Remove useless top level nblib force calculator

[alexxy/gromacs.git] / api / nblib / gmxsetup.h

diff --git a/api/nblib/gmxsetup.h b/api/nblib/gmxsetup.h
index bef3ee740d7b6a7679a73af85acbfed7179a3d2e..4ac7a1dca34628b266a36841dee5f40ff588c24c 100644 (file)
--- a/api/nblib/gmxsetup.h
+++ b/api/nblib/gmxsetup.h
@@ -124,23 +124,11 @@ private:
     std::unique_ptr<GmxForceCalculator> gmxForceCalculator_;
 };
 
-/*! \brief Calls the setup utilities needed to initialize a GmxForceCalculator object
- *
- * The GmxSetupDirector encapsulates the multi-stage setup of the GmxForceCalculator which
- * is done using the public functions of the NbvSetupUtil. This separation ensures that the
- * NbvSetupUtil object is temporary in scope. The function definition makes it easy for the
- * developers to follow the sequence of calls and the dataflow involved in setting up
- * the non-bonded force calculation backend. This is the only function needed to be called
- * from the ForceCalculator during construction.
- *
- */
-class GmxSetupDirector
-{
-public:
-    //! Sets up and returns a GmxForceCalculator
-    static std::unique_ptr<GmxForceCalculator> setupGmxForceCalculator(const SimulationState& system,
-                                                                       const NBKernelOptions& options);
-};
+//! Sets up and returns a GmxForceCalculator
+std::unique_ptr<GmxForceCalculator> setupGmxForceCalculator(const Topology&          topology,
+                                                            const std::vector<Vec3>& coordinates,
+                                                            const Box&               box,
+                                                            const NBKernelOptions&   options);
 
 } // namespace nblib
 #endif // NBLIB_GMXSETUP_H