*/
class AnalysisDataValue
{
- public:
- /*! \brief
- * Constructs an unset value.
- */
- AnalysisDataValue() : value_(0.0), error_(0.0) {}
- /*! \brief
- * Constructs a value object with the given value.
- *
- * The constructed object is marked as set and present.
- */
- explicit AnalysisDataValue(real value)
- : value_(value), error_(0.0)
- {
- flags_.set(efSet);
- flags_.set(efPresent);
- }
+public:
+ /*! \brief
+ * Constructs an unset value.
+ */
+ AnalysisDataValue() : value_(0.0), error_(0.0) {}
+ /*! \brief
+ * Constructs a value object with the given value.
+ *
+ * The constructed object is marked as set and present.
+ */
+ explicit AnalysisDataValue(real value) : value_(value), error_(0.0)
+ {
+ flags_.set(efSet);
+ flags_.set(efPresent);
+ }
- /*! \brief
- * Direct access to the value.
- *
- * Assigning a value to this does not mark the value as set; setValue()
- * must be used for this.
- */
- real &value() { return value_; }
- /*! \brief
- * Direct access to the error estimate.
- *
- * Assigning a value to this does not mark the error estimate as set;
- * setValue() must be used for this.
- */
- real &error() { return error_; }
- //! Returns the value for this value.
- real value() const { return value_; }
- //! Returns the error estimate for this value, or zero if not set.
- real error() const { return error_; }
- /*! \brief
- * Returns whether this value has been set.
- *
- * If this method returns false, the return value of value() and
- * error() are undefined.
- */
- bool isSet() const { return flags_.test(efSet); }
- /*! \brief
- * Returns whether the error estimate for this value has been set.
- *
- * If this method returns false, but isSet() returns true, error()
- * returns zero.
- */
- bool hasError() const { return flags_.test(efErrorSet); }
- /*! \brief
- * Returns whether this value has been marked as present.
- *
- * If this method returns false, it is up to the source data to define
- * whether isSet() may return true.
- */
- bool isPresent() const { return flags_.test(efPresent); }
+ /*! \brief
+ * Direct access to the value.
+ *
+ * Assigning a value to this does not mark the value as set; setValue()
+ * must be used for this.
+ */
+ real& value() { return value_; }
+ /*! \brief
+ * Direct access to the error estimate.
+ *
+ * Assigning a value to this does not mark the error estimate as set;
+ * setValue() must be used for this.
+ */
+ real& error() { return error_; }
+ //! Returns the value for this value.
+ real value() const { return value_; }
+ //! Returns the error estimate for this value, or zero if not set.
+ real error() const { return error_; }
+ /*! \brief
+ * Returns whether this value has been set.
+ *
+ * If this method returns false, the return value of value() and
+ * error() are undefined.
+ */
+ bool isSet() const { return flags_.test(efSet); }
+ /*! \brief
+ * Returns whether the error estimate for this value has been set.
+ *
+ * If this method returns false, but isSet() returns true, error()
+ * returns zero.
+ */
+ bool hasError() const { return flags_.test(efErrorSet); }
+ /*! \brief
+ * Returns whether this value has been marked as present.
+ *
+ * If this method returns false, it is up to the source data to define
+ * whether isSet() may return true.
+ */
+ bool isPresent() const { return flags_.test(efPresent); }
- //! Clears and unsets this value.
- void clear()
- {
- *this = AnalysisDataValue();
- }
- //! Sets this value.
- void setValue(real value, bool bPresent = true)
- {
- value_ = value;
- flags_.set(efSet);
- flags_.set(efPresent, bPresent);
- }
- //! Sets this value and its error estimate.
- void setValue(real value, real error, bool bPresent = true)
- {
- value_ = value;
- error_ = error;
- flags_.set(efSet);
- flags_.set(efErrorSet);
- flags_.set(efPresent, bPresent);
- }
- //! Set only error estimate for this value.
- void setError(real error)
- {
- error_ = error;
- flags_.set(efErrorSet);
- }
+ //! Clears and unsets this value.
+ void clear() { *this = AnalysisDataValue(); }
+ //! Sets this value.
+ void setValue(real value, bool bPresent = true)
+ {
+ value_ = value;
+ flags_.set(efSet);
+ flags_.set(efPresent, bPresent);
+ }
+ //! Sets this value and its error estimate.
+ void setValue(real value, real error, bool bPresent = true)
+ {
+ value_ = value;
+ error_ = error;
+ flags_.set(efSet);
+ flags_.set(efErrorSet);
+ flags_.set(efPresent, bPresent);
+ }
+ //! Set only error estimate for this value.
