*
* 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.
#define npargs asize(pa)
gmx_output_env_t *oenv;
- t_atoms *atoms = NULL;
+ t_atoms *atoms = nullptr;
int i, j, k;
FILE *out;
int igrp;
char *gn_grp;
matrix box;
gmx_bool bFreeze;
- rvec dx, *x = NULL, *v = NULL;
+ rvec dx, *x = nullptr, *v = nullptr;
t_filenm fnm[] = {
- { efSTX, "-f", NULL, ffREAD },
- { efNDX, "-n", NULL, ffOPTRD },
+ { efSTX, "-f", nullptr, ffREAD },
+ { efNDX, "-n", nullptr, ffOPTRD },
{ efITP, "-o", "posre", ffWRITE },
{ efNDX, "-of", "freeze", ffOPTWR }
};
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, 0, NFILE, fnm, npargs, pa,
- asize(desc), desc, 0, NULL, &oenv))
+ asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
xfn = opt2fn_null("-f", NFILE, fnm);
nfn = opt2fn_null("-n", NFILE, fnm);
- if (( nfn == NULL ) && ( xfn == NULL))
+ if (( nfn == nullptr ) && ( xfn == nullptr))
{
gmx_fatal(FARGS, "no index file and no structure file supplied");
}
}
const char *title = "";
- if (xfn != NULL)
+ if (xfn != nullptr)
{
fprintf(stderr, "\nReading structure file\n");
- t_topology *top = NULL;
+ t_topology *top = nullptr;
snew(top, 1);
- read_tps_conf(xfn, top, NULL, &x, &v, box, FALSE);
+ read_tps_conf(xfn, top, nullptr, &x, &v, box, FALSE);
title = *top->name;
atoms = &top->atoms;
- if (atoms->pdbinfo == NULL)
+ if (atoms->pdbinfo == nullptr)
{
snew(atoms->pdbinfo, atoms->nr);
}