*
* 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.
t_bundle *bun)
{
t_trxframe frout;
- static rvec *xout = NULL;
+ static rvec *xout = nullptr;
int i;
- if (xout == NULL)
+ if (xout == nullptr)
{
snew(xout, outat->nr);
}
frout.natoms = outat->nr;
frout.atoms = outat;
frout.x = xout;
- write_trxframe(status, &frout, NULL);
+ write_trxframe(status, &frout, nullptr);
}
int gmx_bundle(int argc, char *argv[])
"Use the [IT]z[it]-axis as reference instead of the average axis" }
};
FILE *flen, *fdist, *fz, *ftilt, *ftiltr, *ftiltl;
- FILE *fkink = NULL, *fkinkr = NULL, *fkinkl = NULL;
+ FILE *fkink = nullptr, *fkinkr = nullptr, *fkinkl = nullptr;
t_trxstatus *status;
t_trxstatus *fpdb;
t_topology top;
gmx_bool bKink;
rvec va, vb, vc, vr, vl;
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, ffREAD },
- { efNDX, NULL, NULL, ffOPTRD },
+ { efTRX, "-f", nullptr, ffREAD },
+ { efTPS, nullptr, nullptr, ffREAD },
+ { efNDX, nullptr, nullptr, ffOPTRD },
{ efXVG, "-ol", "bun_len", ffWRITE },
{ efXVG, "-od", "bun_dist", ffWRITE },
{ efXVG, "-oz", "bun_z", ffWRITE },
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_TIME_UNIT,
- NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
+ NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
- read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC, &xtop, NULL, box, TRUE);
+ read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC, &xtop, nullptr, box, TRUE);
bKink = opt2bSet("-ok", NFILE, fnm) || opt2bSet("-okr", NFILE, fnm)
|| opt2bSet("-okl", NFILE, fnm);
}
else
{
- fpdb = NULL;
+ fpdb = nullptr;
}
read_first_frame(oenv, &status, ftp2fn(efTRX, NFILE, fnm), &fr, TRX_NEED_X);