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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 xvalue_[0]; }
95 //! Returns the step between frame x values.
98 GMX_ASSERT(bUniformX_, "Accessing x step for non-uniform data");
101 //! Returns the x value of a row.
102 real xvalue(int row) const
104 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
107 //! Returns a given array element.
108 const AnalysisDataValue &value(int row, int col) const
110 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
111 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
112 GMX_ASSERT(isAllocated(), "Data array not allocated");
113 return value_[row * columnCount() + col];
118 * Initializes an empty array data object.
120 * \throws std::bad_alloc if out of memory.
122 AbstractAnalysisArrayData();
125 * Sets the number of columns in the data array.
127 * \param[in] ncols Number of columns in the data.
129 * Cannot be called after allocateValues().
131 * See AbstractAnalysisData::setColumnCount() for exception behavior.
133 void setColumnCount(int ncols);
135 * Sets the number of rows in the data array.
137 * \param[in] rowCount Number of rows in the data.
139 * Cannot be called after allocateValues().
143 void setRowCount(int rowCount);
145 * Allocates memory for the values.
147 * \throws std::bad_alloc if memory allocation fails.
149 * setColumnCount() and setRowCount() must have been called.
151 * Strong exception safety guarantee.
153 void allocateValues();
155 * Sets the values reported as x values for frames.
157 * \param[in] start x value for the first frame.
158 * \param[in] step Step between x values of successive frames.
160 * Must not be called after valuesReady().
161 * Any values set with setXAxisValue() are overwritten.
165 void setXAxis(real start, real step);
167 * Sets a single value reported as x value for frames.
169 * \param[in] row Row/frame for which to set the value.
170 * \param[in] value x value for the frame specified by \p row.
172 * Must not be called after valuesReady().
176 void setXAxisValue(int row, real value);
177 //! Returns a reference to a given array element.
178 AnalysisDataValue &value(int row, int col)
180 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
181 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
182 GMX_ASSERT(isAllocated(), "Data array not allocated");
183 return value_[row * columnCount() + col];
186 * Notifies modules of the data.
188 * \throws unspecified Any exception thrown by attached data modules
189 * in data notification methods.
191 * This function should be called once the values in the array
192 * have been initialized. The values should not be changed after this
193 * function has been called.
198 * Copies the contents into a new object.
200 * \param[in] src Object to copy data from.
201 * \param[in,out] dest Empty array data object to copy data to.
202 * \throws std::bad_alloc if memory allocation for \p dest fails.
204 * \p dest should not have previous contents.
206 static void copyContents(const AbstractAnalysisArrayData *src,
207 AbstractAnalysisArrayData *dest);
210 virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
211 virtual bool requestStorageInternal(int nframes);
214 AnalysisDataPointSetInfo pointSetInfo_;
215 std::vector<AnalysisDataValue> value_;
216 std::vector<real> xvalue_;
221 // Copy and assign disallowed by base.
225 * Simple in-memory data array.
227 * This class is a simple alternative to AnalysisData for in-memory data arrays
228 * that are constructed in-place.
230 * Public accessor methods in this class do not throw, but assert if data is
231 * accessed before it is available.
234 * This class exposes the protected functions of AbstractAnalysisArrayData for
239 * \ingroup module_analysisdata
241 class AnalysisArrayData : public AbstractAnalysisArrayData
245 * Initializes an empty array data object.
247 * \throws std::bad_alloc if out of memory.
249 AnalysisArrayData() {}
251 // TODO: These statements cause Doxygen to generate confusing
253 using AbstractAnalysisArrayData::setColumnCount;
254 using AbstractAnalysisArrayData::setRowCount;
255 using AbstractAnalysisArrayData::allocateValues;
256 using AbstractAnalysisArrayData::setXAxis;
257 using AbstractAnalysisArrayData::setXAxisValue;
258 using AbstractAnalysisArrayData::value;
259 using AbstractAnalysisArrayData::valuesReady;
261 // Copy and assign disallowed by base.