Example #1
0
            public static Universe Build(IList <Tuple <Pdb, Namd.Psf> > lstPdbPsf, Namd.Prm prm, bool?ignore_neg_occupancy, IList <ITextLogger> lstLogger)
            {
                Universe univ = null;

                for (int i = 0; i < lstPdbPsf.Count; i++)
                {
                    var      pdb   = lstPdbPsf[i].Item1;
                    var      psf   = lstPdbPsf[i].Item2;
                    var      log   = lstLogger[i];
                    Universe luniv = Universe.BuilderNamd.Build(psf, prm, pdb, ignore_neg_occupancy, log);
                    if (univ == null)
                    {
                        univ = luniv;
                    }
                    else
                    {
                        univ = Universe.BuildUnionNamd(univ, luniv);
                    }
                }
                return(univ);
            }