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*
- * This source code is part of
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*
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/*! \file
* \brief
* Declares classes for accessing data frame information.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \inpublicapi
* \ingroup module_analysisdata
*/
#include <vector>
-#include "../legacyheaders/types/simple.h"
-
-#include "../utility/arrayref.h"
-#include "../utility/flags.h"
-#include "../utility/gmxassert.h"
+#include "gromacs/utility/arrayref.h"
+#include "gromacs/utility/flags.h"
+#include "gromacs/utility/gmxassert.h"
+#include "gromacs/utility/real.h"
namespace gmx
{
};
+/*! \cond libinternal */
+/*! \libinternal \brief
+ * Value type for internal indexing of point sets.
+ *
+ * This class contains the necessary data to split an array of
+ * AnalysisDataValue objects into point sets. It is always specified in the
+ * context of an array of AnalysisDataValues: the point set specified by this
+ * class contains valueCount() values, starting from the array index
+ * valueOffset().
+ * The value at location valueOffset() corresponds to column firstColumn().
+ * It is not necessary for code using the analysis data framework to know of
+ * this class, but it is declared in a public header to allow using it in other
+ * types.
+ *
+ * Default copy constructor and assignment operator are used and work as
+ * intended.
+ * Typically new objects of this type are only constructed internally by the
+ * library and in classes that are derived from AbstractAnalysisData.
+ *
+ * Methods in this class do not throw, but may contain asserts for incorrect
+ * usage.
+ *
+ * Note that it is not possible to change the contents of an initialized
+ * object, except by assigning a new object to replace it completely.
+ *
+ * \inlibraryapi
+ * \ingroup module_analysisdata
+ */
+class AnalysisDataPointSetInfo
+{
+ public:
+ //! Construct point set data object with the given values.
+ AnalysisDataPointSetInfo(int valueOffset, int valueCount,
+ int dataSetIndex, int firstColumn)
+ : valueOffset_(valueOffset), valueCount_(valueCount),
+ dataSetIndex_(dataSetIndex), firstColumn_(firstColumn)
+ {
+ GMX_ASSERT(valueOffset >= 0, "Negative value offsets are invalid");
+ GMX_ASSERT(valueCount >= 0, "Negative value counts are invalid");
+ GMX_ASSERT(dataSetIndex >= 0, "Negative data set indices are invalid");
+ GMX_ASSERT(firstColumn >= 0, "Negative column indices are invalid");
+ }
+
+ //! Returns the offset of the first value in the referenced value array.
+ int valueOffset() const { return valueOffset_; }
+ //! Returns the number of values in this point set.
+ int valueCount() const { return valueCount_; }
+ //! Returns the data set index for this point set.
+ int dataSetIndex() const { return dataSetIndex_; }
+ //! Returns the index of the first column in this point set.
+ int firstColumn() const { return firstColumn_; }
+
+ private:
+ int valueOffset_;
+ int valueCount_;
+ int dataSetIndex_;
+ int firstColumn_;
+};
+
+//! Shorthand for reference to an array of point set data objects.
+typedef ConstArrayRef<AnalysisDataPointSetInfo> AnalysisDataPointSetInfosRef;
+
+//! \endcond
+
+
/*! \brief
* Value type wrapper for non-mutable access to a set of data column values.
*
/*! \brief
* Constructs a point set reference from given values.
*
- * \param[in] header Header for the frame.
- * \param[in] firstColumn Zero-based index of the first column.
- * Must be >= 0.
- * \param[in] values Values for each column.
+ * \param[in] header Header for the frame.
+ * \param[in] pointSetInfo Information about the point set.
+ * \param[in] values Values for each column.
*
- * The first element in \p values should correspond to \p firstColumn.
+ * The first element of the point set should be found from \p values
+ * using the offset in \p pointSetInfo.
*/
- AnalysisDataPointSetRef(const AnalysisDataFrameHeader &header,
- int firstColumn,
- const AnalysisDataValuesRef &values);
+ AnalysisDataPointSetRef(const AnalysisDataFrameHeader &header,
+ const AnalysisDataPointSetInfo &pointSetInfo,
+ const AnalysisDataValuesRef &values);
/*! \brief
* Constructs a point set reference from given values.
*
* The first element in \p values should correspond to the first
* column.
*/
- AnalysisDataPointSetRef(const AnalysisDataFrameHeader &header,
+ AnalysisDataPointSetRef(const AnalysisDataFrameHeader &header,
const std::vector<AnalysisDataValue> &values);
/*! \brief
* Constructs a point set reference to a subset of columns.
{
return header_.dx();
}
+ //! Returns zero-based index of the dataset that this set is part of.
+ int dataSetIndex() const
+ {
+ return dataSetIndex_;
+ }
//! Returns zero-based index of the first column included in this set.
int firstColumn() const
{
private:
AnalysisDataFrameHeader header_;
+ int dataSetIndex_;
int firstColumn_;
AnalysisDataValuesRef values_;
};
* Note that it is not possible to change the contents of an initialized
* object, except by assigning a new object to replace it completely.
*
- * \todo
- * Support for multipoint data.
- *
* \inpublicapi
* \ingroup module_analysisdata
*/
*
* \param[in] header Header for the frame.
* \param[in] values Values for each column.
+ * \param[in] pointSets Point set data.
*/
- AnalysisDataFrameRef(const AnalysisDataFrameHeader &header,
- const AnalysisDataValuesRef &values);
+ AnalysisDataFrameRef(const AnalysisDataFrameHeader &header,
+ const AnalysisDataValuesRef &values,
+ const AnalysisDataPointSetInfosRef &pointSets);
/*! \brief
* Constructs a frame reference from given values.
*
* \param[in] header Header for the frame.
* \param[in] values Values for each column.
+ * \param[in] pointSets Point set data.
*/
- AnalysisDataFrameRef(const AnalysisDataFrameHeader &header,
- const std::vector<AnalysisDataValue> &values);
+ AnalysisDataFrameRef(const AnalysisDataFrameHeader &header,
+ const std::vector<AnalysisDataValue> &values,
+ const std::vector<AnalysisDataPointSetInfo> &pointSets);
/*! \brief
* Constructs a frame reference to a subset of columns.
*
return header().dx();
}
/*! \brief
- * Returns point set reference to the column values of this frame.
+ * Returns the number of point sets for this frame.
*
- * Should not be called for invalid frames.
+ * Returns zero for an invalid frame.
*/
- AnalysisDataPointSetRef points() const
+ int pointSetCount() const
{
- GMX_ASSERT(isValid(), "Invalid data frame accessed");
- return AnalysisDataPointSetRef(header_, 0, values_);
+ return pointSets_.size();
}
/*! \brief
- * Returns number of columns in this frame.
+ * Returns point set reference for a given point set.
*
- * Returns zero for an invalid frame.
+ * Should not be called for invalid frames.
*/
- int columnCount() const
+ AnalysisDataPointSetRef pointSet(int index) const
{
- return values_.size();
- }
- /*! \brief
- * Returns reference container for all column values.
- */
- const AnalysisDataValuesRef &values() const
- {
- return values_;
+ GMX_ASSERT(isValid(), "Invalid data frame accessed");
+ GMX_ASSERT(index >= 0 && index < pointSetCount(),
+ "Out of range data access");
+ return AnalysisDataPointSetRef(header_, pointSets_[index], values_);
}
/*! \brief
- * Convenience method for accessing a column value.
+ * Convenience method for accessing a column value in simple data.
*
* \copydetails AnalysisDataPointSetRef::y()
*/
real y(int i) const
{
- GMX_ASSERT(isValid(), "Invalid data frame accessed");
- GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
- return values_[i].value();
+ return singleColumnValue(i).value();
}
/*! \brief
- * Convenience method for accessing error for a column value.
+ * Convenience method for accessing error for a column value in simple
+ * data.
*
* \copydetails AnalysisDataPointSetRef::dy()
*/
real dy(int i) const
{
- GMX_ASSERT(isValid(), "Invalid data frame accessed");
- GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
- return values_[i].error();
+ return singleColumnValue(i).error();
}
/*! \brief
- * Convenience method for accessing present status for a column.
+ * Convenience method for accessing present status for a column in
+ * simple data.
*
* \copydetails AnalysisDataPointSetRef::present()
*/
bool present(int i) const
{
- GMX_ASSERT(isValid(), "Invalid data frame accessed");
- GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
- return values_[i].isPresent();
+ return singleColumnValue(i).isPresent();
}
/*! \brief
* Returns true if all points in this frame are present.
bool allPresent() const;
private:
- AnalysisDataFrameHeader header_;
- AnalysisDataValuesRef values_;
+ //! Helper method for accessing single columns in simple data.
+ const AnalysisDataValue &singleColumnValue(int i) const
+ {
+ GMX_ASSERT(isValid(), "Invalid data frame accessed");
+ GMX_ASSERT(pointSets_.size() == 1U && pointSets_[0].firstColumn() == 0,
+ "Convenience method not available for multiple point sets");
+ GMX_ASSERT(i >= 0 && i < static_cast<int>(values_.size()),
+ "Out of range data access");
+ return values_[i];
+ }
+
+ AnalysisDataFrameHeader header_;
+ AnalysisDataValuesRef values_;
+ AnalysisDataPointSetInfosRef pointSets_;
};
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff