src/gromacs/trajectoryanalysis/tests/moduletest.cpp

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  31 /*! \internal \file
  32  * \brief
  33  * Implements classes in moduletest.h.
  34  *
  35  * \author Teemu Murtola <teemu.murtola@cbr.su.se>
  36  * \ingroup module_trajectoryanalysis
  37  */
  38 #include "moduletest.h"
  39
  40 #include <set>
  41 #include <string>
  42 #include <vector>
  43
  44 #include "gromacs/trajectoryanalysis/analysismodule.h"
  45 #include "gromacs/trajectoryanalysis/cmdlinerunner.h"
  46 #include "gromacs/utility/file.h"
  47
  48 #include "testutils/cmdlinetest.h"
  49 #include "testutils/datatest.h"
  50 #include "testutils/refdata.h"
  51 #include "testutils/testfilemanager.h"
  52
  53 namespace gmx
  54 {
  55 namespace test
  56 {
  57
  58 /********************************************************************
  59  * AbstractTrajectoryAnalysisModuleTestFixture::Impl
  60  */
  61
  62 class AbstractTrajectoryAnalysisModuleTestFixture::Impl
  63 {
  64     public:
  65         struct OutputFileInfo
  66         {
  67             OutputFileInfo(const char *option, const std::string &path)
  68                 : option(option), path(path)
  69             {
  70             }
  71
  72             std::string         option;
  73             std::string         path;
  74         };
  75
  76         typedef std::set<std::string>       DatasetNames;
  77         typedef std::vector<OutputFileInfo> OutputFileList;
  78
  79         explicit Impl(AbstractTrajectoryAnalysisModuleTestFixture *parent);
  80
  81         TrajectoryAnalysisModule &module();
  82         void ensureModuleCreated();
  83
  84         AbstractTrajectoryAnalysisModuleTestFixture    &parent_;
  85         TrajectoryAnalysisModulePointer                 module_;
  86         TestReferenceData                               data_;
  87         CommandLine                                     cmdline_;
  88         TestFileManager                                 tempFiles_;
  89         DatasetNames                                    moduleDatasets_;
  90         DatasetNames                                    outputDatasets_;
  91         OutputFileList                                  outputFiles_;
  92         bool                                            bDatasetsIncluded_;
  93 };
  94
  95 AbstractTrajectoryAnalysisModuleTestFixture::Impl::Impl(
  96         AbstractTrajectoryAnalysisModuleTestFixture *parent)
  97     : parent_(*parent), bDatasetsIncluded_(false)
  98 {
  99     cmdline_.append("module");
 100     cmdline_.append("-quiet");
 101 }
 102
 103 TrajectoryAnalysisModule &
 104 AbstractTrajectoryAnalysisModuleTestFixture::Impl::module()
 105 {
 106     ensureModuleCreated();
 107     return *module_;
 108 }
 109
 110 void
 111 AbstractTrajectoryAnalysisModuleTestFixture::Impl::ensureModuleCreated()
 112 {
 113     if (module_.get() == NULL)
 114     {
 115         module_ = parent_.createModule();
 116         const std::vector<std::string> &datasetNames(module_->datasetNames());
 117         moduleDatasets_.clear();
 118         moduleDatasets_.insert(datasetNames.begin(), datasetNames.end());
 119         outputDatasets_ = moduleDatasets_;
 120     }
 121 }
 122
 123 /********************************************************************
 124  * AbstractTrajectoryAnalysisModuleTestFixture
 125  */
 126
 127 AbstractTrajectoryAnalysisModuleTestFixture::AbstractTrajectoryAnalysisModuleTestFixture()
 128     : impl_(new Impl(this))
 129 {
 130 }
 131
 132 AbstractTrajectoryAnalysisModuleTestFixture::~AbstractTrajectoryAnalysisModuleTestFixture()
 133 {
 134 }
 135
 136 void
 137 AbstractTrajectoryAnalysisModuleTestFixture::setTopology(const char *filename)
 138 {
