template<typename ValueType>
class AnalysisDataFrameLocalDataSetHandle
{
- public:
- //! Constructs a handle from an array of values.
- explicit AnalysisDataFrameLocalDataSetHandle(ArrayRef<ValueType> values)
- : values_(values)
- {
- }
+public:
+ //! Constructs a handle from an array of values.
+ explicit AnalysisDataFrameLocalDataSetHandle(ArrayRef<ValueType> values) : values_(values) {}
- //! Clears all values in the data set.
- void clear()
- {
- std::fill(values_.begin(), values_.end(), ValueType());
- }
+ //! Clears all values in the data set.
+ void clear() { std::fill(values_.begin(), values_.end(), ValueType()); }
- //! Accesses a single value in the data set.
- ValueType &value(int column)
- {
- GMX_ASSERT(column >= 0 && column < ssize(values_),
- "Invalid column index");
- return values_[column];
- }
+ //! Accesses a single value in the data set.
+ ValueType& value(int column)
+ {
+ GMX_ASSERT(column >= 0 && column < ssize(values_), "Invalid column index");
+ return values_[column];
+ }
- private:
- ArrayRef<ValueType> values_;
+private:
+ ArrayRef<ValueType> values_;
};
/*! \internal
template<typename ValueType>
class AnalysisDataFrameLocalDataHandle
{
- public:
- //! Shorthand for the internal array of values.
- typedef std::vector<ValueType> ValueArray;
- //! Shorthand for a handle to a single data set.
- typedef AnalysisDataFrameLocalDataSetHandle<ValueType> DataSetHandle;
+public:
+ //! Shorthand for the internal array of values.
+ typedef std::vector<ValueType> ValueArray;
+ //! Shorthand for a handle to a single data set.
+ typedef AnalysisDataFrameLocalDataSetHandle<ValueType> DataSetHandle;
- //! Constructs a handle from specified frame data.
- AnalysisDataFrameLocalDataHandle(const std::vector<int> *dataSetIndices,
- ValueArray *values)
- : dataSetIndices_(dataSetIndices), values_(values)
- {
- }
+ //! Constructs a handle from specified frame data.
+ AnalysisDataFrameLocalDataHandle(const std::vector<int>* dataSetIndices, ValueArray* values) :
+ dataSetIndices_(dataSetIndices),
+ values_(values)
+ {
+ }
- //! Returns the number of data sets in the array.
- int dataSetCount() const
- {
- return dataSetIndices_->size() - 1;
- }
- //! Clears all values in the frame.
- void clear()
- {
- std::fill(values_->begin(), values_->end(), ValueType());
- }
+ //! Returns the number of data sets in the array.
+ int dataSetCount() const { return dataSetIndices_->size() - 1; }
+ //! Clears all values in the frame.
+ void clear() { std::fill(values_->begin(), values_->end(), ValueType()); }
- //! Returns a handle for a single data set.
- DataSetHandle dataSet(int dataSet)
- {
- GMX_ASSERT(dataSet >= 0 && dataSet < dataSetCount(),
- "Invalid data set index");
- const int firstIndex = (*dataSetIndices_)[dataSet];
- const int lastIndex = (*dataSetIndices_)[dataSet + 1];
- return DataSetHandle(makeArrayRef(*values_).
- subArray(firstIndex, lastIndex-firstIndex));
- }
- //! Accesses a single value in the frame.
- ValueType &value(int dataSet, int column)
- {
- GMX_ASSERT(dataSet >= 0 && dataSet < dataSetCount(),
- "Invalid data set index");
- const int firstIndex = (*dataSetIndices_)[dataSet];
- GMX_ASSERT(column >= 0
- && column < (*dataSetIndices_)[dataSet+1] - firstIndex,
- "Invalid column index");
- return (*values_)[firstIndex + column];
- }
+ //! Returns a handle for a single data set.
+ DataSetHandle dataSet(int dataSet)
+ {
+ GMX_ASSERT(dataSet >= 0 && dataSet < dataSetCount(), "Invalid data set index");
+ const int firstIndex = (*dataSetIndices_)[dataSet];
+ const int lastIndex = (*dataSetIndices_)[dataSet + 1];
+ return DataSetHandle(makeArrayRef(*values_).subArray(firstIndex, lastIndex - firstIndex));
+ }
+ //! Accesses a single value in the frame.
