Check frame atom count before evaluating selections

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

diff --git a/src/gromacs/selection/poscalc.h b/src/gromacs/selection/poscalc.h
index fead217d1b41d0be4fb72c5e45908bf4344f5c1d..47806069b1062921e6d0c47e20c742bd0161e6fb 100644 (file)
--- a/src/gromacs/selection/poscalc.h
+++ b/src/gromacs/selection/poscalc.h
@@ -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.
          *