/*
 *                    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/
 *
 */
package org.biojava.nbio.structure.align.quaternary;

import java.util.ArrayList;
import java.util.Collections;
import java.util.List;
import java.util.Map;
import java.util.stream.Collectors;

import javax.vecmath.Matrix4d;

import org.biojava.nbio.structure.Atom;
import org.biojava.nbio.structure.align.multiple.MultipleAlignment;
import org.biojava.nbio.structure.align.multiple.util.MultipleAlignmentScorer;
import org.biojava.nbio.structure.cluster.Subunit;
import org.biojava.nbio.structure.cluster.SubunitCluster;

/**
 * Result of a Quaternary Structure Alignment {@link QsAlign}. The QsAlignResult
 * holds the original inputs of the algorithm and the results and scores of the
 * alignment.
 * 
 * @author Aleix Lafita
 * @since 5.0.0
 *
 */
public class QsAlignResult {

        private List<SubunitCluster> clusters;

        private List<Subunit> subunits1;
        private List<Subunit> subunits2;

        private Map<Integer, Integer> subunitMap;
        private MultipleAlignment alignment;

        private QsRelation relation;

        /**
         * The Constructor of the result takes the same inputs as the
         * {@link QsAlign} algorithm.
         * 
         * @param subunits1
         * @param subunits2
         */
        public QsAlignResult(List<Subunit> subunits1, List<Subunit> subunits2) {

                this.subunits1 = subunits1;
                this.subunits2 = subunits2;

                subunitMap = Collections.emptyMap();
                relation = QsRelation.DIFFERENT;

        }

        /**
         * Original Subunits of the first group.
         * 
         * @return an unmodifiable view of the original List
         */
        public List<Subunit> getSubunits1() {
                return Collections.unmodifiableList(subunits1);
        }

        /**
         * Original Subunits of the second group.
         * 
         * @return an unmodifiable view of the original List
         */
        public List<Subunit> getSubunits2() {
                return Collections.unmodifiableList(subunits2);
        }

        /**
         * Map of Subunit equivalencies from the first to the second group.
         * 
         * @return an unmodifiable view of the original Map
         */
        public Map<Integer, Integer> getSubunitMap() {

                if (subunitMap == null)
                        return Collections.emptyMap();

                return Collections.unmodifiableMap(subunitMap);
        }

        /**
         * Map of Subunit equivalencies from the first to the second group.
         * 
         * @param subunitMap
         */
        public void setSubunitMap(Map<Integer, Integer> subunitMap) {

                // Check consistency of the map
                if (Collections.max(subunitMap.keySet()) > subunits1.size()
                                | Collections.max(subunitMap.values()) > subunits2.size())
                        throw new IndexOutOfBoundsException(
                                        "Subunit Map index higher than Subunit List size.");

                // Update the relation enum
                if (subunitMap.size() == 0) {
                        relation = QsRelation.DIFFERENT;
                } else if (subunitMap.keySet().size() == subunits1.size()) {
                        if (subunitMap.values().size() == subunits2.size()) {
                                relation = QsRelation.EQUIVALENT;
                        } else {
                                relation = QsRelation.PARTIAL_COMPLETE;
                        }
                } else {
                        if (subunitMap.values().size() == subunits2.size()) {
                                relation = QsRelation.PARTIAL_COMPLETE;
                        } else {
                                relation = QsRelation.PARTIAL_INCOMPLETE;
                        }
                }

                this.subunitMap = subunitMap;
        }

        /**
         * The length of the alignment is the number of Subunit equivalencies it
         * contains. This is equivalent to the size of the Subunit Map.
         * 
         * @return length of the alignment
         */
        public int length() {
                if (subunitMap == null)
                        return 0;

                return subunitMap.size();
        }

        /**
         * The transformation 4D matrix that needs to be applied to the second group
         * of Subunits to superimpose them onto the first group of Subunits, given
         * the equivalent residues in the SubunitCluster and the Subunit
         * equivalencies.
         * <p>
         * This is equivalent to
         * multipleAlignment.getBlockSet(0).getTransformations().get(1).
         * 
         * @return Matrix4d
         */
        public Matrix4d getTransform() {