+ ValueType& value(int dataSet, int column)
+ {
+ GMX_ASSERT(dataSet >= 0 && dataSet < dataSetCount(), "Invalid data set index");
+ const int firstIndex = (*dataSetIndices_)[dataSet];
+ GMX_ASSERT(column >= 0 && column < (*dataSetIndices_)[dataSet + 1] - firstIndex,
+ "Invalid column index");
+ return (*values_)[firstIndex + column];
+ }
- private:
- const std::vector<int> *dataSetIndices_;
- ValueArray *values_;
+private:
+ const std::vector<int>* dataSetIndices_;
+ ValueArray* values_;
};
/*! \internal \brief
template<typename ValueType>
class AnalysisDataFrameLocalData
{
- public:
- //! Shorthand for the internal array of values for a frame.
- typedef std::vector<ValueType> ValueArray;
- //! Shorthand for a handle to a single frame.
- typedef AnalysisDataFrameLocalDataHandle<ValueType> FrameHandle;
- //! Shorthand for a handle to a single data set.
- typedef AnalysisDataFrameLocalDataSetHandle<ValueType> DataSetHandle;
+public:
+ //! Shorthand for the internal array of values for a frame.
+ typedef std::vector<ValueType> ValueArray;
+ //! Shorthand for a handle to a single frame.
+ typedef AnalysisDataFrameLocalDataHandle<ValueType> FrameHandle;
+ //! Shorthand for a handle to a single data set.
+ typedef AnalysisDataFrameLocalDataSetHandle<ValueType> DataSetHandle;
- //! Constructs an empty container with a single data set.
- AnalysisDataFrameLocalData()
- {
- dataSetColumns_.resize(2);
- }
+ //! Constructs an empty container with a single data set.
+ AnalysisDataFrameLocalData() { dataSetColumns_.resize(2); }
- //! Whether init() has been called.
- bool isInitialized() const { return !values_.empty(); }
- /*! \brief
- * Returns number of independent data frames in this object.
- *
- * This supports looping over all the frame arrays to, e.g., sum them
- * up at the end in accumulation scenarios.
- */
- int frameCount() const { return values_.size(); }
+ //! Whether init() has been called.
+ bool isInitialized() const { return !values_.empty(); }
+ /*! \brief
+ * Returns number of independent data frames in this object.
+ *
+ * This supports looping over all the frame arrays to, e.g., sum them
+ * up at the end in accumulation scenarios.
+ */
+ int frameCount() const { return values_.size(); }
- /*! \brief
- * Sets the number of data sets stored for each frame.
- *
- * \throws std::bad_alloc if out of memory.
- *
- * If not called, there is a single data set in the object.
- * Cannot be called after init().
- */
- void setDataSetCount(int dataSetCount)
- {
- GMX_RELEASE_ASSERT(!isInitialized(),
- "Cannot change value count after init()");
- GMX_RELEASE_ASSERT(dataSetCount >= 0,
- "Invalid data set count");
- dataSetColumns_.resize(dataSetCount + 1);
- }
- /*! \brief
- * Sets the number of columns stored for a data set.
- *
- * Must be called for each data set that needs to have values,
- * otherwise there will be zero columns for that data set.
- * Cannot be called after init().
- */
- void setColumnCount(int dataSet, int columnCount)
- {
- GMX_RELEASE_ASSERT(!isInitialized(),
- "Cannot change value count after init()");
- GMX_RELEASE_ASSERT(dataSet >= 0 && dataSet < ssize(dataSetColumns_) - 1,
- "Invalid data set index");
- GMX_RELEASE_ASSERT(columnCount >= 0,
- "Invalid column count");
- dataSetColumns_[dataSet + 1] = columnCount;
- }
+ /*! \brief
+ * Sets the number of data sets stored for each frame.
+ *
+ * \throws std::bad_alloc if out of memory.
+ *
+ * If not called, there is a single data set in the object.
+ * Cannot be called after init().
+ */
+ void setDataSetCount(int dataSetCount)
+ {
+ GMX_RELEASE_ASSERT(!isInitialized(), "Cannot change value count after init()");
+ GMX_RELEASE_ASSERT(dataSetCount >= 0, "Invalid data set count");
+ dataSetColumns_.resize(dataSetCount + 1);
+ }
+ /*! \brief
+ * Sets the number of columns stored for a data set.
+ *
+ * Must be called for each data set that needs to have values,
+ * otherwise there will be zero columns for that data set.
