src/gromacs/listed-forces/utilities.h

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  35 /*! \internal
  36  * \file
  37  *
  38  * \brief This file declares inline utility functionality.
  39  *
  40  * \author Mark Abraham <mark.j.abraham@gmail.com>
  41  *
  42  * \ingroup module_listed-forces
  43  */
  44 #ifndef GMX_LISTED_FORCES_UTILITIES_H
  45 #define GMX_LISTED_FORCES_UTILITIES_H
  46
  47 #include "gromacs/topology/ifunc.h"
  48
  49 /*! \brief Return whether this is an interaction that actually
  50  * calculates a potential and works on multiple atoms (not e.g. a
  51  * connection or a position restraint).
  52  *
  53  * \todo This function could go away when idef is not a big bucket of
  54  * everything. */
  55 static bool
  56 ftype_is_bonded_potential(int ftype)
  57 {
  58     return
  59         ((interaction_function[ftype].flags & IF_BOND) != 0u) &&
  60         !(ftype == F_CONNBONDS || ftype == F_POSRES || ftype == F_FBPOSRES);
  61 }
  62
  63 #endif