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[alexxy/gromacs.git] / src / gromacs / mdtypes / pullhistory.h

diff --git a/src/gromacs/mdtypes/pullhistory.h b/src/gromacs/mdtypes/pullhistory.h
index 624bad6233e04b7d59c7474fae0056fa7d2782ca..7be3cb5080ed754c2e07d00d075e0a7400ac5b3b 100644 (file)
--- a/src/gromacs/mdtypes/pullhistory.h
+++ b/src/gromacs/mdtypes/pullhistory.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018,2019, 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.
@@ -55,54 +55,43 @@
 //! \brief Contains the sum of coordinate observables to enable calculation of the average of pull data.
 class PullCoordinateHistory
 {
-    public:
-        double value;           //!< The sum of the current value of the coordinate, units of nm or rad.
-        double valueRef;        //!< The sum of the reference value of the coordinate, units of nm or rad.
-        double scalarForce;     //!< The sum of the scalar force of the coordinate.
-        dvec   dr01;            //!< The sum of the direction vector of group 1 relative to group 0.
-        dvec   dr23;            //!< The sum of the direction vector of group 3 relative to group 2.
-        dvec   dr45;            //!< The sum of the direction vector of group 5 relative to group 4.
-        dvec   dynaX;           //!< The sum of the coordinate of the dynamic groups for geom=cylinder.
+public:
+    double value;       //!< The sum of the current value of the coordinate, units of nm or rad.
+    double valueRef;    //!< The sum of the reference value of the coordinate, units of nm or rad.
+    double scalarForce; //!< The sum of the scalar force of the coordinate.
+    dvec   dr01;        //!< The sum of the direction vector of group 1 relative to group 0.
+    dvec   dr23;        //!< The sum of the direction vector of group 3 relative to group 2.
+    dvec   dr45;        //!< The sum of the direction vector of group 5 relative to group 4.
+    dvec   dynaX;       //!< The sum of the coordinate of the dynamic groups for geom=cylinder.
 
-        //! Constructor
-        PullCoordinateHistory() : value      (0),
-                                  valueRef   (0),
-                                  scalarForce(0),
-                                  dr01       (),
-                                  dr23       (),
-                                  dr45       (),
-                                  dynaX      ()
-        {
-        }
+    //! Constructor
+    PullCoordinateHistory() : value(0), valueRef(0), scalarForce(0), dr01(), dr23(), dr45(), dynaX()
+    {
+    }
 };
 
 //! \brief Contains the sum of group observables to enable calculation of the average of pull data.
 class PullGroupHistory
 {
-    public:
-        dvec   x;               //!< The sum of the coordinates of the group.
+public:
+    dvec x; //!< The sum of the coordinates of the group.
 
-        //! Constructor
-        PullGroupHistory() : x ()
-        {
-        }
+    //! Constructor
+    PullGroupHistory() : x() {}
 };
 
 
 //! \brief Pull statistics history, to allow output of average pull data.
 class PullHistory
 {
-    public:
-        int                                numValuesInXSum;        //!< Number of values of the coordinate values in the pull sums.
-        int                                numValuesInFSum;        //!< Number of values in the pull force sums.
-        std::vector<PullCoordinateHistory> pullCoordinateSums;     //!< The container of the sums of the values of the pull coordinate, also contains the scalar force.
-        std::vector<PullGroupHistory>      pullGroupSums;          //!< The container of the sums of the values of the pull group.
+public:
+    int numValuesInXSum; //!< Number of values of the coordinate values in the pull sums.
+    int numValuesInFSum; //!< Number of values in the pull force sums.
+    std::vector<PullCoordinateHistory> pullCoordinateSums; //!< The container of the sums of the values of the pull coordinate, also contains the scalar force.
+    std::vector<PullGroupHistory> pullGroupSums; //!< The container of the sums of the values of the pull group.
 
-        //! Constructor
-        PullHistory() : numValuesInXSum(0),
-                        numValuesInFSum(0)
-        {
-        }
+    //! Constructor
+    PullHistory() : numValuesInXSum(0), numValuesInFSum(0) {}
 };
 
 //! \endcond