Exemplo n.º 1
0
        public static List <Tuple <Seqres, int> > UpdateSeqress(Element[] elements)
        {
            int[] collection = Collect(elements, Seqres.RecordName);
            List <Tuple <Seqres, int> > seqress = new List <Tuple <Seqres, int> >();

            foreach (int idx in collection)
            {
                string line   = elements[idx].line;
                Seqres seqres = Seqres.FromString(line);
                elements[idx] = seqres;
                seqress.Add(new Tuple <Seqres, int>(seqres, idx));
            }
            return(seqress);
        }
Exemplo n.º 2
0
            public static Element UpdateElement(string line)
            {
                line = (line + "                                                                                ").Substring(0, 80);
                if (Header.IsHeader(line))
                {
                    return(Header.FromString(line));                        // Title Section
                }
                if (Title.IsTitle(line))
                {
                    return(Title.FromString(line));                         // Title Section
                }
                if (Compnd.IsCompnd(line))
                {
                    return(Compnd.FromString(line));                        // Title Section
                }
                if (Source.IsSource(line))
                {
                    return(Source.FromString(line));                        // Title Section
                }
                if (Keywds.IsKeywds(line))
                {
                    return(Keywds.FromString(line));                        // Title Section
                }
                if (Expdta.IsExpdta(line))
                {
                    return(Expdta.FromString(line));                        // Title Section
                }
                if (Nummdl.IsNummdl(line))
                {
                    return(Nummdl.FromString(line));                        // Title Section
                }
                if (Author.IsAuthor(line))
                {
                    return(Author.FromString(line));                        // Title Section
                }
                if (Revdat.IsRevdat(line))
                {
                    return(Revdat.FromString(line));                        // Title Section
                }
                if (Jrnl.IsJrnl(line))
                {
                    return(Jrnl.FromString(line));                          // Title Section
                }
                if (Remark.IsRemark(line))
                {
                    return(Remark.FromString(line));                        // Title Section
                }
                if (Seqres.IsSeqres(line))
                {
                    return(Seqres.FromString(line));                        // Primary Structure Section
                }
                if (Seqadv.IsSeqadv(line))
                {
                    return(Seqadv.FromString(line));                        // Primary Structure Section
                }
                if (Helix.IsHelix(line))
                {
                    return(Helix.FromString(line));                         // Secondary Structure Section
                }
                if (Sheet.IsSheet(line))
                {
                    return(Sheet.FromString(line));                         // Secondary Structure Section
                }
                if (Site.IsSite(line))
                {
                    return(Site.FromString(line));                          // Miscellaneous Features Section
                }
                if (Cryst1.IsCryst1(line))
                {
                    return(Cryst1.FromString(line));                        // Crystallographic and Coordinate Transformation Section
                }
                if (Anisou.IsAnisou(line))
                {
                    return(Anisou.FromString(line));                        // Coordinate Section
                }
                if (Atom.IsAtom(line))
                {
                    return(Atom.FromString(line));                          // Coordinate Section
                }
                if (Endmdl.IsEndmdl(line))
                {
                    return(Endmdl.FromString(line));                        // Coordinate Section
                }
                if (Hetatm.IsHetatm(line))
                {
                    return(Hetatm.FromString(line));                        // Coordinate Section
                }
                if (Model.IsModel(line))
                {
                    return(Model.FromString(line));                         // Coordinate Section
                }
                if (Siguij.IsSiguij(line))
                {
                    return(Siguij.FromString(line));                        // Coordinate Section
                }
                if (Ter.IsTer(line))
                {
                    return(Ter.FromString(line));                           // Coordinate Section
                }
                if (Conect.IsConect(line))
                {
                    return(Conect.FromString(line));                        // Connectivity Section
                }
                if (Master.IsMaster(line))
                {
                    return(Master.FromString(line));                        // Bookkeeping Section
                }
                if (End.IsEnd(line))
                {
                    return(End.FromString(line));                           // Bookkeeping Section
                }
                if (line.Substring(0, 6) == "DBREF ")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SEQRES")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "MODRES")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "HET   ")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "HETNAM")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "FORMUL")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SSBOND")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "LINK  ")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "ORIGX1")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "ORIGX2")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "ORIGX3")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SCALE1")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SCALE2")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SCALE3")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "CISPEP")
                {
                    return(new Element(line));                                  // Connectivity Annotation Section
                }
                if (line.Substring(0, 6) == "HETSYN")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SEQADV")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SPRSDE")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "MTRIX1")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "MTRIX2")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "MTRIX3")
                {
                    return(new Element(line));
                }

                if (line.Substring(0, 6) == "MDLTYP")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SPLIT ")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "CAVEAT")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "OBSLTE")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "HYDBND")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SLTBRG")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "TVECT ")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "DBREF1")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "DBREF2")
                {
                    return(new Element(line));
                }
                if (line.Substring(0, 6) == "SIGATM")
                {
                    return(new Element(line));
                }

                HDebug.Assert(false);
                return(new Element(line));
            }