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37 * Tests for functionality of analysis data averaging modules.
39 * These tests check that gmx::AnalysisDataAverageModule and
40 * gmx::AnalysisDataFrameAverageModule compute averages correctly with simple
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44 * out-of-date reference.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
49 #include <gtest/gtest.h>
51 #include "gromacs/analysisdata/analysisdata.h"
52 #include "gromacs/analysisdata/modules/average.h"
54 #include "testutils/datatest.h"
55 #include "testutils/testasserts.h"
57 using gmx::test::AnalysisDataTestInput;
62 // Simple input data for gmx::AnalysisDataAverageModule tests.
66 static const AnalysisDataTestInput &get()
68 static SimpleInputData singleton;
69 return singleton.data_;
72 SimpleInputData() : data_(1, false)
74 data_.setColumnCount(0, 3);
75 data_.addFrameWithValues(1.0, 0.0, 1.0, 2.0);
76 data_.addFrameWithValues(2.0, 1.0, 1.0, 1.0);
77 data_.addFrameWithValues(3.0, 2.0, 0.0, 0.0);
81 AnalysisDataTestInput data_;
84 // Multipoint input data for gmx::AnalysisDataAverageModule tests.
85 class MultipointInputData
88 static const AnalysisDataTestInput &get()
90 static MultipointInputData singleton;
91 return singleton.data_;
94 MultipointInputData() : data_(1, true)
96 using gmx::test::AnalysisDataTestInputFrame;
97 data_.setColumnCount(0, 3);
98 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
99 frame1.addPointSetWithValues(0, 0, 0.0, 1.0, 2.0);
100 frame1.addPointSetWithValues(0, 0, 1.0, 0.0);
101 frame1.addPointSetWithValues(0, 0, 2.0);
102 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
103 frame2.addPointSetWithValues(0, 0, 1.0, 1.0);
104 frame2.addPointSetWithValues(0, 0, 2.0);
105 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
106 frame3.addPointSetWithValues(0, 0, 2.0, 0.0, 0.0);
110 AnalysisDataTestInput data_;
113 // Input data with multiple data sets for gmx::AnalysisDataAverageModule tests.
114 class MultiDataSetInputData
117 static const AnalysisDataTestInput &get()
119 static MultiDataSetInputData singleton;
120 return singleton.data_;
123 MultiDataSetInputData() : data_(2, true)
125 using gmx::test::AnalysisDataTestInputFrame;
126 data_.setColumnCount(0, 3);
127 data_.setColumnCount(1, 2);
128 AnalysisDataTestInputFrame &frame1 = data_.addFrame(1.0);
129 frame1.addPointSetWithValues(0, 0, 0.0, 1.0, 2.0);
130 frame1.addPointSetWithValues(0, 0, 1.0, 0.0);
131 frame1.addPointSetWithValues(1, 0, 2.0, 1.0);
132 frame1.addPointSetWithValues(1, 1, 2.0);
133 AnalysisDataTestInputFrame &frame2 = data_.addFrame(2.0);
134 frame2.addPointSetWithValues(0, 0, 1.0, 1.0);
135 frame2.addPointSetWithValues(0, 2, 2.0);
136 frame2.addPointSetWithValues(1, 0, 1.0, 0.0);
137 AnalysisDataTestInputFrame &frame3 = data_.addFrame(3.0);
138 frame3.addPointSetWithValues(0, 0, 2.0, 0.0, 0.0);
139 frame3.addPointSetWithValues(1, 0, 0.0, 2.0);
143 AnalysisDataTestInput data_;
147 /********************************************************************
148 * Tests for gmx::AnalysisDataAverageModule.
151 //! Test fixture for gmx::AnalysisDataAverageModule.
152 typedef gmx::test::AnalysisDataTestFixture AverageModuleTest;
154 TEST_F(AverageModuleTest, BasicTest)
156 const AnalysisDataTestInput &input = SimpleInputData::get();
157 gmx::AnalysisData data;
158 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
160 gmx::AnalysisDataAverageModulePointer module(
161 new gmx::AnalysisDataAverageModule);
162 data.addModule(module);
164 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
165 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
166 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
167 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
170 TEST_F(AverageModuleTest, HandlesMultipointData)
172 const AnalysisDataTestInput &input = MultipointInputData::get();
173 gmx::AnalysisData data;
174 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
176 gmx::AnalysisDataAverageModulePointer module(
177 new gmx::AnalysisDataAverageModule);
178 data.addModule(module);
180 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
181 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
182 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
183 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
186 TEST_F(AverageModuleTest, HandlesMultipleDataSets)
188 const AnalysisDataTestInput &input = MultiDataSetInputData::get();
189 gmx::AnalysisData data;
190 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
192 gmx::AnalysisDataAverageModulePointer module(
193 new gmx::AnalysisDataAverageModule);
194 data.addModule(module);
196 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
197 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
198 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
199 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
202 TEST_F(AverageModuleTest, HandlesDataSetAveraging)
204 const AnalysisDataTestInput &input = MultiDataSetInputData::get();
205 gmx::AnalysisData data;
206 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
208 gmx::AnalysisDataAverageModulePointer module(
209 new gmx::AnalysisDataAverageModule);
210 module->setAverageDataSets(true);
211 data.addModule(module);
213 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
214 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
215 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
216 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
219 TEST_F(AverageModuleTest, CanCustomizeXAxis)
221 const AnalysisDataTestInput &input = SimpleInputData::get();
222 gmx::AnalysisData data;
223 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
225 gmx::AnalysisDataAverageModulePointer module(new gmx::AnalysisDataAverageModule());
226 data.addModule(module);
227 module->setXAxis(0.5, 0.5);
229 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
230 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
231 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("Average", module.get()));
232 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
235 /********************************************************************
236 * Tests for gmx::AnalysisDataFrameAverageModule.
239 //! Test fixture for gmx::AnalysisDataFrameAverageModule.
240 typedef gmx::test::AnalysisDataTestFixture FrameAverageModuleTest;
242 TEST_F(FrameAverageModuleTest, BasicTest)
244 const AnalysisDataTestInput &input = SimpleInputData::get();
245 gmx::AnalysisData data;
246 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
248 gmx::AnalysisDataFrameAverageModulePointer module(
249 new gmx::AnalysisDataFrameAverageModule);
250 data.addModule(module);
252 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
253 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
254 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("FrameAverage", module.get()));
255 ASSERT_NO_THROW_GMX(presentAllData(input, &data));
258 TEST_F(FrameAverageModuleTest, HandlesMultipleDataSets)
260 const AnalysisDataTestInput &input = MultiDataSetInputData::get();
261 gmx::AnalysisData data;
262 ASSERT_NO_THROW_GMX(setupDataObject(input, &data));
264 gmx::AnalysisDataFrameAverageModulePointer module(
265 new gmx::AnalysisDataFrameAverageModule);
266 data.addModule(module);
268 ASSERT_NO_THROW_GMX(addStaticCheckerModule(input, &data));
269 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("InputData", &data));
270 ASSERT_NO_THROW_GMX(addReferenceCheckerModule("FrameAverage", module.get()));
271 ASSERT_NO_THROW_GMX(presentAllData(input, &data));