src/gromacs/analysisdata/abstractdata.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements gmx::AbstractAnalysisData.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_analysisdata
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "abstractdata.h"
  45
  46 #include <utility>
  47 #include <vector>
  48
  49 #include "gromacs/analysisdata/dataframe.h"
  50 #include "gromacs/analysisdata/datamodule.h"
  51 #include "gromacs/analysisdata/datamodulemanager.h"
  52 #include "gromacs/utility/exceptions.h"
  53 #include "gromacs/utility/gmxassert.h"
  54
  55 #include "dataproxy.h"
  56
  57 namespace gmx
  58 {
  59
  60 /********************************************************************
  61  * AbstractAnalysisData::Impl
  62  */
  63
  64 /*! \internal \brief
  65  * Private implementation class for AbstractAnalysisData.
  66  *
  67  * \ingroup module_analysisdata
  68  */
  69 class AbstractAnalysisData::Impl
  70 {
  71     public:
  72         Impl();
  73
  74         //! Column counts for each data set in the data.
  75         std::vector<int>           columnCounts_;
  76         //! Whether the data is multipoint.
  77         bool                       bMultipoint_;
  78         //! Manager for the added modules.
  79         AnalysisDataModuleManager  modules_;
  80 };
  81
  82 AbstractAnalysisData::Impl::Impl()
  83     : bMultipoint_(false)
  84 {
  85     columnCounts_.push_back(0);
  86 }
  87
  88
  89 /********************************************************************
  90  * AbstractAnalysisData
  91  */
  92 /*! \cond libapi */
  93 AbstractAnalysisData::AbstractAnalysisData()
  94     : impl_(new Impl())
  95 {
  96 }
  97 //! \endcond
  98
  99 AbstractAnalysisData::~AbstractAnalysisData()
 100 {
 101 }
 102
 103 bool
 104 AbstractAnalysisData::isMultipoint() const
 105 {
 106     return impl_->bMultipoint_;
 107 }
 108
 109 int
 110 AbstractAnalysisData::dataSetCount() const
 111 {
 112     return impl_->columnCounts_.size();
 113 }
 114
 115 int
 116 AbstractAnalysisData::columnCount(int dataSet) const
 117 {
 118     GMX_ASSERT(dataSet >= 0 && dataSet < dataSetCount(),
 119                "Out of range data set index");
 120     return impl_->columnCounts_[dataSet];
 121 }
 122
 123 int
 124 AbstractAnalysisData::columnCount() const
 125 {
 126     GMX_ASSERT(dataSetCount() == 1,
 127                "Convenience method not available for multiple data sets");
 128     return columnCount(0);
 129 }
 130
 131
 132 AnalysisDataFrameRef
 133 AbstractAnalysisData::tryGetDataFrame(int index) const
 134 {
 135     if (index < 0 || index >= frameCount())
 136     {
 137         return AnalysisDataFrameRef();
 138     }
 139     return tryGetDataFrameInternal(index);
 140 }
 141
 142
 143 AnalysisDataFrameRef
 144 AbstractAnalysisData::getDataFrame(int index) const
 145 {
 146     AnalysisDataFrameRef frame = tryGetDataFrame(index);
 147     if (!frame.isValid())
 148     {
 149         GMX_THROW(APIError("Invalid frame accessed"));
 150     }
 151     return frame;
 152 }
 153
 154
 155 bool
 156 AbstractAnalysisData::requestStorage(int nframes)
 157 {
 158     GMX_RELEASE_ASSERT(nframes >= -1, "Invalid number of frames requested");
 159     if (nframes == 0)
 160     {
 161         return true;
 162     }
 163     return requestStorageInternal(nframes);
 164 }
 165
 166
 167 void
 168 AbstractAnalysisData::addModule(AnalysisDataModulePointer module)
 169 {
 170     impl_->modules_.addModule(this, std::move(module));
 171 }
 172
 173
 174 void
 175 AbstractAnalysisData::addColumnModule(int col, int span,
 176                                       AnalysisDataModulePointer module)
 177 {
 178     GMX_RELEASE_ASSERT(col >= 0 && span >= 1,
 179                        "Invalid columns specified for a column module");
 180     std::shared_ptr<AnalysisDataProxy> proxy(
 181             new AnalysisDataProxy(col, span, this));
 182     proxy->addModule(std::move(module));
 183     addModule(proxy);
 184 }
 185
 186
 187 void
 188 AbstractAnalysisData::applyModule(IAnalysisDataModule *module)
 189 {
 190     impl_->modules_.applyModule(this, module);
 191 }
 192
 193 /*! \cond libapi */
 194 void
 195 AbstractAnalysisData::setDataSetCount(int dataSetCount)
 196 {
 197     GMX_RELEASE_ASSERT(dataSetCount > 0, "Invalid data column count");
 198     impl_->modules_.dataPropertyAboutToChange(
 199             AnalysisDataModuleManager::eMultipleDataSets, dataSetCount > 1);
 200     impl_->columnCounts_.resize(dataSetCount);
 201 }
 202
 203 void
 204 AbstractAnalysisData::setColumnCount(int dataSet, int columnCount)
 205 {
 206     GMX_RELEASE_ASSERT(dataSet >= 0 && dataSet < dataSetCount(),
 207                        "Out of range data set index");
 208     GMX_RELEASE_ASSERT(columnCount > 0, "Invalid data column count");
 209
 210     bool bMultipleColumns = columnCount > 1;
 211     for (int i = 0; i < dataSetCount() && !bMultipleColumns; ++i)
 212     {
 213         if (i != dataSet && this->columnCount(i) > 1)
 214         {
 215             bMultipleColumns = true;
 216         }
 217     }
 218     impl_->modules_.dataPropertyAboutToChange(
 219             AnalysisDataModuleManager::eMultipleColumns, bMultipleColumns);
 220     impl_->columnCounts_[dataSet] = columnCount;
 221 }
 222
 223 void
 224 AbstractAnalysisData::setMultipoint(bool bMultipoint)
 225 {
 226     impl_->modules_.dataPropertyAboutToChange(
 227             AnalysisDataModuleManager::eMultipoint, bMultipoint);
 228     impl_->bMultipoint_ = bMultipoint;
 229 }
 230
 231 AnalysisDataModuleManager &AbstractAnalysisData::moduleManager()
 232 {
 233     return impl_->modules_;
 234 }
 235
 236 const AnalysisDataModuleManager &AbstractAnalysisData::moduleManager() const
 237 {
 238     return impl_->modules_;
 239 }
 240 //! \endcond
 241
 242 } // namespace gmx