                if (alignment == null)
                        return null;

                return alignment.getBlockSet(0).getTransformations().get(1);
        }

        /**
         * The RMSD between the equivalent residues of the equivalent Subunits after
         * superposition of the Subunit groups. This is equivalent to
         * multipleAlignment.getScore(MultipleAlignmentScorer.RMSD).
         * 
         * @return rmsd
         */
        public double getRmsd() {

                if (alignment == null)
                        return -1.0;
                if (alignment.getScore(MultipleAlignmentScorer.RMSD) == null)
                        return MultipleAlignmentScorer.getRMSD(alignment);

                return alignment.getScore(MultipleAlignmentScorer.RMSD);
        }

        /**
         * The quaternary structure relation {@link QsRelation} between the two
         * groups of Subunits.
         * 
         * @return relation
         */
        public QsRelation getRelation() {
                return relation;
        }

        /**
         * The quaternary structure relation {@link QsRelation} between the two
         * groups of Subunits.
         * 
         * @param relation
         */
        public void setRelation(QsRelation relation) {
                this.relation = relation;
        }

        /**
         * The alignment that specifies the residue equivalencies of the equivalent
         * Subunits.
         * 
         * @return alignment as a MultipleAlignment object
         */
        public MultipleAlignment getAlignment() {
                return alignment;
        }

        /**
         * The alignment that specifies the residue equivalencies of the equivalent
         * Subunits.
         * 
         * @param alignment
         *            a MultipleAlignment object
         */
        public void setAlignment(MultipleAlignment alignment) {
                this.alignment = alignment;
        }

        /**
         * Return the aligned subunits of the first Subunit group, in the alignment
         * order.
         * 
         * @return a List of Subunits in the alignment order
         */
        public List<Subunit> getAlignedSubunits1() {

                List<Subunit> aligned = new ArrayList<Subunit>(subunitMap.size());

                for (Integer key : subunitMap.keySet())
                        aligned.add(subunits1.get(key));

                return aligned;
        }

        /**
         * Return the aligned subunits of the second Subunit group, in the alignment
         * order.
         * 
         * @return a List of Subunits in the alignment order
         */
        public List<Subunit> getAlignedSubunits2() {

                List<Subunit> aligned = new ArrayList<Subunit>(subunitMap.size());

                for (Integer key : subunitMap.keySet())
                        aligned.add(subunits2.get(subunitMap.get(key)));

                return aligned;
        }

        public void setClusters(List<SubunitCluster> clusters) {
                this.clusters = clusters;
        }

        public Atom[] getAlignedAtomsForSubunits1(int index) {

                // Obtain the indices of the clustered subunits
                for (SubunitCluster cluster : clusters) {
                        if (cluster.getSubunits().contains(subunits1.get(index))) {
                                return cluster.getAlignedAtomsSubunit(cluster.getSubunits()
                                                .indexOf(subunits1.get(index)));
                        }
                }
                return null;
        }

        public Atom[] getAlignedAtomsForSubunits2(int index) {

                // Obtain the indices of the clustered subunits
                for (SubunitCluster cluster : clusters) {
                        if (cluster.getSubunits().contains(subunits2.get(index))) {
                                return cluster.getAlignedAtomsSubunit(cluster.getSubunits()
                                                .indexOf(subunits2.get(index)));
                        }
                }
                return null;
        }

        @Override
        public String toString() {
                return "QsAlignResult [relation="
                                + relation
                                + ", rmsd="
                                + getRmsd()
                                + ", length="
                                + length()
                                + ", Aligned 1: "
                                + getAlignedSubunits1().stream().map(s -> s.getName())
                                                .collect(Collectors.toList())
                                + ", Aligned 2: "
                                + getAlignedSubunits2().stream().map(s -> s.getName())
                                                .collect(Collectors.toList()) + "]";
        }

}