Merge branch 'origin/release-2020' into merge-release-2020-into-master

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

diff --git a/src/gromacs/topology/topology.h b/src/gromacs/topology/topology.h
index 6ac65d0b39d104f9c8bbf9d38872eb81cc4d58b1..cda4ec7e942e5bba57d907e69566725d709c82f1 100644 (file)
--- a/src/gromacs/topology/topology.h
+++ b/src/gromacs/topology/topology.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2011,2014,2015,2016,2018 by the GROMACS development team.
+ * Copyright (c) 2011,2014,2015,2016,2018, The GROMACS development team.
  * Copyright (c) 2019,2020, 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
@@ -118,17 +118,18 @@ struct MoleculeBlockIndices
  */
 struct SimulationGroups
 {
-    //! Groups of particles
+    // TODO: collect groups and groupNumbers in a struct for each group type
+    //! Group numbers for each of the different SimulationAtomGroupType groups.
     gmx::EnumerationArray<SimulationAtomGroupType, AtomGroupIndices> groups;
     //! Names of groups, stored as pointer to the entries in the symbol table.
     std::vector<char**> groupNames;
-    //! Group numbers for the different SimulationAtomGroupType groups.
+    //! Indices into groups for each atom for each of the different SimulationAtomGroupType groups.
     gmx::EnumerationArray<SimulationAtomGroupType, std::vector<unsigned char>> groupNumbers;
 
     /*! \brief
-     * Number of group numbers for a single SimulationGroup.
+     * Number of atoms for which group numbers are stored for a single SimulationGroup.
      *
-     * \param[in] group Integer value for the group type.
+     * \param[in] group  The group type.
      */
     int numberOfGroupNumbers(SimulationAtomGroupType group) const
     {