 139     impl_->cmdline_.append("-s");
 140     impl_->cmdline_.append(TestFileManager::getInputFilePath(filename));
 141 }
 142
 143 void
 144 AbstractTrajectoryAnalysisModuleTestFixture::setTrajectory(const char *filename)
 145 {
 146     impl_->cmdline_.append("-f");
 147     impl_->cmdline_.append(TestFileManager::getInputFilePath(filename));
 148 }
 149
 150 void
 151 AbstractTrajectoryAnalysisModuleTestFixture::setOutputFile(const char *option,
 152                                                            const char *filename)
 153 {
 154     std::string fullFilename = impl_->tempFiles_.getTemporaryFilePath(filename);
 155     impl_->cmdline_.append(option);
 156     impl_->cmdline_.append(fullFilename);
 157     impl_->outputFiles_.push_back(Impl::OutputFileInfo(option, fullFilename));
 158 }
 159
 160 void
 161 AbstractTrajectoryAnalysisModuleTestFixture::includeDataset(const char *name)
 162 {
 163     impl_->ensureModuleCreated();
 164     if (!impl_->bDatasetsIncluded_)
 165     {
 166         impl_->outputDatasets_.clear();
 167     }
 168     bool bFound = (impl_->moduleDatasets_.find(name) != impl_->moduleDatasets_.end());
 169     GMX_RELEASE_ASSERT(bFound, "Attempted to include a non-existent dataset");
 170     impl_->outputDatasets_.insert(name);
 171 }
 172
 173 void
 174 AbstractTrajectoryAnalysisModuleTestFixture::excludeDataset(const char *name)
 175 {
 176     impl_->ensureModuleCreated();
 177     bool bFound = (impl_->outputDatasets_.erase(name) > 0);
 178     GMX_RELEASE_ASSERT(bFound, "Attempted to exclude a non-existent dataset");
 179 }
 180
 181 void
 182 AbstractTrajectoryAnalysisModuleTestFixture::runTest(const CommandLine &args)
 183 {
 184     TrajectoryAnalysisModule &module = impl_->module();
 185     // Skip first argument if it is the module name.
 186     int firstArg = (args.arg(0)[0] == '-' ? 0 : 1);
 187     for (int i = firstArg; i < args.argc(); ++i)
 188     {
 189         impl_->cmdline_.append(args.arg(i));
 190     }
 191
 192     TestReferenceChecker rootChecker(impl_->data_.rootChecker());
 193
 194     rootChecker.checkString(args.toString(), "CommandLine");
 195
 196     if (!impl_->outputDatasets_.empty())
 197     {
 198         TestReferenceChecker               dataChecker(
 199                 rootChecker.checkCompound("OutputData", "Data"));
 200         Impl::DatasetNames::const_iterator dataset;
 201         for (dataset = impl_->outputDatasets_.begin();
 202              dataset != impl_->outputDatasets_.end();
 203              ++dataset)
 204         {
 205             const char           *name    = dataset->c_str();
 206             AbstractAnalysisData &dataset = module.datasetFromName(name);
 207             AnalysisDataTestFixture::addReferenceCheckerModule(
 208                     dataChecker, name, &dataset);
 209         }
 210     }
 211
 212     TrajectoryAnalysisCommandLineRunner runner(&module);
 213     runner.setPrintCopyright(false);
 214     int rc = 0;
 215     EXPECT_NO_THROW(rc = runner.run(impl_->cmdline_.argc(), impl_->cmdline_.argv()));
 216     EXPECT_EQ(0, rc);
 217
 218     if (!impl_->outputFiles_.empty())
 219     {
 220         TestReferenceChecker                 outputChecker(
 221                 rootChecker.checkCompound("OutputFiles", "Files"));
 222         Impl::OutputFileList::const_iterator outfile;
 223         for (outfile = impl_->outputFiles_.begin();
 224              outfile != impl_->outputFiles_.end();
 225              ++outfile)
 226         {
 227             std::string output = File::readToString(outfile->path);
 228             outputChecker.checkStringBlock(output, outfile->option.c_str());
 229         }
 230     }
 231 }
 232
 233 } // namespace test
 234 } // namespace gmx