 2.0, END_OF_FRAME,
- 2.0, 1.0, 1.0, MPSTOP,
- 2.0, END_OF_FRAME,
- 3.0, 2.0, 0.0, 0.0, END_OF_FRAME
- // *INDENT-ON*
+
+// Input data with multiple data sets for gmx::AnalysisDataAverageModule tests.
+class MultiDataSetInputData
+{
+ public:
+ static const AnalysisDataTestInput &get()
+ {
+#ifndef STATIC_ANON_NAMESPACE_BUG
+ static MultiDataSetInputData singleton;
+ return singleton.data_;
+#else
+ static MultiDataSetInputData singleton_average;
+ return singleton_average.data_;
+#endif
+ }
+
+ MultiDataSetInputData() : data_(2, true)
+ {
+ using gmx::test::AnalysisDataTestInputFrame;
+ data_.setColumnCount(0, 3);
+ data_.setColumnCount(1, 2);
+ AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
+ frame1.addPointSetWithValues(0, 0, 0.0, 1.0, 2.0);
+ frame1.addPointSetWithValues(0, 0, 1.0, 0.0);
+ frame1.addPointSetWithValues(1, 0, 2.0, 1.0);
+ frame1.addPointSetWithValues(1, 1, 2.0);
+ AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
+ frame2.addPointSetWithValues(0, 0, 1.0, 1.0);
+ frame2.addPointSetWithValues(0, 2, 2.0);
+ frame2.addPointSetWithValues(1, 0, 1.0, 0.0);
+ AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
+ frame3.addPointSetWithValues(0, 0, 2.0, 0.0, 0.0);
+ frame3.addPointSetWithValues(1, 0, 0.0, 2.0);
+ }
+
+ private:
+ AnalysisDataTestInput data_;
};
TEST_F(AverageModuleTest, BasicTest)
{
- gmx::test::AnalysisDataTestInput input(inputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
+ const AnalysisDataTestInput &input = SimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataAverageModulePointer module(
new gmx::AnalysisDataAverageModule);
data.addModule(module);
TEST_F(AverageModuleTest, HandlesMultipointData)
{
- gmx::test::AnalysisDataTestInput input(mpinputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
- data.setMultipoint(true);
+ const AnalysisDataTestInput &input = MultipointInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
+ gmx::AnalysisDataAverageModulePointer module(
+ new gmx::AnalysisDataAverageModule);
+ data.addModule(module);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
+ ASSERT_NO_THROW_GMX(presentAllData(input, &data));
+}
+
+TEST_F(AverageModuleTest, HandlesMultipleDataSets)
+{
+ const AnalysisDataTestInput &input = MultiDataSetInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
+ gmx::AnalysisDataAverageModulePointer module(
+ new gmx::AnalysisDataAverageModule);
+ data.addModule(module);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
+ ASSERT_NO_THROW_GMX(presentAllData(input, &data));
+}
+
+TEST_F(AverageModuleTest, HandlesDataSetAveraging)
+{
+ const AnalysisDataTestInput &input = MultiDataSetInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataAverageModulePointer module(
new gmx::AnalysisDataAverageModule);
+ module->setAverageDataSets(true);
data.addModule(module);
ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
TEST_F(AverageModuleTest, CanCustomizeXAxis)
{
- gmx::test::AnalysisDataTestInput input(inputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
+ const AnalysisDataTestInput &input = SimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataAverageModulePointer module(new gmx::AnalysisDataAverageModule());
data.addModule(module);
module->setXAxis(0.5, 0.5);
ASSERT_NO_THROW_GMX(presentAllData(input, &data));
}
+TEST_F(AverageModuleTest, CanCustomizeNonUniformXAxis)
+{
+ const AnalysisDataTestInput &input = SimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
+ gmx::AnalysisDataAverageModulePointer module(new gmx::AnalysisDataAverageModule());
+ data.addModule(module);
+ module->setXAxisValue(0, 2.0);
+ module->setXAxisValue(1, 3.0);
+ module->setXAxisValue(2, 5.0);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
+ ASSERT_NO_THROW_GMX(presentAllData(input, &data));
+}
+
/********************************************************************
* Tests for gmx::AnalysisDataFrameAverageModule.
*/
TEST_F(FrameAverageModuleTest, BasicTest)
{
- gmx::test::AnalysisDataTestInput input(inputdata);
- gmx::AnalysisData data;
- data.setColumnCount(input.columnCount());
+ const AnalysisDataTestInput &input = SimpleInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
+ gmx::AnalysisDataFrameAverageModulePointer module(
+ new gmx::AnalysisDataFrameAverageModule);
+ data.addModule(module);
+
+ ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
+ ASSERT_NO_THROW_GMX(addReferenceCheckerModule("FrameAverage", module.get()));
+ ASSERT_NO_THROW_GMX(presentAllData(input, &data));
+}
+
+TEST_F(FrameAverageModuleTest, HandlesMultipleDataSets)
+{
+ const AnalysisDataTestInput &input = MultiDataSetInputData::get();
+ gmx::AnalysisData data;
+ ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
+
gmx::AnalysisDataFrameAverageModulePointer module(
new gmx::AnalysisDataFrameAverageModule);
data.addModule(module);
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff