*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017, 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.
srenew(ap->bAvail, ap->maxprop);
for (i = ap->nprop; (i < ap->maxprop); i++)
{
- ap->atomnm[i] = NULL;
- ap->resnm[i] = NULL;
+ ap->atomnm[i] = nullptr;
+ ap->resnm[i] = nullptr;
ap->value[i] = 0;
ap->bAvail[i] = FALSE;
}
gmx_atomprop *ap = (gmx_atomprop*) aps;
int p;
- if (aps == NULL)
+ if (aps == nullptr)
{
printf("\nWARNING: gmx_atomprop_destroy called with a NULL pointer\n\n");
return;
static void vdw_warning(FILE *fp)
{
- if (NULL != fp)
+ if (nullptr != fp)
{
fprintf(fp, "NOTE: From version 5.0 %s uses the Van der Waals radii\n",
gmx::getProgramContext().displayName());
return ap->prop[epropElement].atomnm[i];
}
}
- return NULL;
+ return nullptr;
}
int gmx_atomprop_atomnumber(gmx_atomprop_t aps, const char *elem)