npargs = asize(pa);
ppa = add_acf_pargs(&npargs, pa);
- if (!parse_common_args(&argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME, NFILE, fnm, npargs, ppa,
- asize(desc), desc, asize(bugs), bugs, &oenv))
+ if (!parse_common_args(
+ &argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME, NFILE, fnm, npargs, ppa, asize(desc), desc, asize(bugs), bugs, &oenv))
{
sfree(ppa);
return 0;
gmx_fatal(FARGS,
"number of index elements not multiple of %d, "
"these can not be %s\n",
- mult, (mult == 3) ? "angle triplets" : "dihedral quadruplets");
+ mult,
+ (mult == 3) ? "angle triplets" : "dihedral quadruplets");
}
snew(angstat, maxangstat);
- read_ang_dih(ftp2fn(efTRX, NFILE, fnm), (mult == 3),
- bALL || bCorr || bTrans || opt2bSet("-or", NFILE, fnm), bRb, bPBC, maxangstat,
- angstat, &nframes, &time, isize, index, &trans_frac, &aver_angle, dih, oenv);
+ read_ang_dih(ftp2fn(efTRX, NFILE, fnm),
+ (mult == 3),
+ bALL || bCorr || bTrans || opt2bSet("-or", NFILE, fnm),
+ bRb,
+ bPBC,
+ maxangstat,
+ angstat,
+ &nframes,
+ &time,
+ isize,
+ index,
+ &trans_frac,
+ &aver_angle,
+ dih,
+ oenv);
dt = (time[nframes - 1] - time[0]) / (nframes - 1);
if (bTrans)
{
- ana_dih_trans(opt2fn("-ot", NFILE, fnm), opt2fn("-oh", NFILE, fnm), dih, nframes, nangles,
- grpname, time, bRb, oenv);
+ ana_dih_trans(
+ opt2fn("-ot", NFILE, fnm), opt2fn("-oh", NFILE, fnm), dih, nframes, nangles, grpname, time, bRb, oenv);
}
if (bCorr)
{
mode = eacCos;
}
- do_autocorr(opt2fn("-oc", NFILE, fnm), oenv, "Dihedral Autocorrelation Function",
- nframes, nangles, dih, dt, mode, bAverCorr);
+ do_autocorr(opt2fn("-oc", NFILE, fnm),
+ oenv,
+ "Dihedral Autocorrelation Function",
+ nframes,
+ nangles,
+ dih,
+ dt,
+ mode,
+ bAverCorr);
}
}