#include "gromacs/topology/atomprop.h"
#include "gromacs/topology/atoms.h"
-std::vector<real>
-makeExclusionDistances(const t_atoms *a, AtomProperties *aps,
- real defaultDistance, real scaleFactor)
+std::vector<real> makeExclusionDistances(const t_atoms* a, AtomProperties* aps, real defaultDistance, real scaleFactor)
{
std::vector<real> exclusionDistances;
exclusionDistances.reserve(a->nr);
for (int i = 0; i < a->nr; ++i)
{
- real value;
- if (!aps->setAtomProperty(epropVDW,
- std::string(*(a->resinfo[a->atom[i].resind].name)),
+ real value;
+ if (!aps->setAtomProperty(epropVDW, std::string(*(a->resinfo[a->atom[i].resind].name)),
std::string(*(a->atomname[i])), &value))
{
value = defaultDistance;