src/gromacs/trajectoryanalysis/tests/moduletest.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements classes in moduletest.h.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_trajectoryanalysis
  41  */
  42 #include "moduletest.h"
  43
  44 #include <set>
  45 #include <string>
  46 #include <vector>
  47
  48 #include "gromacs/trajectoryanalysis/analysismodule.h"
  49 #include "gromacs/trajectoryanalysis/cmdlinerunner.h"
  50 #include "gromacs/utility/file.h"
  51
  52 #include "testutils/cmdlinetest.h"
  53 #include "testutils/datatest.h"
  54 #include "testutils/refdata.h"
  55 #include "testutils/testasserts.h"
  56 #include "testutils/testfilemanager.h"
  57
  58 namespace gmx
  59 {
  60 namespace test
  61 {
  62
  63 /********************************************************************
  64  * AbstractTrajectoryAnalysisModuleTestFixture::Impl
  65  */
  66
  67 class AbstractTrajectoryAnalysisModuleTestFixture::Impl
  68 {
  69     public:
  70         struct OutputFileInfo
  71         {
  72             OutputFileInfo(const char *option, const std::string &path)
  73                 : option(option), path(path)
  74             {
  75             }
  76
  77             std::string         option;
  78             std::string         path;
  79         };
  80
  81         typedef std::set<std::string>       DatasetNames;
  82         typedef std::vector<OutputFileInfo> OutputFileList;
  83
  84         explicit Impl(AbstractTrajectoryAnalysisModuleTestFixture *parent);
  85
  86         TrajectoryAnalysisModule &module();
  87         void ensureModuleCreated();
  88
  89         AbstractTrajectoryAnalysisModuleTestFixture    &parent_;
  90         TrajectoryAnalysisModulePointer                 module_;
  91         TestReferenceData                               data_;
  92         CommandLine                                     cmdline_;
  93         TestFileManager                                 tempFiles_;
  94         DatasetNames                                    moduleDatasets_;
  95         DatasetNames                                    outputDatasets_;
  96         OutputFileList                                  outputFiles_;
  97         bool                                            bDatasetsIncluded_;
  98 };
  99
 100 AbstractTrajectoryAnalysisModuleTestFixture::Impl::Impl(
 101         AbstractTrajectoryAnalysisModuleTestFixture *parent)
 102     : parent_(*parent), bDatasetsIncluded_(false)
 103 {
 104     cmdline_.append("module");
 105 }
 106
 107 TrajectoryAnalysisModule &
 108 AbstractTrajectoryAnalysisModuleTestFixture::Impl::module()
 109 {
 110     ensureModuleCreated();
 111     return *module_;
 112 }
 113
 114 void
 115 AbstractTrajectoryAnalysisModuleTestFixture::Impl::ensureModuleCreated()
 116 {
 117     if (module_.get() == NULL)
 118     {
 119         module_ = parent_.createModule();
 120         const std::vector<std::string> &datasetNames(module_->datasetNames());
 121         moduleDatasets_.clear();
 122         moduleDatasets_.insert(datasetNames.begin(), datasetNames.end());
 123         outputDatasets_ = moduleDatasets_;
 124     }
 125 }
 126
 127 /********************************************************************
 128  * AbstractTrajectoryAnalysisModuleTestFixture
 129  */
 130
 131 AbstractTrajectoryAnalysisModuleTestFixture::AbstractTrajectoryAnalysisModuleTestFixture()
 132     : impl_(new Impl(this))
 133 {
 134 }
 135
 136 AbstractTrajectoryAnalysisModuleTestFixture::~AbstractTrajectoryAnalysisModuleTestFixture()
 137 {
 138 }
 139
 140 void
 141 AbstractTrajectoryAnalysisModuleTestFixture::setTopology(const char *filename)
 142 {
 143     impl_->cmdline_.append("-s");
 144     impl_->cmdline_.append(TestFileManager::getInputFilePath(filename));
 145 }
 146
 147 void
 148 AbstractTrajectoryAnalysisModuleTestFixture::setTrajectory(const char *filename)
 149 {
 150     impl_->cmdline_.append("-f");
 151     impl_->cmdline_.append(TestFileManager::getInputFilePath(filename));
 152 }
 153
 154 void
 155 AbstractTrajectoryAnalysisModuleTestFixture::setOutputFile(const char *option,
 156                                                            const char *filename)
 157 {
 158     std::string fullFilename = impl_->tempFiles_.getTemporaryFilePath(filename);
 159     impl_->cmdline_.append(option);
 160     impl_->cmdline_.append(fullFilename);
 161     impl_->outputFiles_.push_back(Impl::OutputFileInfo(option, fullFilename));
 162 }
 163
 164 void
 165 AbstractTrajectoryAnalysisModuleTestFixture::includeDataset(const char *name)
 166 {
 167     impl_->ensureModuleCreated();
 168     if (!impl_->bDatasetsIncluded_)
 169     {
 170         impl_->outputDatasets_.clear();
 171     }
 172     bool bFound = (impl_->moduleDatasets_.find(name) != impl_->moduleDatasets_.end());
 173     GMX_RELEASE_ASSERT(bFound, "Attempted to include a non-existent dataset");
 174     impl_->outputDatasets_.insert(name);
 175 }
 176
 177 void
 178 AbstractTrajectoryAnalysisModuleTestFixture::excludeDataset(const char *name)
 179 {
 180     impl_->ensureModuleCreated();
 181     bool bFound = (impl_->outputDatasets_.erase(name) > 0);
 182     GMX_RELEASE_ASSERT(bFound, "Attempted to exclude a non-existent dataset");
 183 }
 184
 185 void
 186 AbstractTrajectoryAnalysisModuleTestFixture::runTest(const CommandLine &args)
 187 {
 188     TrajectoryAnalysisModule &module = impl_->module();
 189     // Skip first argument if it is the module name.
 190     int firstArg = (args.arg(0)[0] == '-' ? 0 : 1);
 191     for (int i = firstArg; i < args.argc(); ++i)
 192     {
 193         impl_->cmdline_.append(args.arg(i));
 194     }
 195
 196     TestReferenceChecker rootChecker(impl_->data_.rootChecker());
 197
 198     rootChecker.checkString(args.toString(), "CommandLine");
 199
 200     if (!impl_->outputDatasets_.empty())
 201     {
 202         TestReferenceChecker               dataChecker(
 203                 rootChecker.checkCompound("OutputData", "Data"));
 204         Impl::DatasetNames::const_iterator dataset;
 205         for (dataset = impl_->outputDatasets_.begin();
 206              dataset != impl_->outputDatasets_.end();
 207              ++dataset)
 208         {
 209             const char           *name    = dataset->c_str();
 210             AbstractAnalysisData &dataset = module.datasetFromName(name);
 211             AnalysisDataTestFixture::addReferenceCheckerModule(
 212                     dataChecker, name, &dataset);
 213         }
 214     }
 215
 216     TrajectoryAnalysisCommandLineRunner runner(&module);
 217     runner.setUseDefaultGroups(false);
 218     int rc = 0;
 219     EXPECT_NO_THROW_GMX(rc = runner.run(impl_->cmdline_.argc(), impl_->cmdline_.argv()));
 220     EXPECT_EQ(0, rc);
 221
 222     if (!impl_->outputFiles_.empty())
 223     {
 224         TestReferenceChecker                 outputChecker(
 225                 rootChecker.checkCompound("OutputFiles", "Files"));
 226         Impl::OutputFileList::const_iterator outfile;
 227         for (outfile = impl_->outputFiles_.begin();
 228              outfile != impl_->outputFiles_.end();
 229              ++outfile)
 230         {
 231             std::string output = File::readToString(outfile->path);
 232             outputChecker.checkStringBlock(output, outfile->option.c_str());
 233         }
 234     }
 235 }
 236
 237 } // namespace test
 238 } // namespace gmx