Use optional instead of magic numbers in preprocessing

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / vsite_parm.cpp

diff --git a/src/gromacs/gmxpreprocess/vsite_parm.cpp b/src/gromacs/gmxpreprocess/vsite_parm.cpp
index 3ddd90b7617c1b60a43582e2307881963b66eb3c..b681001137385dcb52acf151f89be6301cbc5957 100644 (file)
--- a/src/gromacs/gmxpreprocess/vsite_parm.cpp
+++ b/src/gromacs/gmxpreprocess/vsite_parm.cpp
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2017,2018 by the GROMACS development team.
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, 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
  * top-level source directory and at http://www.gromacs.org.
@@ -385,7 +385,7 @@ static real get_angle(gmx::ArrayRef<const VsiteBondedInteraction> angles, t_iato
 
 static const char* get_atomtype_name_AB(t_atom* atom, PreprocessingAtomTypes* atypes)
 {
-    const char* name = atypes->atomNameFromAtomType(atom->type);
+    const char* name = *atypes->atomNameFromAtomType(atom->type);
 
     /* When using the decoupling option, atom types are changed
      * to decoupled for the non-bonded interactions, but the virtual
@@ -399,7 +399,7 @@ static const char* get_atomtype_name_AB(t_atom* atom, PreprocessingAtomTypes* at
      */
     if (strcmp(name, "decoupled") == 0)
     {
-        name = atypes->atomNameFromAtomType(atom->typeB);
+        name = *atypes->atomNameFromAtomType(atom->typeB);
     }
 
     return name;