+ * Cannot be called after init().
+ */
+ void setColumnCount(int dataSet, int columnCount)
+ {
+ GMX_RELEASE_ASSERT(!isInitialized(), "Cannot change value count after init()");
+ GMX_RELEASE_ASSERT(dataSet >= 0 && dataSet < ssize(dataSetColumns_) - 1,
+ "Invalid data set index");
+ GMX_RELEASE_ASSERT(columnCount >= 0, "Invalid column count");
+ dataSetColumns_[dataSet + 1] = columnCount;
+ }
- /*! \brief
- * Initializes the storage to support specified parallelism.
- *
- * \throws std::bad_alloc if out of memory.
- */
- void init(const AnalysisDataParallelOptions &opt)
+ /*! \brief
+ * Initializes the storage to support specified parallelism.
+ *
+ * \throws std::bad_alloc if out of memory.
+ */
+ void init(const AnalysisDataParallelOptions& opt)
+ {
+ GMX_RELEASE_ASSERT(!isInitialized(), "init() called multiple times");
+ std::partial_sum(dataSetColumns_.begin(), dataSetColumns_.end(), dataSetColumns_.begin());
+ values_.resize(opt.parallelizationFactor());
+ typename std::vector<ValueArray>::iterator i;
+ for (i = values_.begin(); i != values_.end(); ++i)
{
- GMX_RELEASE_ASSERT(!isInitialized(), "init() called multiple times");
- std::partial_sum(dataSetColumns_.begin(), dataSetColumns_.end(),
- dataSetColumns_.begin());
- values_.resize(opt.parallelizationFactor());
- typename std::vector<ValueArray>::iterator i;
- for (i = values_.begin(); i != values_.end(); ++i)
- {
- i->resize(dataSetColumns_.back());
- }
+ i->resize(dataSetColumns_.back());
}
+ }
- //! Returns a handle to access data for a frame.
- FrameHandle frameData(int frameIndex)
- {
- GMX_ASSERT(frameIndex >= 0, "Invalid frame index");
- GMX_ASSERT(isInitialized(), "Cannot access data before init()");
- return FrameHandle(&dataSetColumns_,
- &values_[frameIndex % values_.size()]);
- }
- //! Returns a handle to access a single data set within a frame.
- DataSetHandle frameDataSet(int frameIndex, int dataSet)
- {
- return frameData(frameIndex).dataSet(dataSet);
- }
+ //! Returns a handle to access data for a frame.
+ FrameHandle frameData(int frameIndex)
+ {
+ GMX_ASSERT(frameIndex >= 0, "Invalid frame index");
+ GMX_ASSERT(isInitialized(), "Cannot access data before init()");
+ return FrameHandle(&dataSetColumns_, &values_[frameIndex % values_.size()]);
+ }
+ //! Returns a handle to access a single data set within a frame.
+ DataSetHandle frameDataSet(int frameIndex, int dataSet)
+ {
+ return frameData(frameIndex).dataSet(dataSet);
+ }
- private:
- /*! \brief
- * Index to find data sets within a per-frame array in `values_`.
- *
- * The first entry is always zero, followed by one entry for each data
- * set. Before init(), the data set entries hold the numbers set with
- * setColumnCount(). After init(), the data set entries hold the
- * indices of the first column for that data set in the per-frame
- * arrays in `values_`.
- */
- std::vector<int> dataSetColumns_;
- /*! \brief
- * Data array for each frame.
- *
- * This is a ring buffer whose size is specified by the desired
- * parallelism level. For each frame, there is a single array of
- * values, where the individual data sets are indexed with
- * `dataSetColumns_`.
- */
- std::vector<ValueArray> values_;
+private:
+ /*! \brief
+ * Index to find data sets within a per-frame array in `values_`.
+ *
+ * The first entry is always zero, followed by one entry for each data
+ * set. Before init(), the data set entries hold the numbers set with
+ * setColumnCount(). After init(), the data set entries hold the
+ * indices of the first column for that data set in the per-frame
+ * arrays in `values_`.
+ */
+ std::vector<int> dataSetColumns_;
+ /*! \brief
+ * Data array for each frame.
+ *
+ * This is a ring buffer whose size is specified by the desired
+ * parallelism level. For each frame, there is a single array of
+ * values, where the individual data sets are indexed with
+ * `dataSetColumns_`.
+ */
+ std::vector<ValueArray> values_;
};
//! \}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff