X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;ds=sidebyside;f=src%2FMCview%2FPDBfile.java;h=3153e3c87101cf4e34817c59037110dcd9b1c622;hb=9816dd282fa1ec6731dd8afe6c4f255f6d0a2dd4;hp=26f1701d1cc2d654ab63b7594ddd4eec800760e9;hpb=c44b1974aea543db46790f6cb88f5ac0aae10a94;p=jalview.git diff --git a/src/MCview/PDBfile.java b/src/MCview/PDBfile.java index 26f1701..3153e3c 100755 --- a/src/MCview/PDBfile.java +++ b/src/MCview/PDBfile.java @@ -18,72 +18,41 @@ */ package MCview; -import java.io.*; +import jalview.datamodel.*; -import java.net.*; +import java.io.*; import java.util.*; import java.awt.Color; -public class PDBfile extends jalview.io.FileParse { - public Vector chains = new Vector(); - Vector lineArray = new Vector(); - String id; - - public PDBfile(String[] lines) { - for (int i = 0; i < lines.length; i++) - lineArray.addElement(lines[i]); - - noLines = lineArray.size(); - parse(); - } +public class PDBfile extends jalview.io.AlignFile { + public Vector chains; + public String id; - public PDBfile(String inFile, String inType) throws IOException { + public PDBfile(String inFile, String inType) throws IOException + { super(inFile, inType); + } - String line; - this.lineArray = new Vector(); - - BufferedReader dataIn; - - if (inType.equals("File")) { - dataIn = new BufferedReader(new FileReader(inFile)); - } - else if(inType.equals("Paste")) - { - dataIn = new BufferedReader(new StringReader(inFile)); - } - else { - URL url = new URL(inFile); - this.fileSize = 0; - dataIn = new BufferedReader(new InputStreamReader(url.openStream())); - } - - while ((line = dataIn.readLine()) != null) { - lineArray.addElement(line); - } - - noLines = lineArray.size(); - - parse(); - lineArray = null; + public String print() + { + return null; } - public void parse() + public void parse() throws IOException { + chains = new Vector(); + PDBChain tmpchain; String line; boolean modelFlag = false; boolean terFlag = false; - for (int i = 0; i < lineArray.size(); i++) + int index = 0; + while((line = nextLine())!=null) { - - line = lineArray.elementAt(i).toString(); - - if (line.indexOf("HEADER") == 0) { id = line.substring(62, 67).trim(); @@ -113,7 +82,6 @@ public class PDBfile extends jalview.io.FileParse { } Atom tmpatom = new Atom(line); - tmpchain = findChain(tmpatom.chain); if (tmpchain != null) { @@ -125,12 +93,36 @@ public class PDBfile extends jalview.io.FileParse { chains.addElement(tmpchain); tmpchain.atoms.addElement(tmpatom); } - } + index ++; } makeResidueList(); makeCaBondList(); + + if(id==null) + { + id = inFile.getName(); + } + for (int i = 0; i < chains.size(); i++) + { + SequenceI seq = ( (PDBChain) chains.elementAt(i)). + sequence; + seq.setName(id + "|" + seq.getName()); + Sequence dataset = new Sequence(seq. + getName(), + seq.getSequence().toString(), seq.getStart(), seq.getEnd()); + + PDBEntry entry = new PDBEntry(); + entry.setId(id); + if(inFile!=null) + entry.setFile(inFile.getAbsolutePath()); + + seq.setDatasetSequence(dataset); + dataset.addPDBId(entry); + + getSeqs().addElement(seq); + } } public void makeResidueList() {