Clean up some headers in mdlib

[alexxy/gromacs.git] / src / gromacs / mdlib / vcm.h

diff --git a/src/gromacs/mdlib/vcm.h b/src/gromacs/mdlib/vcm.h
index eb33b56e4253c673dd523354a5f8a6987a4f0309..4f4a26d9a2ef290c50b75607bb4cc7f7d6cf5c68 100644 (file)
--- a/src/gromacs/mdlib/vcm.h
+++ b/src/gromacs/mdlib/vcm.h
@@ -43,8 +43,6 @@
 #include <vector>
 
 #include "gromacs/math/vectypes.h"
-#include "gromacs/mdtypes/md_enums.h"
-#include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
 struct SimulationGroups;
@@ -57,6 +55,19 @@ template<typename T>
 class ArrayRef;
 }
 
+//! Center of mass motion removal algorithm.
+enum class ComRemovalAlgorithm : int
+{
+    Linear,
+    Angular,
+    No,
+    LinearAccelerationCorrection,
+    Count,
+    Default = Linear
+};
+//! String corresponding to COM removal
+const char* enumValueToString(ComRemovalAlgorithm enumValue);
+
 struct t_vcm_thread
 {
     //! Linear momentum