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/*! \file
* \brief
* Declares gmx::TrajectoryAnalysisSettings and gmx::TopologyInformation.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \inpublicapi
* \ingroup module_trajectoryanalysis
*/
#ifndef GMX_TRAJECTORYANALYSIS_ANALYSISSETTINGS_H
#define GMX_TRAJECTORYANALYSIS_ANALYSISSETTINGS_H
-#include "../legacyheaders/typedefs.h"
+#include "gromacs/math/vectypes.h"
+#include "gromacs/options/timeunitmanager.h"
+#include "gromacs/utility/common.h"
-#include "../options/timeunitmanager.h"
-#include "../utility/common.h"
+struct t_topology;
namespace gmx
{
*
* Returns the value set with setPBC() and/or overridden by the user.
* The user-provided value can be accessed in
- * TrajectoryAnalysisModule::initOptionsDone(), and can be overridden
+ * TrajectoryAnalysisModule::optionsFinished(), and can be overridden
* with a call to setPBC().
*/
bool hasPBC() const;
private:
class Impl;
- PrivateImplPointer<Impl> _impl;
+ PrivateImplPointer<Impl> impl_;
friend class TrajectoryAnalysisRunnerCommon;
};
{
public:
//! Returns true if a topology file was loaded.
- bool hasTopology() const { return _top != NULL; }
+ bool hasTopology() const { return top_ != NULL; }
//! Returns true if a full topology file was loaded.
- bool hasFullTopology() const { return _bTop; }
+ bool hasFullTopology() const { return bTop_; }
//! Returns the loaded topology, or NULL if not loaded.
- t_topology *topology() const { return _top; }
+ t_topology *topology() const { return top_; }
//! Returns the ePBC field from the topology.
- int ePBC() const { return _ePBC; }
+ int ePBC() const { return ePBC_; }
/*! \brief
* Gets the configuration from the topology.
*
~TopologyInformation();
//! The topology structure, or NULL if no topology loaded.
- t_topology *_top;
+ t_topology *top_;
//! true if full tpx file was loaded, false otherwise.
- bool _bTop;
+ bool bTop_;
//! Coordinates from the topology (can be NULL).
- rvec *_xtop;
+ rvec *xtop_;
//! The box loaded from the topology file.
- matrix _boxtop;
+ matrix boxtop_;
//! The ePBC field loaded from the topology file.
- int _ePBC;
+ int ePBC_;
GMX_DISALLOW_COPY_AND_ASSIGN(TopologyInformation);