Merge branch origin/release-2020 into master

[alexxy/gromacs.git] / src / gromacs / topology / mtop_util.h

diff --git a/src/gromacs/topology/mtop_util.h b/src/gromacs/topology/mtop_util.h
index 556229a234e798d44adfef86b029f27be14d97f5..779d77f1aade98271a0574d07bb3efea06160483 100644 (file)
--- a/src/gromacs/topology/mtop_util.h
+++ b/src/gromacs/topology/mtop_util.h
@@ -40,6 +40,7 @@
 
 #include <cstddef>
 
+#include <array>
 #include <vector>
 
 #include "gromacs/topology/topology.h"
@@ -244,6 +245,9 @@ int gmx_mtop_ftype_count(const gmx_mtop_t& mtop, int ftype);
 /* Returns the total number of interactions in the system with all interaction flags that are set in \p if_flags set */
 int gmx_mtop_interaction_count(const gmx_mtop_t& mtop, int unsigned if_flags);
 
+/* Returns the count of atoms for each particle type */
+std::array<int, eptNR> gmx_mtop_particletype_count(const gmx_mtop_t& mtop);
+
 /* Returns a single t_atoms struct for the whole system */
 t_atoms gmx_mtop_global_atoms(const gmx_mtop_t* mtop);