2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2011,2012,2013,2014, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
37 * Implements classes in datatest.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_analysisdata
44 #include <gmock/gmock.h>
45 #include <gtest/gtest.h>
47 #include "gromacs/analysisdata/analysisdata.h"
48 #include "gromacs/analysisdata/paralleloptions.h"
49 #include "gromacs/utility/gmxassert.h"
50 #include "gromacs/utility/stringutil.h"
52 #include "gromacs/analysisdata/tests/mock_datamodule.h"
53 #include "testutils/refdata.h"
54 #include "testutils/testasserts.h"
62 /********************************************************************
63 * AnalysisDataTestInputPointSet
66 AnalysisDataTestInputPointSet::AnalysisDataTestInputPointSet(
67 int index, int dataSetIndex, int firstColumn)
68 : index_(index), dataSetIndex_(dataSetIndex), firstColumn_(firstColumn)
73 /********************************************************************
74 * AnalysisDataTestInputFrame
77 AnalysisDataTestInputFrame::AnalysisDataTestInputFrame(int index, real x)
78 : index_(index), x_(x)
82 AnalysisDataTestInputPointSet &
83 AnalysisDataTestInputFrame::addPointSet(int dataSet, int firstColumn)
86 AnalysisDataTestInputPointSet(pointSets_.size(),
87 dataSet, firstColumn));
88 return pointSets_.back();
91 void AnalysisDataTestInputFrame::addPointSetWithValues(
92 int dataSet, int firstColumn, real y1)
94 AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
95 pointSet.addValue(y1);
98 void AnalysisDataTestInputFrame::addPointSetWithValues(
99 int dataSet, int firstColumn, real y1, real y2)
101 AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
102 pointSet.addValue(y1);
103 pointSet.addValue(y2);
106 void AnalysisDataTestInputFrame::addPointSetWithValues(
107 int dataSet, int firstColumn, real y1, real y2, real y3)
109 AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
110 pointSet.addValue(y1);
111 pointSet.addValue(y2);
112 pointSet.addValue(y3);
115 void AnalysisDataTestInputFrame::addPointSetWithValueAndError(
116 int dataSet, int firstColumn, real y1, real e1)
118 AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
119 pointSet.addValueWithError(y1, e1);
123 /********************************************************************
124 * AnalysisDataTestInput
127 AnalysisDataTestInput::AnalysisDataTestInput(int dataSetCount, bool bMultipoint)
128 : columnCounts_(dataSetCount), bMultipoint_(bMultipoint)
133 AnalysisDataTestInput::~AnalysisDataTestInput()
138 const AnalysisDataTestInputFrame &AnalysisDataTestInput::frame(int index) const
140 GMX_RELEASE_ASSERT(index >= 0 && index < frameCount(),
141 "Out-of-range frame index");
142 return frames_[index];
146 void AnalysisDataTestInput::setColumnCount(int dataSet, int columnCount)
148 GMX_RELEASE_ASSERT(dataSet >= 0 && dataSet < dataSetCount(),
149 "Out-of-range data set index");
150 columnCounts_[dataSet] = columnCount;
154 AnalysisDataTestInputFrame &AnalysisDataTestInput::addFrame(real x)
156 frames_.push_back(AnalysisDataTestInputFrame(frames_.size(), x));
157 return frames_.back();
160 void AnalysisDataTestInput::addFrameWithValues(real x, real y1)
162 AnalysisDataTestInputFrame &frame = addFrame(x);
163 frame.addPointSetWithValues(0, 0, y1);
166 void AnalysisDataTestInput::addFrameWithValues(real x, real y1, real y2)
168 AnalysisDataTestInputFrame &frame = addFrame(x);
169 frame.addPointSetWithValues(0, 0, y1, y2);
172 void AnalysisDataTestInput::addFrameWithValues(real x, real y1, real y2, real y3)
174 AnalysisDataTestInputFrame &frame = addFrame(x);
175 frame.addPointSetWithValues(0, 0, y1, y2, y3);
178 void AnalysisDataTestInput::addFrameWithValueAndError(real x, real y1, real e1)
180 AnalysisDataTestInputFrame &frame = addFrame(x);
181 frame.addPointSetWithValueAndError(0, 0, y1, e1);
185 /********************************************************************
189 AnalysisDataTestFixture::AnalysisDataTestFixture()
194 void AnalysisDataTestFixture::setupDataObject(const AnalysisDataTestInput &input,
197 data->setDataSetCount(input.dataSetCount());
198 for (int i = 0; i < input.dataSetCount(); ++i)
200 data->setColumnCount(i, input.columnCount(i));
202 data->setMultipoint(input.isMultipoint());
206 void AnalysisDataTestFixture::presentAllData(const AnalysisDataTestInput &input,
209 gmx::AnalysisDataParallelOptions options;
210 gmx::AnalysisDataHandle handle = data->startData(options);
211 for (int row = 0; row < input.frameCount(); ++row)
213 presentDataFrame(input, row, handle);
214 EXPECT_EQ(row + 1, data->frameCount());
220 void AnalysisDataTestFixture::presentDataFrame(const AnalysisDataTestInput &input,
221 int row, AnalysisDataHandle handle)
223 const AnalysisDataTestInputFrame &frame = input.frame(row);
224 handle.startFrame(row, frame.x(), frame.dx());
225 for (int i = 0; i < frame.pointSetCount(); ++i)
227 const AnalysisDataTestInputPointSet &points = frame.pointSet(i);
228 handle.selectDataSet(points.dataSetIndex());
229 for (int j = 0; j < points.size(); ++j)
231 if (points.hasError(j))
233 handle.setPoint(j + points.firstColumn(),
234 points.y(j), points.error(j), points.present(j));
238 handle.setPoint(j + points.firstColumn(),
239 points.y(j), points.present(j));
242 if (input.isMultipoint())
244 handle.finishPointSet();
247 handle.finishFrame();
252 AnalysisDataTestFixture::addStaticCheckerModule(const AnalysisDataTestInput &data,
253 AbstractAnalysisData *source)
255 MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
256 module->setupStaticCheck(data, source, false);
257 source->addModule(module);
262 AnalysisDataTestFixture::addStaticParallelCheckerModule(
263 const AnalysisDataTestInput &data,
264 AbstractAnalysisData *source)
266 MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
267 module->setupStaticCheck(data, source, true);
268 source->addModule(module);
273 AnalysisDataTestFixture::addStaticColumnCheckerModule(const AnalysisDataTestInput &data,
275 AbstractAnalysisData *source)
277 MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
278 module->setupStaticColumnCheck(data, firstcol, n, source);
279 source->addColumnModule(firstcol, n, module);
284 AnalysisDataTestFixture::addStaticStorageCheckerModule(const AnalysisDataTestInput &data,
286 AbstractAnalysisData *source)
288 MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
289 module->setupStaticStorageCheck(data, storageCount, source);
290 source->addModule(module);
295 AnalysisDataTestFixture::addReferenceCheckerModule(TestReferenceChecker checker,
297 AbstractAnalysisData *source,
298 const FloatingPointTolerance &tolerance)
300 MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
301 TestReferenceChecker compoundChecker(checker.checkCompound("AnalysisData", id));
302 compoundChecker.setDefaultTolerance(tolerance);
303 module->setupReferenceCheck(compoundChecker, source);
304 source->addModule(module);
309 AnalysisDataTestFixture::addReferenceCheckerModule(const char *id,
310 AbstractAnalysisData *source)
312 addReferenceCheckerModule(data_.rootChecker(), id, source,
313 defaultRealTolerance());