/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2016,2018,2019, 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.
//! Convenience smart pointer typedef
typedef unique_cptr<t_trxstatus, close_trx> trxstatus_file_ptr;
//! Helper function to free all resources
-void done_trxframe(t_trxframe *fr);
+void done_trxframe(t_trxframe* fr);
//! Convenience smart pointer typedef
typedef unique_cptr<t_trxframe, done_trxframe> trxframe_ptr;
* successive frames of an trajectory file. */
class TrajectoryFrameReader
{
- public:
- /*! \brief Attempt to read the next frame from the trajectory file.
- *
- * \return Whether a frame was available to read.
- *
- * This call wraps the read_first_frame()/read_next_frame()
- * API, which does the file opening as a side effect of
- * reading the first frame.
- *
- * If true is returned, then TrajectoryFrame frame() should be called
- * to get access to the data. If false is returned, then no
- * further data exists and no further call to
- * readNextFrameStub or TrajectoryFrame frame() should occur.
- *
- * \throws FileIOError upon reading the first frame, if the trajectory file cannot be opened
- * \throws APIError if an earlier probe has not been properly handled
- * (by calling frame(), or stopping trying to read
- * from the file). */
- bool readNextFrame();
- /*! \brief Return the next frame from the trajectory file.
- *
- * If the next frame has not been probed for, then probe for
- * it. If no next frame exists, then throw APIError, because
- * user code should have called readNextFrameStub itself if this
- * is possible. (This permits user code to avoid making calls
- * to readNextFrameStub in a case where it already knows that
- * the frame exists.)
- *
- * \throws APIError if no next frame exists, or if it lacks either time or step number. */
- TrajectoryFrame frame();
- /*! \brief Constructor
- *
- * \param[in] filename Name of trajectory file to open and read. */
- explicit TrajectoryFrameReader(const std::string &filename);
- private:
- //! Name of trajectory file to open and read
- std::string filename_;
- //! Owning handle of output environment object
- oenv_ptr oenvGuard_;
- //! Owning handle of an open trajectory file ready to read frames.
- trxstatus_file_ptr trajectoryFileGuard_;
- //! Owning handle of contents of trajectory file frame after reading.
- const trxframe_ptr trxframeGuard_;
- //! Whether the first frame has been read
- bool haveReadFirstFrame_;
- //! Whether the API has been used properly (ie. probe before reading).
- bool haveProbedForNextFrame_;
- //! Whether there has been a probe that found a next frame.
- bool nextFrameExists_;
+public:
+ /*! \brief Attempt to read the next frame from the trajectory file.
+ *
+ * \return Whether a frame was available to read.
+ *
+ * This call wraps the read_first_frame()/read_next_frame()
+ * API, which does the file opening as a side effect of
+ * reading the first frame.
+ *
+ * If true is returned, then TrajectoryFrame frame() should be called
+ * to get access to the data. If false is returned, then no
+ * further data exists and no further call to
+ * readNextFrameStub or TrajectoryFrame frame() should occur.
+ *
+ * \throws FileIOError upon reading the first frame, if the trajectory file cannot be opened
+ * \throws APIError if an earlier probe has not been properly handled
+ * (by calling frame(), or stopping trying to read
+ * from the file). */
+ bool readNextFrame();
+ /*! \brief Return the next frame from the trajectory file.
+ *
+ * If the next frame has not been probed for, then probe for
+ * it. If no next frame exists, then throw APIError, because
+ * user code should have called readNextFrameStub itself if this
+ * is possible. (This permits user code to avoid making calls
+ * to readNextFrameStub in a case where it already knows that
+ * the frame exists.)
+ *
+ * \throws APIError if no next frame exists, or if it lacks either time or step number. */
+ TrajectoryFrame frame();
+ /*! \brief Constructor
+ *
+ * \param[in] filename Name of trajectory file to open and read. */
+ explicit TrajectoryFrameReader(const std::string& filename);
- // Multiple owners of these resources isn't very sensible, so prevent it
- GMX_DISALLOW_COPY_AND_ASSIGN(TrajectoryFrameReader);
+private:
+ //! Name of trajectory file to open and read
+ std::string filename_;
+ //! Owning handle of output environment object
+ oenv_ptr oenvGuard_;
+ //! Owning handle of an open trajectory file ready to read frames.
+ trxstatus_file_ptr trajectoryFileGuard_;
+ //! Owning handle of contents of trajectory file frame after reading.
+ const trxframe_ptr trxframeGuard_;
+ //! Whether the first frame has been read
+ bool haveReadFirstFrame_;
+ //! Whether the API has been used properly (ie. probe before reading).
+ bool haveProbedForNextFrame_;
+ //! Whether there has been a probe that found a next frame.
+ bool nextFrameExists_;
+
+ // Multiple owners of these resources isn't very sensible, so prevent it
+ GMX_DISALLOW_COPY_AND_ASSIGN(TrajectoryFrameReader);
};
-} // namespace test
-} // namespace gmx
+} // namespace test
+} // namespace gmx
#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff