src/gromacs/analysisdata/tests/datatest.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   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.
   8  *
   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.
  13  *
  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.
  18  *
  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.
  23  *
  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.
  31  *
  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.
  34  */
  35 /*! \internal \file
  36  * \brief
  37  * Implements classes in datatest.h.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_analysisdata
  41  */
  42 #include "datatest.h"
  43
  44 #include <gmock/gmock.h>
  45 #include <gtest/gtest.h>
  46
  47 #include "gromacs/analysisdata/analysisdata.h"
  48 #include "gromacs/analysisdata/paralleloptions.h"
  49 #include "gromacs/utility/gmxassert.h"
  50 #include "gromacs/utility/stringutil.h"
  51
  52 #include "gromacs/analysisdata/tests/mock_datamodule.h"
  53 #include "testutils/refdata.h"
  54 #include "testutils/testasserts.h"
  55
  56 namespace gmx
  57 {
  58
  59 namespace test
  60 {
  61
  62 /********************************************************************
  63  * AnalysisDataTestInputPointSet
  64  */
  65
  66 AnalysisDataTestInputPointSet::AnalysisDataTestInputPointSet(
  67         int index, int dataSetIndex, int firstColumn)
  68     : index_(index), dataSetIndex_(dataSetIndex), firstColumn_(firstColumn)
  69 {
  70 }
  71
  72
  73 /********************************************************************
  74  * AnalysisDataTestInputFrame
  75  */
  76
  77 AnalysisDataTestInputFrame::AnalysisDataTestInputFrame(int index, real x)
  78     : index_(index), x_(x)
  79 {
  80 }
  81
  82 AnalysisDataTestInputPointSet &
  83 AnalysisDataTestInputFrame::addPointSet(int dataSet, int firstColumn)
  84 {
  85     pointSets_.push_back(
  86             AnalysisDataTestInputPointSet(pointSets_.size(),
  87                                           dataSet, firstColumn));
  88     return pointSets_.back();
  89 }
  90
  91 void AnalysisDataTestInputFrame::addPointSetWithValues(
  92         int dataSet, int firstColumn, real y1)
  93 {
  94     AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
  95     pointSet.addValue(y1);
  96 }
  97
  98 void AnalysisDataTestInputFrame::addPointSetWithValues(
  99         int dataSet, int firstColumn, real y1, real y2)
 100 {
 101     AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
 102     pointSet.addValue(y1);
 103     pointSet.addValue(y2);
 104 }
 105
 106 void AnalysisDataTestInputFrame::addPointSetWithValues(
 107         int dataSet, int firstColumn, real y1, real y2, real y3)
 108 {
 109     AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
 110     pointSet.addValue(y1);
 111     pointSet.addValue(y2);
 112     pointSet.addValue(y3);
 113 }
 114
 115 void AnalysisDataTestInputFrame::addPointSetWithValueAndError(
 116         int dataSet, int firstColumn, real y1, real e1)
 117 {
 118     AnalysisDataTestInputPointSet &pointSet = addPointSet(dataSet, firstColumn);
 119     pointSet.addValueWithError(y1, e1);
 120 }
 121
 122
 123 /********************************************************************
 124  * AnalysisDataTestInput
 125  */
 126
 127 AnalysisDataTestInput::AnalysisDataTestInput(int dataSetCount, bool bMultipoint)
 128     : columnCounts_(dataSetCount), bMultipoint_(bMultipoint)
 129 {
 130 }
 131
 132
 133 AnalysisDataTestInput::~AnalysisDataTestInput()
 134 {
 135 }
 136
 137
 138 const AnalysisDataTestInputFrame &AnalysisDataTestInput::frame(int index) const
 139 {
 140     GMX_RELEASE_ASSERT(index >= 0 && index < frameCount(),
 141                        "Out-of-range frame index");
 142     return frames_[index];
 143 }
 144
 145
 146 void AnalysisDataTestInput::setColumnCount(int dataSet, int columnCount)
 147 {
 148     GMX_RELEASE_ASSERT(dataSet >= 0 && dataSet < dataSetCount(),
 149                        "Out-of-range data set index");
 150     columnCounts_[dataSet] = columnCount;
 151 }
 152
 153
 154 AnalysisDataTestInputFrame &AnalysisDataTestInput::addFrame(real x)
 155 {
 156     frames_.push_back(AnalysisDataTestInputFrame(frames_.size(), x));
 157     return frames_.back();
 158 }
 159
 160 void AnalysisDataTestInput::addFrameWithValues(real x, real y1)
 161 {
 162     AnalysisDataTestInputFrame &frame = addFrame(x);
 163     frame.addPointSetWithValues(0, 0, y1);
 164 }
 165
 166 void AnalysisDataTestInput::addFrameWithValues(real x, real y1, real y2)
 167 {
 168     AnalysisDataTestInputFrame &frame = addFrame(x);
 169     frame.addPointSetWithValues(0, 0, y1, y2);
 170 }
 171
 172 void AnalysisDataTestInput::addFrameWithValues(real x, real y1, real y2, real y3)
 173 {
 174     AnalysisDataTestInputFrame &frame = addFrame(x);
 175     frame.addPointSetWithValues(0, 0, y1, y2, y3);
 176 }
 177
 178 void AnalysisDataTestInput::addFrameWithValueAndError(real x, real y1, real e1)
 179 {