+ void setError(real error)
+ {
+ error_ = error;
+ flags_.set(efErrorSet);
+ }
- private:
- //! Possible flags for \a flags_.
- enum Flag
- {
- efSet = 1<<0, //!< Value has been set.
- efErrorSet = 1<<1, //!< Error estimate has been set.
- efPresent = 1<<2 //!< Value is set as present.
- };
+private:
+ //! Possible flags for \a flags_.
+ enum Flag
+ {
+ efSet = 1 << 0, //!< Value has been set.
+ efErrorSet = 1 << 1, //!< Error estimate has been set.
+ efPresent = 1 << 2 //!< Value is set as present.
+ };
- //! Value for this value.
- real value_;
- //! Error estimate for this value, zero if not set.
- real error_;
- //! Status flags for thise value.
- FlagsTemplate<Flag> flags_;
+ //! Value for this value.
+ real value_;
+ //! Error estimate for this value, zero if not set.
+ real error_;
+ //! Status flags for thise value.
+ FlagsTemplate<Flag> flags_;
};
//! Shorthand for reference to an array of data values.
*/
class AnalysisDataFrameHeader
{
- public:
- /*! \brief
- * Constructs an invalid frame header.
- *
- * Return values of other methods than isValid() are unspecified for
- * the constructed object.
- */
- AnalysisDataFrameHeader();
- /*! \brief
- * Constructs a frame header from given values.
- *
- * \param[in] index Index of the frame. Must be >= 0.
- * \param[in] x x coordinate for the frame.
- * \param[in] dx Error estimate for x.
- */
- AnalysisDataFrameHeader(int index, real x, real dx);
+public:
+ /*! \brief
+ * Constructs an invalid frame header.
+ *
+ * Return values of other methods than isValid() are unspecified for
+ * the constructed object.
+ */
+ AnalysisDataFrameHeader();
+ /*! \brief
+ * Constructs a frame header from given values.
+ *
+ * \param[in] index Index of the frame. Must be >= 0.
+ * \param[in] x x coordinate for the frame.
+ * \param[in] dx Error estimate for x.
+ */
+ AnalysisDataFrameHeader(int index, real x, real dx);
- /*! \brief
- * Returns whether the frame header corresponds to a valid frame.
- *
- * If returns false, return values of other methods are not specified.
- */
- bool isValid() const
- {
- return index_ >= 0;
- }
- /*! \brief
- * Returns zero-based index of the frame.
- *
- * The return value is >= 0 for valid frames.
- * Should not be called for invalid frames.
- */
- int index() const
- {
- GMX_ASSERT(isValid(), "Tried to access invalid frame header");
- return index_;
- }
- /*! \brief
- * Returns the x coordinate for the frame.
- *
- * Should not be called for invalid frames.
- */
- real x() const
- {
- GMX_ASSERT(isValid(), "Tried to access invalid frame header");
- return x_;
- }
- /*! \brief
- * Returns error in the x coordinate for the frame (if applicable).
- *
- * All data do not provide error estimates.
- * Typically returns zero in those cases.
- *
- * Should not be called for invalid frames.
- */
- real dx() const
- {
- GMX_ASSERT(isValid(), "Tried to access invalid frame header");
- return dx_;
- }
+ /*! \brief
+ * Returns whether the frame header corresponds to a valid frame.
+ *
+ * If returns false, return values of other methods are not specified.
+ */
+ bool isValid() const { return index_ >= 0; }
+ /*! \brief
+ * Returns zero-based index of the frame.
+ *
+ * The return value is >= 0 for valid frames.
+ * Should not be called for invalid frames.
+ */
+ int index() const
+ {
+ GMX_ASSERT(isValid(), "Tried to access invalid frame header");
+ return index_;
+ }
+ /*! \brief
+ * Returns the x coordinate for the frame.
+ *
+ * Should not be called for invalid frames.
+ */
+ real x() const
+ {
+ GMX_ASSERT(isValid(), "Tried to access invalid frame header");
+ return x_;
+ }
+ /*! \brief
+ * Returns error in the x coordinate for the frame (if applicable).
+ *
+ * All data do not provide error estimates.
+ * Typically returns zero in those cases.
+ *
+ * Should not be called for invalid frames.
+ */
+ real dx() const
+ {
+ GMX_ASSERT(isValid(), "Tried to access invalid frame header");
+ return dx_;
+ }
- private:
- int index_;
- real x_;
- real dx_;
+private:
+ int index_;
+ real x_;
+ real dx_;
};
*/
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");
- }
+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_; }
+ //! 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_;
+private:
+ int valueOffset_;
+ int valueCount_;
+ int dataSetIndex_;
+ int firstColumn_;
};
//! Shorthand for reference to an array of point set data objects.
