/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2013,2014,2015,2016,2019, 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 TrajectoryAnalysisRunnerCommon
{
- public:
- /*! \brief
- * Initializes a new runner helper.
- *
- * \param settings Settings object to use.
- */
- explicit TrajectoryAnalysisRunnerCommon(TrajectoryAnalysisSettings *settings);
- ~TrajectoryAnalysisRunnerCommon();
+public:
+ /*! \brief
+ * Initializes a new runner helper.
+ *
+ * \param settings Settings object to use.
+ */
+ explicit TrajectoryAnalysisRunnerCommon(TrajectoryAnalysisSettings* settings);
+ ~TrajectoryAnalysisRunnerCommon();
- //! Returns a topology provider for SelectionOptionBehavior.
- ITopologyProvider *topologyProvider();
+ //! Returns a topology provider for SelectionOptionBehavior.
+ ITopologyProvider* topologyProvider();
- /*! \brief
- * Initializes common options for trajectory analysis.
- *
- * \param[in,out] options Options object to add the options to.
- * \param[in,out] timeUnitBehavior Time unit behavior to use for adding
- * and handling the `-tu` option.
- */
- void initOptions(IOptionsContainer *options, TimeUnitBehavior *timeUnitBehavior);
- //! Processes common option values after they have been parsed.
- void optionsFinished();
- //! Load topology information if provided and/or required.
- void initTopology();
- /*! \brief
- * Reads the first frame from the trajectory.
- *
- * After this call, frame() returns the first frame.
- */
- void initFirstFrame();
- /*! \brief
- * Initializes the index in frame() that specifies the atoms contained.
- *
- * Can be called after selections have been compiled.
- */
- void initFrameIndexGroup();
- /*! \brief
- * Reads the next frame from the trajectory.
- *
- * \returns false if there were no more frames.
- *
- * After this call, frame() returns the newly loaded frame.
- */
- bool readNextFrame();
- /*! \brief
- * Performs common initialization for the currently loaded frame.
- *
- * Currently, makes molecules whole if requested.
- */
- void initFrame();
+ /*! \brief
+ * Initializes common options for trajectory analysis.
+ *
+ * \param[in,out] options Options object to add the options to.
+ * \param[in,out] timeUnitBehavior Time unit behavior to use for adding
+ * and handling the `-tu` option.
+ */
+ void initOptions(IOptionsContainer* options, TimeUnitBehavior* timeUnitBehavior);
+ //! Processes common option values after they have been parsed.
+ void optionsFinished();
+ //! Load topology information if provided and/or required.
+ void initTopology();
+ /*! \brief
+ * Reads the first frame from the trajectory.
+ *
+ * After this call, frame() returns the first frame.
+ */
+ void initFirstFrame();
+ /*! \brief
+ * Initializes the index in frame() that specifies the atoms contained.
+ *
+ * Can be called after selections have been compiled.
+ */
+ void initFrameIndexGroup();
+ /*! \brief
+ * Reads the next frame from the trajectory.
+ *
+ * \returns false if there were no more frames.
+ *
+ * After this call, frame() returns the newly loaded frame.
+ */
+ bool readNextFrame();
+ /*! \brief
+ * Performs common initialization for the currently loaded frame.
+ *
+ * Currently, makes molecules whole if requested.
+ */
+ void initFrame();
- //! Returns true if input data comes from a trajectory.
- bool hasTrajectory() const;
- //! Returns the topology information object.
- const TopologyInformation &topologyInformation() const;
- //! Returns the currently loaded frame.
- t_trxframe &frame() const;
+ //! Returns true if input data comes from a trajectory.
+ bool hasTrajectory() const;
+ //! Returns the topology information object.
+ const TopologyInformation& topologyInformation() const;
+ //! Returns the currently loaded frame.
+ t_trxframe& frame() const;
- private:
- class Impl;
+private:
+ class Impl;
- PrivateImplPointer<Impl> impl_;
+ PrivateImplPointer<Impl> impl_;
};
} // namespace gmx