src/gromacs/analysisdata/abstractdata.cpp

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