/*
 *                    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.symmetry.core;

import org.biojava.nbio.structure.Atom;
import org.biojava.nbio.structure.Chain;
import org.biojava.nbio.structure.cluster.SubunitCluster;
import org.biojava.nbio.structure.geometry.CalcPoint;
import org.biojava.nbio.structure.geometry.MomentsOfInertia;
import org.biojava.nbio.structure.symmetry.utils.SymmetryTools;

import javax.vecmath.Point3d;
import javax.vecmath.Vector3d;

import java.util.*;
import java.util.stream.Collectors;

/**
 * A bean to represent information about the set of {@link Subunit} being
 * considered for symmetry detection. This class is a helper for the
 * {@link QuatSymmetryDetector} algorithm, since it calculates and caches the
 * {@link MomentsOfInertia} and the centroids of each Subunit.
 * 
 * @author Peter Rose
 * @author Aleix Lafita
 * 
 */
public class QuatSymmetrySubunits {

        private List<Point3d[]> caCoords = new ArrayList<Point3d[]>();
        private List<Point3d> originalCenters = new ArrayList<Point3d>();
        private List<Point3d> centers = new ArrayList<Point3d>();
        private List<Vector3d> unitVectors = new ArrayList<Vector3d>();

        private List<Integer> folds = new ArrayList<Integer>();
        private List<Integer> clusterIds = new ArrayList<Integer>();
        private List<SubunitCluster> clusters;

        private Point3d centroid;
        private MomentsOfInertia momentsOfInertia = new MomentsOfInertia();

        /**
         * Converts the List of {@link SubunitCluster} to a Subunit object.
         * 
         * @param clusters
         *            List of SubunitCluster
         */
        public QuatSymmetrySubunits(List<SubunitCluster> clusters) {

                this.clusters = clusters;

                // Loop through all subunits in the clusters and fill Lists
                for (int c = 0; c < clusters.size(); c++) {

                        for (int s = 0; s < clusters.get(c).size(); s++) {

                                clusterIds.add(c);
                                Atom[] atoms = clusters.get(c).getAlignedAtomsSubunit(s);

                                // Convert atoms to points
                                Point3d[] points = new Point3d[atoms.length];
                                for (int i = 0; i < atoms.length; i++)
                                        points[i] = atoms[i].getCoordsAsPoint3d();

                                caCoords.add(points);
                        }
                }

                // List number of members in each cluster
                List<Integer> stoichiometries = clusters.stream().map(c -> c.size())
                                .collect(Collectors.toList());
                folds = SymmetryTools.getValidFolds(stoichiometries);
        }

        public List<Point3d[]> getTraces() {
                return caCoords;
        }

        public List<Integer> getClusterIds() {
                return clusterIds;
        }

        /**
         * This method is provisional and should only be used for coloring Subunits.
         * A new coloring schema has to be implemented to allow the coloring of
         * Subunits, without implying one Subunit = one Chain.
         * 
         * @return A List of the Chain Ids of each Subunit
         */
        public List<String> getChainIds() {
                
                List<String> chains = new ArrayList<String>(getSubunitCount());

                // Loop through all subunits in the clusters and fill Lists
                for (int c = 0; c < clusters.size(); c++) {
                        for (int s = 0; s < clusters.get(c).size(); s++)
                                chains.add(clusters.get(c).getSubunits().get(s).getName());
                }
                
                return chains;
        }

        /**
         * This method is provisional and should only be used for coloring Subunits.
         * A new coloring schema has to be implemented to allow the coloring of
         * Subunits, without implying one Subunit = one Chain.
         * 
         * @return A List of the Model number of each Subunit
         */
        public List<Integer> getModelNumbers() {
                
                List<Integer> models = new ArrayList<Integer>(getSubunitCount());

                // Loop through all subunits in the clusters and fill Lists
                for (int c = 0; c < clusters.size(); c++) {
                        for (int s = 0; s < clusters.get(c).size(); s++) {

                                Atom[] atoms = clusters.get(c).getAlignedAtomsSubunit(s);

                                // TODO guess them chain and model (very ugly)
                                Chain chain = atoms[0].getGroup().getChain();

                                int model = 0;
                                for (int m = 0; m < chain.getStructure().nrModels(); m++) {
                                        if (chain.getStructure().getModel(m).contains(chain)) {
                                                model = m;
                                                break;
                                        }
                                }
                                models.add(model);
                        }
                }
                return models;
        }

        public int getSubunitCount() {
                run();
                if (centers == null) {
                        return 0;
                }
                return centers.size();
        }

        public List<Integer> getFolds() {
                return folds;
        }

        public int getCalphaCount() {
                int count = 0;
                for (Point3d[] trace : caCoords) {
                        count += trace.length;
                }
                return count;
        }

        public int getLargestSubunit() {
                int index = -1;
                int maxLength = 0;
                for (int i = 0; i < caCoords.size(); i++) {
                        int length = caCoords.get(i).length;
                        if (length > maxLength) {
                                index = i;
                        }
                }
                return index;
        }

        public List<Point3d> getCenters() {
                run();
                return centers;
        }

        public List<Vector3d> getUnitVectors() {
                run();
                return unitVectors;
        }

        public List<Point3d> getOriginalCenters() {
                run();
                return originalCenters;
        }

        public Point3d getCentroid() {
                run();
                return centroid;
        }

        public MomentsOfInertia getMomentsOfInertia() {
                run();
                return momentsOfInertia;
        }

        private void run() {
                if (centers.size() > 0) {
                        return;
                }
                calcOriginalCenters();
                calcCentroid();
                calcCenters();
                calcMomentsOfIntertia();
        }

        private void calcOriginalCenters() {
                for (Point3d[] trace : caCoords) {
                        Point3d com = CalcPoint.centroid(trace);
                        originalCenters.add(com);
                }
        }

        private void calcCentroid() {
                Point3d[] orig = originalCenters.toArray(new Point3d[originalCenters
                                .size()]);
                centroid = CalcPoint.centroid(orig);
        }

        private void calcCenters() {
                for (Point3d p : originalCenters) {
                        Point3d c = new Point3d(p);
                        c.sub(centroid);
                        centers.add(c);
                        Vector3d v = new Vector3d(c);
                        v.normalize();
                        unitVectors.add(v);
                }
        }

        public Point3d getLowerBound() {
                Point3d lower = new Point3d();
                for (Point3d p : centers) {
                        if (p.x < lower.x) {
                                lower.x = p.x;
                        }
                        if (p.y < lower.y) {
                                lower.y = p.y;
                        }
                        if (p.z < lower.z) {
                                lower.z = p.z;
                        }
                }
                return lower;
        }

        public Point3d getUpperBound() {
                Point3d upper = new Point3d();
                for (Point3d p : centers) {
                        if (p.x > upper.x) {
                                upper.x = p.x;
                        }
                        if (p.y > upper.y) {
                                upper.y = p.y;
                        }
                        if (p.z > upper.z) {
                                upper.z = p.z;
                        }
                }
                return upper;
        }

        private void calcMomentsOfIntertia() {
                for (Point3d[] trace : caCoords) {
                        for (Point3d p : trace) {
                                momentsOfInertia.addPoint(p, 1.0f);
                        }
                }
        }

}