Add value_ref and value to pull_coord_t

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

diff --git a/src/gromacs/pulling/pull.h b/src/gromacs/pulling/pull.h
index 72a0f8bfe6a30998ce069507fe52c6b8e0209898..f1f49bd7ace6b6e5bed7898c16f25cf2d504aa41 100644 (file)
--- a/src/gromacs/pulling/pull.h
+++ b/src/gromacs/pulling/pull.h
@@ -59,20 +59,18 @@ extern "C" {
 
 struct t_pbc;
 
-/*! \brief Get the deviation for pull coord coord_ind.
- *
- * This call updates some data in the pull coordinates in \p pull.
+
+/*! \brief Get the value for pull coord coord_ind.
  *
  * \param[in,out] pull      The pull struct.
  * \param[in]     coord_ind Number of the pull coordinate.
  * \param[in]     pbc       Information structure about periodicity.
- * \param[in]     t         Time.
- * \param[out]    dev       The deviation from the reference distance.
+ * \param[out]    value     The value of the pull coordinate.
  */
-void get_pull_coord_distance(const t_pull *pull,
-                             int coord_ind,
-                             const struct t_pbc *pbc, double t,
-                             double *dev);
+void get_pull_coord_value(t_pull             *pull,
+                          int                 coord_ind,
+                          const struct t_pbc *pbc,
+                          double             *value);
 
 
 /*! \brief Set the all the pull forces to zero.