Restore gmxapi._gmxapi.add_mdmodule() Python functionality.

[alexxy/gromacs.git] / api / gmxapi / include / gmxapi / system.h

diff --git a/api/gmxapi/include/gmxapi/system.h b/api/gmxapi/include/gmxapi/system.h
index 2eced6e4d93fe00093bbe3d1870f36439115ed86..d9625b4bd39c8f0d1113cffc6c952c54ea02aaae 100644 (file)
--- a/api/gmxapi/include/gmxapi/system.h
+++ b/api/gmxapi/include/gmxapi/system.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, 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.
@@ -152,7 +152,7 @@ public:
      * 2. A new Session is created using the ContextImpl and the runner
      *
      * Then, for each module available through getSpec()->getModules(),
-     * the session and module are passed to gmxapi::setSessionRestraint().
+     * the session and module are passed to gmxapi::addSessionRestraint().
      * 1. A gmx::IRestraintPotential is retrieved from the module.
      * 2. A unique, named SessionResources is created for the module and attached to the SessionImpl.
      *     1. The module is added as a signaller to the session SignalManager
@@ -170,6 +170,8 @@ public:
      */
     std::shared_ptr<Session> launch(const std::shared_ptr<Context>& context);
 
+    [[nodiscard]] Impl* get() const;
+
 private:
     /*!
      * \brief Opaque pointer to implementation.
@@ -191,6 +193,9 @@ private:
  */
 System fromTprFile(const std::string& filename);
 
+class Workflow;
+std::shared_ptr<Workflow> getWork(const System::Impl& system);
+
 } // end namespace gmxapi
 
 #endif // include guard