*/
class AnalysisDataPointSetRef
{
- public:
- /*! \brief
- * Constructs a point set reference from given values.
- *
- * \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 of the point set should be found from \p values
- * using the offset in \p pointSetInfo.
- */
- AnalysisDataPointSetRef(const AnalysisDataFrameHeader &header,
- const AnalysisDataPointSetInfo &pointSetInfo,
- const AnalysisDataValuesRef &values);
- /*! \brief
- * Constructs a point set reference from given values.
- *
- * \param[in] header Header for the frame.
- * \param[in] values Values for each column.
- *
- * The first element in \p values should correspond to the first
- * column.
- */
- AnalysisDataPointSetRef(const AnalysisDataFrameHeader &header,
- const std::vector<AnalysisDataValue> &values);
- /*! \brief
- * Constructs a point set reference to a subset of columns.
- *
- * \param[in] points Point set to use as source.
- * \param[in] firstColumn First column index to include.
- * \param[in] columnCount Number of columns to include.
- *
- * Creates a point set that contains \p columnCount columns starting
- * from \p firstColumn from \p points, or a subset if all requested
- * columns are not present in \p points. If the requested column range
- * and the range in \p points do not intersect, the result has
- * columnCount() == 0.
- *
- * \p firstColumn is relative to the whole data set, i.e., not relative
- * to points.firstColumn().
- *
- * Mainly intended for internal use.
- */
- AnalysisDataPointSetRef(const AnalysisDataPointSetRef &points,
- int firstColumn, int columnCount);
+public:
+ /*! \brief
+ * Constructs a point set reference from given values.
+ *
+ * \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 of the point set should be found from \p values
+ * using the offset in \p pointSetInfo.
+ */
+ AnalysisDataPointSetRef(const AnalysisDataFrameHeader& header,
+ const AnalysisDataPointSetInfo& pointSetInfo,
+ const AnalysisDataValuesRef& values);
+ /*! \brief
+ * Constructs a point set reference from given values.
+ *
+ * \param[in] header Header for the frame.
+ * \param[in] values Values for each column.
+ *
+ * The first element in \p values should correspond to the first
+ * column.
+ */
+ AnalysisDataPointSetRef(const AnalysisDataFrameHeader& header,
+ const std::vector<AnalysisDataValue>& values);
+ /*! \brief
+ * Constructs a point set reference to a subset of columns.
+ *
+ * \param[in] points Point set to use as source.
+ * \param[in] firstColumn First column index to include.
+ * \param[in] columnCount Number of columns to include.
+ *
+ * Creates a point set that contains \p columnCount columns starting
+ * from \p firstColumn from \p points, or a subset if all requested
+ * columns are not present in \p points. If the requested column range
+ * and the range in \p points do not intersect, the result has
+ * columnCount() == 0.
+ *
+ * \p firstColumn is relative to the whole data set, i.e., not relative
+ * to points.firstColumn().
+ *
+ * Mainly intended for internal use.
+ */
+ AnalysisDataPointSetRef(const AnalysisDataPointSetRef& points, int firstColumn, int columnCount);
- /*! \brief
- * Returns the frame header for the frame of this point set.
- */
- const AnalysisDataFrameHeader &header() const
- {
- return header_;
- }
- //! \copydoc AnalysisDataFrameHeader::index()
- int frameIndex() const
- {
- return header_.index();
- }
- //! \copydoc AnalysisDataFrameHeader::x()
- real x() const
- {
- return header_.x();
- }
- //! \copydoc AnalysisDataFrameHeader::dx()
- real dx() const
- {
- 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
- {
- return firstColumn_;
- }
- //! Returns the number of columns included in this set.
- int columnCount() const
- {
- return ssize(values());
- }
- //! Returns zero-based index of the last column included in this set (inclusive).
- int lastColumn() const
- {
- return firstColumn_ + columnCount() - 1;
- }
- /*! \brief
- * Returns reference container for all values.
- *
- * First value in the returned container corresponds to firstColumn().
- */
- const AnalysisDataValuesRef &values() const
- {
- return values_;
- }
- /*! \brief
- * Returns data value for a column in this set.
- *
- * \param[in] i Zero-based column index relative to firstColumn().
- * Should be >= 0 and < columnCount().
- */
- real y(int i) const
- {
- GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
- return values()[i].value();
- }
- /*! \brief
- * Returns error estimate for a column in this set if applicable.
- *
- * \param[in] i Zero-based column index relative to firstColumn().
