/*
 *                  BioJava development code
 *
 * This code may be freely distributed and modified under the
 * terms of the GNU Lesser General Public Licence.  This should
 * be distributed with the code.  If you do not have a copy,
 * see:
 *
 *      http://www.gnu.org/copyleft/lesser.html
 *
 * Copyright for this code is held jointly by the individual
 * authors.  These should be listed in @author doc comments.
 *
 * For more information on the BioJava project and its aims,
 * or to join the biojava-l mailing list, visit the home page
 * at:
 *
 *      http://www.biojava.org/
 * 
 * Created on Jul 26, 2007
 * 
 */

package org.biojava.bio.structure;

import java.io.IOException;
import java.io.InputStream;
import java.util.List;

import org.biojava.bio.structure.io.PDBFileParser;

import junit.framework.TestCase;


public class PdbFileFormat30Test extends TestCase {

	

	protected void setUp(){
	
	}

	/** there is a file format change in v3.0 of the PDB file format
	 * this test makes sure that the atom name changes are being processed correctly 
	 * 
	 *
	 */
	public void testRead30File(){
		Structure s = getStructure("/files/388d_v30.pdb");
		int nrNuc = getNrNucleotides(s);
		
		// there are 4 nucleotides less in the new version
		// some chemically modified nucleotides residues have been declared to be HETATOMS 
		
		int shouldNr = 20;
		assertEquals("structure does not contain the right number of nucleotides ", shouldNr ,nrNuc);	
		
		Structure s2 = getStructure("/files/104D_v30.pdb");		
		
		int nrNuc2 = getNrNucleotides(s2);		
		int shouldNr2 = 24;
		assertEquals("structure does not contain the right number of nucleotides ", shouldNr2 , nrNuc2);	
		
		List<Compound> compounds= s.getCompounds();
		assertTrue(compounds.size() == 1);
		Compound mol = compounds.get(0);		
		assertTrue(mol.getMolName().startsWith("DNA"));
		
	}
	
	public void testRead23File(){
		
		Structure s = getStructure("/files/388d_v23.pdb");
		int nrNuc = getNrNucleotides(s);		
		int shouldNr = 24;
		assertEquals("structure does not contain the right number of nucleotides ", shouldNr , nrNuc);	
				
		Structure s2 = getStructure("/files/104D_v23.pdb");	
		
		int nrNuc2 = getNrNucleotides(s2);		
		int shouldNr2 = 24;
		assertEquals("structure does not contain the right number of nucleotides ", shouldNr2 , nrNuc2);	
		
		List<Compound> compounds= s.getCompounds();
		assertTrue(compounds.size() == 1);
		Compound mol = compounds.get(0);
		
		assertTrue(mol.getMolName().startsWith("DNA"));
	}
	
	private Structure getStructure(String fileName){
		
		InputStream inStream = this.getClass().getResourceAsStream(fileName);
		assertNotNull(inStream);
		
		PDBFileParser pdbpars = new PDBFileParser();
		pdbpars.setAlignSeqRes(false);
		Structure structure = null;
		try {
			structure = pdbpars.parsePDBFile(inStream) ;
		} catch (IOException e) {
			e.printStackTrace();
		}
		return structure;
	}
	
	private int getNrNucleotides(Structure s){
		GroupIterator iter = new GroupIterator(s);
		int nr = 0;
		while(iter.hasNext()){
			Group g = (Group) iter.next();
			
			if (g.getType().equals("nucleotide")){
				nr ++;
			} else {
				//System.out.println(g.getType() + g.getPDBName());
			}
			
		}
		return nr;
	}

    
}