 180     AnalysisDataTestInputFrame &frame = addFrame(x);
 181     frame.addPointSetWithValueAndError(0, 0, y1, e1);
 182 }
 183
 184
 185 /********************************************************************
 186  * AnalysisDataTest
 187  */
 188
 189 AnalysisDataTestFixture::AnalysisDataTestFixture()
 190 {
 191 }
 192
 193
 194 void AnalysisDataTestFixture::setupDataObject(const AnalysisDataTestInput &input,
 195                                               AnalysisData                *data)
 196 {
 197     data->setDataSetCount(input.dataSetCount());
 198     for (int i = 0; i < input.dataSetCount(); ++i)
 199     {
 200         data->setColumnCount(i, input.columnCount(i));
 201     }
 202     data->setMultipoint(input.isMultipoint());
 203 }
 204
 205
 206 void AnalysisDataTestFixture::presentAllData(const AnalysisDataTestInput &input,
 207                                              AnalysisData                *data)
 208 {
 209     gmx::AnalysisDataParallelOptions options;
 210     gmx::AnalysisDataHandle          handle = data->startData(options);
 211     for (int row = 0; row < input.frameCount(); ++row)
 212     {
 213         presentDataFrame(input, row, handle);
 214         EXPECT_EQ(row + 1, data->frameCount());
 215     }
 216     handle.finishData();
 217 }
 218
 219
 220 void AnalysisDataTestFixture::presentDataFrame(const AnalysisDataTestInput &input,
 221                                                int row, AnalysisDataHandle handle)
 222 {
 223     const AnalysisDataTestInputFrame &frame = input.frame(row);
 224     handle.startFrame(row, frame.x(), frame.dx());
 225     for (int i = 0; i < frame.pointSetCount(); ++i)
 226     {
 227         const AnalysisDataTestInputPointSet &points = frame.pointSet(i);
 228         handle.selectDataSet(points.dataSetIndex());
 229         for (int j = 0; j < points.size(); ++j)
 230         {
 231             if (points.hasError(j))
 232             {
 233                 handle.setPoint(j + points.firstColumn(),
 234                                 points.y(j), points.error(j), points.present(j));
 235             }
 236             else
 237             {
 238                 handle.setPoint(j + points.firstColumn(),
 239                                 points.y(j), points.present(j));
 240             }
 241         }
 242         if (input.isMultipoint())
 243         {
 244             handle.finishPointSet();
 245         }
 246     }
 247     handle.finishFrame();
 248 }
 249
 250
 251 void
 252 AnalysisDataTestFixture::addStaticCheckerModule(const AnalysisDataTestInput &data,
 253                                                 AbstractAnalysisData        *source)
 254 {
 255     MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
 256     module->setupStaticCheck(data, source, false);
 257     source->addModule(module);
 258 }
 259
 260
 261 void
 262 AnalysisDataTestFixture::addStaticParallelCheckerModule(
 263         const AnalysisDataTestInput &data,
 264         AbstractAnalysisData        *source)
 265 {
 266     MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
 267     module->setupStaticCheck(data, source, true);
 268     source->addModule(module);
 269 }
 270
 271
 272 void
 273 AnalysisDataTestFixture::addStaticColumnCheckerModule(const AnalysisDataTestInput &data,
 274                                                       int firstcol, int n,
 275                                                       AbstractAnalysisData *source)
 276 {
 277     MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
 278     module->setupStaticColumnCheck(data, firstcol, n, source);
 279     source->addColumnModule(firstcol, n, module);
 280 }
 281
 282
 283 void
 284 AnalysisDataTestFixture::addStaticStorageCheckerModule(const AnalysisDataTestInput &data,
 285                                                        int                          storageCount,
 286                                                        AbstractAnalysisData        *source)
 287 {
 288     MockAnalysisDataModulePointer module(new MockAnalysisDataModule(0));
 289     module->setupStaticStorageCheck(data, storageCount, source);
 290     source->addModule(module);
 291 }
 292
 293
 294 void
 295 AnalysisDataTestFixture::addReferenceCheckerModule(TestReferenceChecker          checker,
 296                                                    const char                   *id,
 297                                                    AbstractAnalysisData         *source,
 298                                                    const FloatingPointTolerance &tolerance)
 299 {
 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);
 305 }
 306
 307
 308 void
 309 AnalysisDataTestFixture::addReferenceCheckerModule(const char           *id,
 310                                                    AbstractAnalysisData *source)
 311 {
 312     addReferenceCheckerModule(data_.rootChecker(), id, source,
 313                               defaultRealTolerance());
 314 }
 315
 316 } // namespace test
 317 } // namespace gmx