org.biojava.nbio.structure.align.gui.MultipleAlignmentCalc Maven / Gradle / Ivy
/*
* 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 16, 2006
*
*/
package org.biojava.nbio.structure.align.gui;
import java.util.ArrayList;
import java.util.List;
import org.biojava.nbio.structure.Atom;
import org.biojava.nbio.structure.Structure;
import org.biojava.nbio.structure.StructureException;
import org.biojava.nbio.structure.StructureIdentifier;
import org.biojava.nbio.structure.StructureTools;
import org.biojava.nbio.structure.align.MultipleStructureAligner;
import org.biojava.nbio.structure.align.multiple.MultipleAlignment;
import org.slf4j.Logger;
import org.slf4j.LoggerFactory;
/**
* A class that obtains structures via DAS and aligns them.
* This is done in a separate thread.
* It is possible to register Event listeners to get notification of when
* the download has finished.
*
* @author Aleix Lafita
* @since 4.2.0
*
*/
public class MultipleAlignmentCalc implements AlignmentCalculationRunnable {
private static final Logger logger =
LoggerFactory.getLogger(MultipleAlignmentCalc.class);
private List names;
private List structures;
private MultipleAlignmentGUI parent;
/**
* Requests an alignment of the pdbs.
* If they are empty strings, they are ignored.
*
* @param parent the gui frame that interacts with this class
* @param structures
* @param names
*/
public MultipleAlignmentCalc(MultipleAlignmentGUI parent,
List structures, List names) {
this.parent= parent;
this.structures = structures;
this.names = names;
}
@Override
public void run() {
MultipleStructureAligner algorithm =
parent.getMultipleStructureAligner();
try {
List atomArrays = new ArrayList();
for (Structure s:structures){
Atom[] ca = StructureTools.getRepresentativeAtomArray(s);
atomArrays.add(ca);
}
MultipleAlignment msa = algorithm.align(atomArrays);
msa.getEnsemble().setStructureIdentifiers(names);
MultipleAlignmentJmolDisplay.display(msa);
} catch (StructureException e) {
e.printStackTrace();
logger.warn(e.getMessage());
}
parent.notifyCalcFinished();
}
@Override
public void interrupt() {}
@Override
public void cleanup() {
parent.notifyCalcFinished();
parent=null;
structures = null;
names = null;
}
@Override
public void setNrCPUs(int useNrCPUs) {
// TODO Auto-generated method stub
}
}