*
* 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.
char *grpname;
int isize;
int *index;
- real *w_rls = NULL;
+ real *w_rls = nullptr;
t_trxstatus *in;
t_trxstatus *outl, *outh;
int nffr, i, fr, nat, j, d, m;
real flen, *filt, sum, *t;
rvec xcmtop, xcm, **x, *ptr, *xf, *xn, *xp, hbox;
gmx_output_env_t *oenv;
- gmx_rmpbc_t gpbc = NULL;
+ gmx_rmpbc_t gpbc = nullptr;
#define NLEG asize(leg)
t_filenm fnm[] = {
- { efTRX, "-f", NULL, ffREAD },
- { efTPS, NULL, NULL, ffOPTRD },
- { efNDX, NULL, NULL, ffOPTRD },
+ { efTRX, "-f", nullptr, ffREAD },
+ { efTPS, nullptr, nullptr, ffOPTRD },
+ { efNDX, nullptr, nullptr, ffOPTRD },
{ efTRO, "-ol", "lowpass", ffOPTWR },
{ efTRO, "-oh", "highpass", ffOPTWR }
};
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW,
- NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
+ NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
if (topfile)
{
bTop = read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC,
- &xtop, NULL, topbox, TRUE);
+ &xtop, nullptr, topbox, TRUE);
if (bTop)
{
gpbc = gmx_rmpbc_init(&top.idef, ePBC, top.atoms.nr);
}
else
{
- outl = 0;
+ outl = nullptr;
}
if (highfile)
{
}
else
{
- outh = 0;
+ outh = nullptr;
}
fr = 0;
}
if (outl && (bLowAll || fr % nf == nf - 1))
{
- write_trx(outl, nat, ind, topfile ? &(top.atoms) : NULL,
- 0, t[nf - 1], bFit ? topbox : boxf, xf, NULL, NULL);
+ write_trx(outl, nat, ind, topfile ? &(top.atoms) : nullptr,
+ 0, t[nf - 1], bFit ? topbox : boxf, xf, nullptr, nullptr);
}
if (outh)
{
boxf[j][d] = topbox[j][d] + box[nf - 1][j][d] - boxf[j][d];
}
}
- write_trx(outh, nat, ind, topfile ? &(top.atoms) : NULL,
- 0, t[nf - 1], bFit ? topbox : boxf, xf, NULL, NULL);
+ write_trx(outh, nat, ind, topfile ? &(top.atoms) : nullptr,
+ 0, t[nf - 1], bFit ? topbox : boxf, xf, nullptr, nullptr);
}
}
/* Cycle all the pointer and the box by one */