/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014, by the GROMACS development team, led by
+ * Copyright (c) 2014,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
class CorrelationDataSet
{
- double ** tempValues_;
+ double** tempValues_;
- int nrLines_;
- int nrColumns_;
- double startTime_;
- double endTime_;
- double dt_;
+ int nrLines_;
+ int nrColumns_;
+ double startTime_;
+ double endTime_;
+ double dt_;
- public:
+public:
+ /*! \brief
+ * Constructor
+ * \param[in] fileName containing function to test. *.xvg
+ */
+ explicit CorrelationDataSet(const std::string& fileName);
- /*! \brief
- * Constructor
- * \param[in] fileName containing function to test. *.xvg
- */
- explicit CorrelationDataSet(const std::string &fileName);
+ /*! \brief
+ * Return a value at an index
+ * \param[in] set the set number
+ * \param[in] t the time index of the value
+ */
+ real getValue(int set, int t) const;
- /*! \brief
- * Return a value at an index
- * \param[in] set the set number
- * \param[in] t the time index of the value
- */
- real getValue(int set, int t) const;
+ /*! \brief
+ * Return the nummber of columns
+ */
+ int getNrColumns() const { return nrColumns_; }
- /*! \brief
- * Return the nummber of columns
- */
- int getNrColumns() const { return nrColumns_; }
+ /*! \brief
+ * Return the nummber of Lines
+ */
+ int getNrLines() const { return nrLines_; }
- /*! \brief
- * Return the nummber of Lines
- */
- int getNrLines() const { return nrLines_; }
+ /*! \brief
+ * Return the time witch the function starts at
+ */
+ real getStartTime() const { return startTime_; }
- /*! \brief
- * Return the time witch the function starts at
- */
- real getStartTime() const { return startTime_; }
+ /*! \brief
+ * Return the time the function ends at
+ */
+ real getEndTime() const { return endTime_; }
- /*! \brief
- * Return the time the function ends at
- */
- real getEndTime() const { return endTime_; }
+ /*! \brief
+ * return delta time
+ */
+ real getDt() const { return dt_; }
- /*! \brief
- * return delta time
- */
- real getDt() const { return dt_; }
+ /*! \brief
+ * Destructor
+ */
+ ~CorrelationDataSet();
- /*! \brief
- * Destructor
- */
- ~CorrelationDataSet();
-
- private:
- //! This class should not be copyable or assignable
- GMX_DISALLOW_COPY_AND_ASSIGN(CorrelationDataSet);
+private:
+ //! This class should not be copyable or assignable
+ GMX_DISALLOW_COPY_AND_ASSIGN(CorrelationDataSet);
};
#endif