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37 * Declares gmx::AbstractAnalysisArrayData and gmx::AnalysisArrayData.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_analysisdata
43 #ifndef GMX_ANALYSISDATA_ARRAYDATA_H
44 #define GMX_ANALYSISDATA_ARRAYDATA_H
48 #include "../utility/gmxassert.h"
50 #include "abstractdata.h"
51 #include "dataframe.h"
57 * Abstract base class for data objects that present in-memory data.
59 * This class implements a subclass of AbstractAnalysisData that presents an
60 * in-memory array through the AbstractAnalysisData interface. Subclasses
61 * should initialize the in-memory array through the provided protected member
62 * functions. This class provides public accessor methods for read access to
65 * Public accessor methods in this class do not throw, but assert if data is
66 * accessed before it is available.
69 * Add support for multiple data sets.
72 * \ingroup module_analysisdata
74 class AbstractAnalysisArrayData : public AbstractAnalysisData
77 virtual ~AbstractAnalysisArrayData();
79 virtual int frameCount() const
81 return bReady_ ? rowCount_ : 0;
85 * Returns the number of rows in the data array.
87 * This function is identical to frameCount(), except that frameCount()
88 * returns 0 before valuesReady() has been called.
90 int rowCount() const { return rowCount_; }
91 //! Returns true if values have been allocated.
92 bool isAllocated() const { return !value_.empty(); }
93 //! Returns the x value of the first frame.
94 real xstart() const { return xstart_; }
95 //! Returns the step between frame x values.
96 real xstep() const { return xstep_; }
97 //! Returns the x value of a row.
98 real xvalue(int row) const
100 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
101 return xstart() + row * xstep();
103 //! Returns a given array element.
104 const AnalysisDataValue &value(int row, int col) const
106 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
107 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
108 GMX_ASSERT(isAllocated(), "Data array not allocated");
109 return value_[row * columnCount() + col];
114 * Initializes an empty array data object.
116 * \throws std::bad_alloc if out of memory.
118 AbstractAnalysisArrayData();
121 * Sets the number of columns in the data array.
123 * \param[in] ncols Number of columns in the data.
125 * Cannot be called after allocateValues().
127 * See AbstractAnalysisData::setColumnCount() for exception behavior.
129 void setColumnCount(int ncols);
131 * Sets the number of rows in the data array.
133 * \param[in] rowCount Number of rows in the data.
135 * Cannot be called after allocateValues().
139 void setRowCount(int rowCount);
141 * Allocates memory for the values.
143 * \throws std::bad_alloc if memory allocation fails.
145 * setColumnCount() and setRowCount() must have been called.
147 * Strong exception safety guarantee.
149 void allocateValues();
151 * Sets the values reported as x values for frames.
153 * \param[in] start x value for the first frame.
154 * \param[in] step Step between x values of successive frames.
156 * Must not be called after valuesReady().
160 void setXAxis(real start, real step);
161 //! Returns a reference to a given array element.
162 AnalysisDataValue &value(int row, int col)
164 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
165 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
166 GMX_ASSERT(isAllocated(), "Data array not allocated");
167 return value_[row * columnCount() + col];
170 * Notifies modules of the data.
172 * \throws unspecified Any exception thrown by attached data modules
173 * in data notification methods.
175 * This function should be called once the values in the array
176 * have been initialized. The values should not be changed after this
177 * function has been called.
182 * Copies the contents into a new object.
184 * \param[in] src Object to copy data from.
185 * \param[in,out] dest Empty array data object to copy data to.
186 * \throws std::bad_alloc if memory allocation for \p dest fails.
188 * \p dest should not have previous contents.
190 static void copyContents(const AbstractAnalysisArrayData *src,
191 AbstractAnalysisArrayData *dest);
194 virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
195 virtual bool requestStorageInternal(int nframes);
198 AnalysisDataPointSetInfo pointSetInfo_;
199 std::vector<AnalysisDataValue> value_;
204 // Copy and assign disallowed by base.
208 * Simple in-memory data array.
210 * This class is a simple alternative to AnalysisData for in-memory data arrays
211 * that are constructed in-place.
213 * Public accessor methods in this class do not throw, but assert if data is
214 * accessed before it is available.
217 * This class exposes the protected functions of AbstractAnalysisArrayData for
222 * \ingroup module_analysisdata
224 class AnalysisArrayData : public AbstractAnalysisArrayData
228 * Initializes an empty array data object.
230 * \throws std::bad_alloc if out of memory.
232 AnalysisArrayData() {}
234 // TODO: These statements cause Doxygen to generate confusing
236 using AbstractAnalysisArrayData::setColumnCount;
237 using AbstractAnalysisArrayData::setRowCount;
238 using AbstractAnalysisArrayData::allocateValues;
239 using AbstractAnalysisArrayData::setXAxis;
240 using AbstractAnalysisArrayData::value;
241 using AbstractAnalysisArrayData::valuesReady;
243 // Copy and assign disallowed by base.