- * Should be >= 0 and < columnCount().
- *
- * Currently, this method returns zero if the source data does not
- * specify errors.
- */
- real dy(int i) const
- {
- GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
- return values()[i].error();
- }
- /*! \brief
- * Returns whether a column is present in this set.
- *
- * \param[in] i Zero-based column index relative to firstColumn().
- * Should be >= 0 and < columnCount().
- *
- * If present(i) returns false, it is depends on the source data
- * whether y(i) and/or dy(i) are defined.
- */
- bool present(int i) const
- {
- GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
- return values()[i].isPresent();
- }
- /*! \brief
- * Returns true if all points in this point set are present.
- *
- * That is, if present() would return true for all points.
- */
- bool allPresent() const;
+ /*! \brief
+ * Returns the frame header for the frame of this point set.
+ */
+ const AnalysisDataFrameHeader& header() const { return header_; }
+ //! \copydoc AnalysisDataFrameHeader::index()
+ int frameIndex() const { return header_.index(); }
+ //! \copydoc AnalysisDataFrameHeader::x()
+ real x() const { return header_.x(); }
+ //! \copydoc AnalysisDataFrameHeader::dx()
+ real dx() const { 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 { return firstColumn_; }
+ //! Returns the number of columns included in this set.
+ int columnCount() const { return ssize(values()); }
+ //! Returns zero-based index of the last column included in this set (inclusive).
+ int lastColumn() const { return firstColumn_ + columnCount() - 1; }
+ /*! \brief
+ * Returns reference container for all values.
+ *
+ * First value in the returned container corresponds to firstColumn().
+ */
+ const AnalysisDataValuesRef& values() const { return values_; }
+ /*! \brief
+ * Returns data value for a column in this set.
+ *
+ * \param[in] i Zero-based column index relative to firstColumn().
+ * Should be >= 0 and < columnCount().
+ */
+ real y(int i) const
+ {
+ GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
+ return values()[i].value();
+ }
+ /*! \brief
+ * Returns error estimate for a column in this set if applicable.
+ *
+ * \param[in] i Zero-based column index relative to firstColumn().
+ * Should be >= 0 and < columnCount().
+ *
+ * Currently, this method returns zero if the source data does not
+ * specify errors.
+ */
+ real dy(int i) const
+ {
+ GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
+ return values()[i].error();
+ }
+ /*! \brief
+ * Returns whether a column is present in this set.
+ *
+ * \param[in] i Zero-based column index relative to firstColumn().
+ * Should be >= 0 and < columnCount().
+ *
+ * If present(i) returns false, it is depends on the source data
+ * whether y(i) and/or dy(i) are defined.
+ */
+ bool present(int i) const
+ {
+ GMX_ASSERT(i >= 0 && i < columnCount(), "Out of range data access");
+ return values()[i].isPresent();
+ }
+ /*! \brief
+ * Returns true if all points in this point set are present.
+ *
+ * That is, if present() would return true for all points.
+ */
+ bool allPresent() const;
- private:
- AnalysisDataFrameHeader header_;
- int dataSetIndex_;
- int firstColumn_;
- AnalysisDataValuesRef values_;
+private:
+ AnalysisDataFrameHeader header_;
+ int dataSetIndex_;
+ int firstColumn_;
+ AnalysisDataValuesRef values_;
};
*/
class AnalysisDataFrameRef
{
- public:
- /*! \brief
- * Constructs an invalid frame reference.
- *
- * Return values of other methods than isValid() are unspecified for
- * the constructed object.
- */
- AnalysisDataFrameRef();
- /*! \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 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,
- const std::vector<AnalysisDataPointSetInfo> &pointSets);
- /*! \brief
- * Constructs a frame reference to a subset of columns.
- *
- * \param[in] frame Frame to use as source.
- * \param[in] firstColumn First column index to include.
- * \param[in] columnCount Number of columns to include.
- *
- * Creates a frame reference that contains \p columnCount columns
- * starting from \p firstColumn from \p frame, or a subset if all
- * requested columns are not present in \p frame.
- *
- * Mainly intended for internal use.
- */
- AnalysisDataFrameRef(const AnalysisDataFrameRef &frame,
- int firstColumn, int columnCount);
+public:
+ /*! \brief
+ * Constructs an invalid frame reference.
+ *
+ * Return values of other methods than isValid() are unspecified for
+ * the constructed object.
+ */
+ AnalysisDataFrameRef();
+ /*! \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 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,
+ const std::vector<AnalysisDataPointSetInfo>& pointSets);
+ /*! \brief
+ * Constructs a frame reference to a subset of columns.
+ *
+ * \param[in] frame Frame to use as source.
+ * \param[in] firstColumn First column index to include.
+ * \param[in] columnCount Number of columns to include.
+ *
+ * Creates a frame reference that contains \p columnCount columns
+ * starting from \p firstColumn from \p frame, or a subset if all
+ * requested columns are not present in \p frame.
+ *
+ * Mainly intended for internal use.
+ */
+ AnalysisDataFrameRef(const AnalysisDataFrameRef& frame, int firstColumn, int columnCount);
- /*! \brief
- * Returns whether the object refers to a valid frame.
- *
- * If returns false, return values of other methods are not specified.
- */
- bool isValid() const
- {
- return header().isValid();
- }
- //! Returns the header for this frame.
- const AnalysisDataFrameHeader &header() const
- {
- return header_;
- }
- //! \copydoc AnalysisDataFrameHeader::index()
- int frameIndex() const
- {
- return header().index();
- }
- //! \copydoc AnalysisDataFrameHeader::x()
- real x() const
- {
- return header().x();
- }
- //! \copydoc AnalysisDataFrameHeader::dx()
- real dx() const
- {
- return header().dx();
- }
- /*! \brief
- * Returns the number of point sets for this frame.
- *
- * Returns zero for an invalid frame.
- */
- int pointSetCount() const
- {
- return ssize(pointSets_);
- }
- /*! \brief
- * Returns point set reference for a given point set.
- *
- * Should not be called for invalid frames.
- */
- AnalysisDataPointSetRef pointSet(int index) const
- {
- 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 in simple data.
- *
- * \copydetails AnalysisDataPointSetRef::y()
- */
- real y(int i) const
- {
- return singleColumnValue(i).value();
- }
- /*! \brief
- * Convenience method for accessing error for a column value in simple
- * data.
- *
- * \copydetails AnalysisDataPointSetRef::dy()
- */
- real dy(int i) const
- {
- return singleColumnValue(i).error();
- }
- /*! \brief
- * Convenience method for accessing present status for a column in
- * simple data.
- *
- * \copydetails AnalysisDataPointSetRef::present()
- */
- bool present(int i) const
- {
- return singleColumnValue(i).isPresent();
- }
- /*! \brief
- * Returns true if all points in this frame are present.
- */
- bool allPresent() const;
+ /*! \brief
+ * Returns whether the object refers to a valid frame.
+ *
+ * If returns false, return values of other methods are not specified.
+ */
+ bool isValid() const { return header().isValid(); }
+ //! Returns the header for this frame.
+ const AnalysisDataFrameHeader& header() const { return header_; }
+ //! \copydoc AnalysisDataFrameHeader::index()
+ int frameIndex() const { return header().index(); }
+ //! \copydoc AnalysisDataFrameHeader::x()
+ real x() const { return header().x(); }
+ //! \copydoc AnalysisDataFrameHeader::dx()
+ real dx() const { return header().dx(); }
+ /*! \brief
+ * Returns the number of point sets for this frame.
+ *
+ * Returns zero for an invalid frame.
+ */
+ int pointSetCount() const { return ssize(pointSets_); }
+ /*! \brief
+ * Returns point set reference for a given point set.
+ *
+ * Should not be called for invalid frames.
+ */
+ AnalysisDataPointSetRef pointSet(int index) const
+ {
+ 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 in simple data.
+ *
+ * \copydetails AnalysisDataPointSetRef::y()
+ */
+ real y(int i) const { return singleColumnValue(i).value(); }
+ /*! \brief
+ * Convenience method for accessing error for a column value in simple
+ * data.
+ *
+ * \copydetails AnalysisDataPointSetRef::dy()
+ */
+ real dy(int i) const { return singleColumnValue(i).error(); }
+ /*! \brief
+ * Convenience method for accessing present status for a column in
+ * simple data.
+ *
+ * \copydetails AnalysisDataPointSetRef::present()
+ */
+ bool present(int i) const { return singleColumnValue(i).isPresent(); }
+ /*! \brief
+ * Returns true if all points in this frame are present.
+ */
+ bool allPresent() const;
- private:
- //! 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 < ssize(values_),
- "Out of range data access");
- return values_[i];
- }
+private:
+ //! 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 < ssize(values_), "Out of range data access");
+ return values_[i];
+ }
- AnalysisDataFrameHeader header_;
- AnalysisDataValuesRef values_;
- AnalysisDataPointSetInfosRef pointSets_;
+ AnalysisDataFrameHeader header_;
+ AnalysisDataValuesRef values_;
+ AnalysisDataPointSetInfosRef pointSets_;
};
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff