/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013,2014,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2013,2014,2018,2019, 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 AbstractAnalysisArrayData : public AbstractAnalysisData
{
- public:
- ~AbstractAnalysisArrayData() override;
+public:
+ ~AbstractAnalysisArrayData() override;
- int frameCount() const override
- {
- return bReady_ ? rowCount_ : 0;
- }
+ int frameCount() const override { return bReady_ ? rowCount_ : 0; }
- /*! \brief
- * Returns the number of rows in the data array.
- *
- * This function is identical to frameCount(), except that frameCount()
- * returns 0 before valuesReady() has been called.
- */
- int rowCount() const { return rowCount_; }
- //! Returns true if values have been allocated.
- bool isAllocated() const { return !value_.empty(); }
- //! Returns the x value of the first frame.
- real xstart() const { return xvalue_[0]; }
- //! Returns the step between frame x values.
- real xstep() const
- {
- GMX_ASSERT(bUniformX_, "Accessing x step for non-uniform data");
- return xstep_;
- }
- //! Returns the x value of a row.
- real xvalue(int row) const
- {
- GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
- return xvalue_[row];
- }
- //! Returns a given array element.
- const AnalysisDataValue &value(int row, int col) const
- {
- GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
- GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
- GMX_ASSERT(isAllocated(), "Data array not allocated");
- return value_[row * columnCount() + col];
- }
+ /*! \brief
+ * Returns the number of rows in the data array.
+ *
+ * This function is identical to frameCount(), except that frameCount()
+ * returns 0 before valuesReady() has been called.
+ */
+ int rowCount() const { return rowCount_; }
+ //! Returns true if values have been allocated.
+ bool isAllocated() const { return !value_.empty(); }
+ //! Returns the x value of the first frame.
+ real xstart() const { return xvalue_[0]; }
+ //! Returns the step between frame x values.
+ real xstep() const
+ {
+ GMX_ASSERT(bUniformX_, "Accessing x step for non-uniform data");
+ return xstep_;
+ }
+ //! Returns the x value of a row.
+ real xvalue(int row) const
+ {
+ GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
+ return xvalue_[row];
+ }
+ //! Returns a given array element.
+ const AnalysisDataValue& value(int row, int col) const
+ {
+ GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
+ GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
+ GMX_ASSERT(isAllocated(), "Data array not allocated");
+ return value_[row * columnCount() + col];
+ }
- protected:
- /*! \brief
- * Initializes an empty array data object.
- *
- * \throws std::bad_alloc if out of memory.
- */
- AbstractAnalysisArrayData();
+protected:
+ /*! \brief
+ * Initializes an empty array data object.
+ *
+ * \throws std::bad_alloc if out of memory.
+ */
+ AbstractAnalysisArrayData();
- /*! \brief
- * Sets the number of columns in the data array.
- *
- * \param[in] ncols Number of columns in the data.
- *
- * Cannot be called after allocateValues().
- *
- * See AbstractAnalysisData::setColumnCount() for exception behavior.
- */
- void setColumnCount(int ncols);
- /*! \brief
- * Sets the number of rows in the data array.
- *
- * \param[in] rowCount Number of rows in the data.
- *
- * Cannot be called after allocateValues().
- *
- * Does not throw.
- */
- void setRowCount(int rowCount);
- /*! \brief
- * Allocates memory for the values.
- *
- * \throws std::bad_alloc if memory allocation fails.
- *
- * setColumnCount() and setRowCount() must have been called.
- *
- * Strong exception safety guarantee.
- */
- void allocateValues();
- /*! \brief
- * Sets the values reported as x values for frames.
- *
- * \param[in] start x value for the first frame.
- * \param[in] step Step between x values of successive frames.
- *
- * Must not be called after valuesReady().
- * Any values set with setXAxisValue() are overwritten.
- *
- * Does not throw.
- */
- void setXAxis(real start, real step);
- /*! \brief
- * Sets a single value reported as x value for frames.
- *
- * \param[in] row Row/frame for which to set the value.
- * \param[in] value x value for the frame specified by \p row.
- *
- * Must not be called after valuesReady().
- *
- * Does not throw.
- */
- void setXAxisValue(int row, real value);
- //! Returns a reference to a given array element.
- AnalysisDataValue &value(int row, int col)
- {
- GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
- GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
- GMX_ASSERT(isAllocated(), "Data array not allocated");
- return value_[row * columnCount() + col];
- }
- /*! \brief
- * Notifies modules of the data.
- *
- * \throws unspecified Any exception thrown by attached data modules
- * in data notification methods.
- *
- * This function should be called once the values in the array
- * have been initialized. The values should not be changed after this
- * function has been called.
- */
- void valuesReady();
+ /*! \brief
+ * Sets the number of columns in the data array.
+ *
+ * \param[in] ncols Number of columns in the data.
+ *
+ * Cannot be called after allocateValues().
+ *
+ * See AbstractAnalysisData::setColumnCount() for exception behavior.
+ */
+ void setColumnCount(int ncols);
+ /*! \brief
+ * Sets the number of rows in the data array.
+ *
+ * \param[in] rowCount Number of rows in the data.
+ *
+ * Cannot be called after allocateValues().
+ *
+ * Does not throw.
+ */
+ void setRowCount(int rowCount);
+ /*! \brief
+ * Allocates memory for the values.
+ *
+ * \throws std::bad_alloc if memory allocation fails.
+ *
+ * setColumnCount() and setRowCount() must have been called.
+ *
+ * Strong exception safety guarantee.
+ */
+ void allocateValues();
+ /*! \brief
+ * Sets the values reported as x values for frames.
+ *
+ * \param[in] start x value for the first frame.
+ * \param[in] step Step between x values of successive frames.
+ *
+ * Must not be called after valuesReady().
+ * Any values set with setXAxisValue() are overwritten.
+ *
+ * Does not throw.
+ */
+ void setXAxis(real start, real step);
+ /*! \brief
+ * Sets a single value reported as x value for frames.
+ *
+ * \param[in] row Row/frame for which to set the value.
+ * \param[in] value x value for the frame specified by \p row.
+ *
+ * Must not be called after valuesReady().
+ *
+ * Does not throw.
+ */
+ void setXAxisValue(int row, real value);
+ //! Returns a reference to a given array element.
+ AnalysisDataValue& value(int row, int col)
+ {
+ GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
+ GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
+ GMX_ASSERT(isAllocated(), "Data array not allocated");
+ return value_[row * columnCount() + col];
+ }
+ /*! \brief
+ * Notifies modules of the data.
+ *
+ * \throws unspecified Any exception thrown by attached data modules
+ * in data notification methods.
+ *
+ * This function should be called once the values in the array
+ * have been initialized. The values should not be changed after this
+ * function has been called.
+ */
+ void valuesReady();
- /*! \brief
- * Copies the contents into a new object.
- *
- * \param[in] src Object to copy data from.
- * \param[in,out] dest Empty array data object to copy data to.
- * \throws std::bad_alloc if memory allocation for \p dest fails.
- *
- * \p dest should not have previous contents.
- */
- static void copyContents(const AbstractAnalysisArrayData *src,
- AbstractAnalysisArrayData *dest);
+ /*! \brief
+ * Copies the contents into a new object.
+ *
+ * \param[in] src Object to copy data from.
+ * \param[in,out] dest Empty array data object to copy data to.
+ * \throws std::bad_alloc if memory allocation for \p dest fails.
+ *
+ * \p dest should not have previous contents.
+ */
+ static void copyContents(const AbstractAnalysisArrayData* src, AbstractAnalysisArrayData* dest);
- private:
- AnalysisDataFrameRef tryGetDataFrameInternal(int index) const override;
- bool requestStorageInternal(int nframes) override;
+private:
+ AnalysisDataFrameRef tryGetDataFrameInternal(int index) const override;
+ bool requestStorageInternal(int nframes) override;
- int rowCount_;
- AnalysisDataPointSetInfo pointSetInfo_;
-
std::vector<AnalysisDataValue> value_;
- std::vector<real> xvalue_;
- real xstep_;
- bool bUniformX_;
- bool bReady_;
+ int rowCount_;
+ AnalysisDataPointSetInfo pointSetInfo_;
+ std::vector<AnalysisDataValue> value_;
+ std::vector<real> xvalue_;
+ real xstep_;
+ bool bUniformX_;
+ bool bReady_;
- // Copy and assign disallowed by base.
+ // Copy and assign disallowed by base.
};
/*! \brief
*/
class AnalysisArrayData : public AbstractAnalysisArrayData
{
- public:
- /*! \brief
- * Initializes an empty array data object.
- *
- * \throws std::bad_alloc if out of memory.
- */
- AnalysisArrayData() {}
+public:
+ /*! \brief
+ * Initializes an empty array data object.
+ *
+ * \throws std::bad_alloc if out of memory.
+ */
+ AnalysisArrayData() {}
- // TODO: These statements cause Doxygen to generate confusing
- // documentation.
- using AbstractAnalysisArrayData::setColumnCount;
- using AbstractAnalysisArrayData::setRowCount;
- using AbstractAnalysisArrayData::allocateValues;
- using AbstractAnalysisArrayData::setXAxis;
- using AbstractAnalysisArrayData::setXAxisValue;
- using AbstractAnalysisArrayData::value;
- using AbstractAnalysisArrayData::valuesReady;
+ // TODO: These statements cause Doxygen to generate confusing
+ // documentation.
+ using AbstractAnalysisArrayData::allocateValues;
+ using AbstractAnalysisArrayData::setColumnCount;
+ using AbstractAnalysisArrayData::setRowCount;
+ using AbstractAnalysisArrayData::setXAxis;
+ using AbstractAnalysisArrayData::setXAxisValue;
+ using AbstractAnalysisArrayData::value;
+ using AbstractAnalysisArrayData::valuesReady;
- // Copy and assign disallowed by base.
+ // Copy and assign disallowed by base.
};
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff