Add checkpointing for MdModules

[alexxy/gromacs.git] / src / gromacs / mdrun / isimulator.h

diff --git a/src/gromacs/mdrun/isimulator.h b/src/gromacs/mdrun/isimulator.h
index 9fbb343514b4571905283f7803cf4955148c39e4..a2b24a69df9060d96a105ffd7593c4304d8ea24a 100644 (file)
--- a/src/gromacs/mdrun/isimulator.h
+++ b/src/gromacs/mdrun/isimulator.h
@@ -73,6 +73,7 @@ class BoxDeformation;
 class Constraints;
 class PpForceWorkload;
 class IMDOutputProvider;
+struct MdModulesNotifier;
 class ImdSession;
 class MDLogger;
 class MDAtoms;
@@ -113,6 +114,7 @@ class ISimulator
             gmx_enfrot                         *enforcedRotation,
             BoxDeformation                     *deform,
             IMDOutputProvider                  *outputProvider,
+            const MdModulesNotifier            &mdModulesNotifier,
             t_inputrec                         *inputrec,
             ImdSession                         *imdSession,
             pull_t                             *pull_work,
@@ -147,6 +149,7 @@ class ISimulator
             enforcedRotation(enforcedRotation),
             deform(deform),
             outputProvider(outputProvider),
+            mdModulesNotifier(mdModulesNotifier),
             inputrec(inputrec),
             imdSession(imdSession),
             pull_work(pull_work),
@@ -198,6 +201,8 @@ class ISimulator
         BoxDeformation                     *deform;
         //! Handles writing output files.
         IMDOutputProvider                  *outputProvider;
+        //! Handles notifications to MdModules for checkpoint writing
+        const MdModulesNotifier            &mdModulesNotifier;
         //! Contains user input mdp options.
         t_inputrec                         *inputrec;
         //! The Interactive Molecular Dynamics session.