/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018, by the GROMACS development team, led by
+ * Copyright (c) 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.
*/
class RestraintMDModule final : public gmx::IMDModule
{
- public:
- RestraintMDModule() = delete;
+public:
+ RestraintMDModule() = delete;
- /*!
- * \brief Constructor used by static create() method.
- */
- explicit RestraintMDModule(std::unique_ptr<RestraintMDModuleImpl> restraint);
+ /*!
+ * \brief Constructor used by static create() method.
+ */
+ explicit RestraintMDModule(std::unique_ptr<RestraintMDModuleImpl> restraint);
- ~RestraintMDModule() override;
+ ~RestraintMDModule() override;
- /*!
- * \brief Wrap a restraint potential as an MDModule
- *
- * \param restraint shared ownership of an object for calculating restraint forces.
- * \return new wrapper object sharing ownership of restraint.
- *
- * Consumers of the interfaces provided by an IMDModule do not extend the lifetime
- * of the interface objects returned by mdpOptionProvider(), outputProvider(), or
- * registered via initForceProviders(). Calling code must keep this object alive
- * as long as those interfaces are needed (probably the duration of an MD run).
- *
- * \param restraint handle to object to wrap
- * \param sites list of sites for the framework to pass to the restraint
- */
- static std::unique_ptr<RestraintMDModule>
- create(std::shared_ptr<gmx::IRestraintPotential> restraint, const std::vector<int> &sites);
+ /*!
+ * \brief Wrap a restraint potential as an MDModule
+ *
+ * \param restraint shared ownership of an object for calculating restraint forces.
+ * \return new wrapper object sharing ownership of restraint.
+ *
+ * Consumers of the interfaces provided by an IMDModule do not extend the lifetime
+ * of the interface objects returned by mdpOptionProvider(), outputProvider(), or
+ * registered via initForceProviders(). Calling code must keep this object alive
+ * as long as those interfaces are needed (probably the duration of an MD run).
+ *
+ * \param restraint handle to object to wrap
+ * \param sites list of sites for the framework to pass to the restraint
+ */
+ static std::unique_ptr<RestraintMDModule> create(std::shared_ptr<gmx::IRestraintPotential> restraint,
+ const std::vector<int>& sites);
- /*!
- * \brief Implement IMDModule interface
- *
- * Unused.
- *
- * \return nullptr.
- */
- IMdpOptionProvider *mdpOptionProvider() override;
+ /*!
+ * \brief Implement IMDModule interface
+ *
+ * Unused.
+ *
+ * \return nullptr.
+ */
+ IMdpOptionProvider* mdpOptionProvider() override;
- /*!
- * \brief Implement IMDModule interface
- *
- * Unused.
- *
- * \return nullptr.
- */
- IMDOutputProvider *outputProvider() override;
+ /*!
+ * \brief Implement IMDModule interface
+ *
+ * Unused.
+ *
+ * \return nullptr.
+ */
+ IMDOutputProvider* outputProvider() override;
- /*!
- * \brief Implement IMDModule interface.
- *
- * See gmx::IMDModule::initForceProviders()
- * \param forceProviders manager in the force record.
- */
- void initForceProviders(ForceProviders *forceProviders) override;
+ /*!
+ * \brief Implement IMDModule interface.
+ *
+ * See gmx::IMDModule::initForceProviders()
+ * \param forceProviders manager in the force record.
+ */
+ void initForceProviders(ForceProviders* forceProviders) override;
- private:
- /*!
- * \brief Private implementation opaque pointer.
- */
- std::unique_ptr<RestraintMDModuleImpl> impl_;
+private:
+ /*!
+ * \brief Private implementation opaque pointer.
+ */
+ std::unique_ptr<RestraintMDModuleImpl> impl_;
};
-} // end namespace gmx
+} // end namespace gmx
-#endif //GROMACS_RESTRAINTMDMODULE_H
+#endif // GROMACS_RESTRAINTMDMODULE_H