/*
* Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
* Copyright (C) 2014 The Jalview Authors
*
* This file is part of Jalview.
*
* Jalview is free software: you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation, either version 3
* of the License, or (at your option) any later version.
*
* Jalview is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty
* of MERCHANTABILITY or FITNESS FOR A PARTICULAR
* PURPOSE. See the GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with Jalview. If not, see .
* The Jalview Authors are detailed in the 'AUTHORS' file.
*/
package jalview.ws.dbsources;
import jalview.datamodel.Alignment;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.DBRefEntry;
import jalview.datamodel.DBRefSource;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
import java.util.ArrayList;
import java.util.List;
import java.util.Vector;
import MCview.PDBChain;
import MCview.PDBfile;
import com.stevesoft.pat.Regex;
import jalview.datamodel.AlignmentI;
import jalview.io.FormatAdapter;
import jalview.util.MessageManager;
import jalview.ws.ebi.EBIFetchClient;
import jalview.ws.seqfetcher.DbSourceProxy;
/**
* @author JimP
*
*/
public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
{
public Pdb()
{
super();
addDbSourceProperty(DBRefSource.PROTSEQDB);
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getAccessionSeparator()
*/
public String getAccessionSeparator()
{
// TODO Auto-generated method stub
return null;
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getAccessionValidator()
*/
public Regex getAccessionValidator()
{
return new Regex("([1-9][0-9A-Za-z]{3}):?([ _A-Za-z0-9]?)");
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getDbSource()
*/
public String getDbSource()
{
return DBRefSource.PDB;
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getDbVersion()
*/
public String getDbVersion()
{
return "0";
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[])
*/
public AlignmentI getSequenceRecords(String queries) throws Exception
{
AlignmentI pdbfile = null;
Vector result = new Vector();
String chain = null;
String id = null;
if (queries.indexOf(":") > -1)
{
chain = queries.substring(queries.indexOf(":") + 1);
id = queries.substring(0, queries.indexOf(":"));
}
else
{
id = queries;
}
if (queries.length() > 4 && chain == null)
{
chain = queries.substring(4, 5);
id = queries.substring(0, 4);
}
if (!isValidReference(id))
{
System.err.println("Ignoring invalid pdb query: '" + id + "'");
stopQuery();
return null;
}
EBIFetchClient ebi = new EBIFetchClient();
file = ebi.fetchDataAsFile("pdb:" + id, "pdb", "raw").getAbsolutePath();
stopQuery();
if (file == null)
{
return null;
}
try
{
pdbfile = new FormatAdapter().readFile(file,
jalview.io.AppletFormatAdapter.FILE, "PDB");
if (pdbfile != null)
{
List toremove = new ArrayList();
for (SequenceI pdbcs : pdbfile.getSequences())
{
String chid = null;
// Mapping map=null;
for (PDBEntry pid : (Vector) pdbcs.getPDBId())
{
if (pid.getFile() == file)
{
chid = (String) pid.getProperty().get("CHAIN");
}
;
}
if (chain == null
|| (chid != null && (chid.equals(chain)
|| chid.trim().equals(chain.trim()) || (chain
.trim().length() == 0 && chid.equals("_")))))
{
pdbcs.setName(jalview.datamodel.DBRefSource.PDB + "|" + id
+ "|" + pdbcs.getName());
// Might need to add more metadata to the PDBEntry object
// like below
/*
* PDBEntry entry = new PDBEntry(); // Construct the PDBEntry
* entry.setId(id); if (entry.getProperty() == null)
* entry.setProperty(new Hashtable());
* entry.getProperty().put("chains", pdbchain.id + "=" +
* sq.getStart() + "-" + sq.getEnd());
* sq.getDatasetSequence().addPDBId(entry);
*/
// Add PDB DB Refs
// We make a DBRefEtntry because we have obtained the PDB file from
// a
// verifiable source
// JBPNote - PDB DBRefEntry should also carry the chain and mapping
// information
DBRefEntry dbentry = new DBRefEntry(getDbSource(),
getDbVersion(), (chid == null ? id : id + chid));
// dbentry.setMap()
pdbcs.addDBRef(dbentry);
}
else
{
// mark this sequence to be removed from the alignment
// - since it's not from the right chain
toremove.add(pdbcs);
}
}
// now remove marked sequences
for (SequenceI pdbcs : toremove)
{
pdbfile.deleteSequence(pdbcs);
if (pdbcs.getAnnotation()!=null)
{
for (AlignmentAnnotation aa: pdbcs.getAnnotation())
{
pdbfile.deleteAnnotation(aa);
}
}
}
}
if (pdbfile == null || pdbfile.getHeight() < 1)
{
throw new Exception(MessageManager.formatMessage("exception.no_pdb_records_for_chain", new String[]{id, ((chain == null) ? "' '" : chain)}));
}
} catch (Exception ex) // Problem parsing PDB file
{
stopQuery();
throw (ex);
}
return pdbfile;
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String)
*/
public boolean isValidReference(String accession)
{
Regex r = getAccessionValidator();
return r.search(accession.trim());
}
/**
* obtain human glyoxalase chain A sequence
*/
public String getTestQuery()
{
return "1QIPA";
}
public String getDbName()
{
return "PDB"; // getDbSource();
}
@Override
public int getTier()
{
return 0;
}
}