Minor pull code cleanup

[alexxy/gromacs.git] / src / gromacs / pulling / pull_internal.h

diff --git a/src/gromacs/pulling/pull_internal.h b/src/gromacs/pulling/pull_internal.h
index 6bffa018d0a7b995d3a36114a574eeb31d65c9e8..14f19778db2f74c93882793f982574cb3a34c900 100644 (file)
--- a/src/gromacs/pulling/pull_internal.h
+++ b/src/gromacs/pulling/pull_internal.h
@@ -145,10 +145,10 @@ struct PullCoordSpatialData
     double value; /* The current value of the coordinate, units of nm or rad */
 };
 
-/* Struct with parameters and force evaluation local data for a pull coordinate */
+//! \brief Struct with parameters and force evaluation local data for a pull coordinate
 struct pull_coord_work_t
 {
-    /* Constructor */
+    //! Constructor
     pull_coord_work_t(const t_pull_coord& params) :
         params(params),
         value_ref(0),
@@ -158,18 +158,21 @@ struct pull_coord_work_t
     {
     }
 
-    const t_pull_coord params; /* Pull coordinate parameters */
+    //! Pull coordinate parameters
+    const t_pull_coord params;
 
-    /* Dynamic pull group 0 for this coordinate with dynamic weights, only present when needed */
+    //! Dynamic pull group 0 for this coordinate with dynamic weights, only present when needed */
     std::unique_ptr<pull_group_work_t> dynamicGroup0;
+    //! The reference value, usually init+rate*t, units of nm or rad.
+    double value_ref;
 
-    double value_ref; /* The reference value, usually init+rate*t, units of nm or rad */
+    //! Data defining the current geometry
+    PullCoordSpatialData spatialData;
 
-    PullCoordSpatialData spatialData; /* Data defining the current geometry */
+    //! Scalar force for this cooordinate
+    double scalarForce;
 
-    double scalarForce; /* Scalar force for this cooordinate */
-
-    /* For external-potential coordinates only, for checking if a provider has been registered */
+    //! For external-potential coordinates only, for checking if a provider has been registered
     bool bExternalPotentialProviderHasBeenRegistered;
 };