Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / selection / poscalc.h

diff --git a/src/gromacs/selection/poscalc.h b/src/gromacs/selection/poscalc.h
index fead217d1b41d0be4fb72c5e45908bf4344f5c1d..83b95d6d3270296dbd50e49b2976ab037b66623d 100644 (file)
--- a/src/gromacs/selection/poscalc.h
+++ b/src/gromacs/selection/poscalc.h
@@ -54,7 +54,7 @@
 
 #include <cstdio>
 
-#include "../utility/common.h"
+#include "gromacs/utility/common.h"
 
 /*! \name Flags for position calculation.
  * \anchor poscalc_flags
@@ -279,6 +279,13 @@ class PositionCalculationCollection
          */
         gmx_ana_poscalc_t *createCalculationFromEnum(const char *post, int flags);
 
+        /*! \brief
+         * Computes the highest atom index required to evaluate this collection.
+         *
+         * Does not throw.
+         */
+        int getHighestRequiredAtomIndex() const;
+
         /*! \brief
          * Initializes evaluation for a position calculation collection.
          *