*/
class PyContext
{
- public:
- PyContext();
- void setMDArgs(const MDArgs &mdArgs);
- std::shared_ptr<gmxapi::Session> launch(const gmxapi::Workflow &work);
- std::shared_ptr<gmxapi::Context> get() const;
+public:
+ PyContext();
+ void setMDArgs(const MDArgs& mdArgs);
+ std::shared_ptr<gmxapi::Session> launch(const gmxapi::Workflow& work);
+ std::shared_ptr<gmxapi::Context> get() const;
- void addMDModule(pybind11::object forceProvider);
+ void addMDModule(pybind11::object forceProvider);
- /*!
- * \brief Borrow shared ownership of the System's container of associated modules.
- *
- * Used with gmxapi::MDHolder to add MD Modules to the simulation to be run.
- *
- * \return handle to be passed to gmxapi::MDHolder
- *
- */
- std::shared_ptr<gmxapi::MDWorkSpec> getSpec() const;
+ /*!
+ * \brief Borrow shared ownership of the System's container of associated modules.
+ *
+ * Used with gmxapi::MDHolder to add MD Modules to the simulation to be run.
+ *
+ * \return handle to be passed to gmxapi::MDHolder
+ *
+ */
+ std::shared_ptr<gmxapi::MDWorkSpec> getSpec() const;
- private:
- std::shared_ptr<gmxapi::Context> context_;
- std::shared_ptr<gmxapi::MDWorkSpec> workNodes_;
+private:
+ std::shared_ptr<gmxapi::Context> context_;
+ std::shared_ptr<gmxapi::MDWorkSpec> workNodes_;
};
-} // end namespace gmxpy
+} // end namespace gmxpy
-#endif //GMXPY_PYCONTEXT_H
+#endif // GMXPY_PYCONTEXT_H