001/*
002 *                    BioJava development code
003 *
004 * This code may be freely distributed and modified under the
005 * terms of the GNU Lesser General Public Licence.  This should
006 * be distributed with the code.  If you do not have a copy,
007 * see:
008 *
009 *      http://www.gnu.org/copyleft/lesser.html
010 *
011 * Copyright for this code is held jointly by the individual
012 * authors.  These should be listed in @author doc comments.
013 *
014 * For more information on the BioJava project and its aims,
015 * or to join the biojava-l mailing list, visit the home page
016 * at:
017 *
018 *      http://www.biojava.org/
019 *
020 */
021package org.biojava.nbio.structure.symmetry.geometry;
022
023import javax.vecmath.AxisAngle4d;
024import javax.vecmath.Quat4d;
025
026/**
027 * Represents an even coverage of quaternion space by 60 points. This grid is
028 * defined by the vertices of one half of a hexacosichoron (600-cell). It
029 * approximates all possible orientations to within 44.48 degrees.
030 * @author Peter
031 */
032// This would be better named HexacosichoronSampler, since it's sampling 4D space. -SB
033public final class IcosahedralSampler {
034        private static Quat4d quat = new Quat4d();
035
036        // this class cannot be instantiated
037        private IcosahedralSampler() {
038        };
039
040        public static int getSphereCount() {
041                return orientations.length;
042        }
043
044        public static Quat4d getQuat4d(int index) {
045                Quat4d q = new Quat4d(orientations[index]); //ignores 5th element
046                return q;
047        }
048
049        public static void getAxisAngle(int index, AxisAngle4d axisAngle) {
050                quat.set(orientations[index]);
051                axisAngle.set(quat);
052        }
053
054        //      # Orientation set c600v, number = 60, radius = 44.48 degrees
055        //      # $Id: c600v.quat 6102 2006-02-21 19:45:40Z ckarney $
056        //      # For more information, eee http://charles.karney.info/orientation/
057        //      format quaternion
058        // The fifth column gives a weighting factor. Since the 600-cell is regular, all
059        // orientations cover an equal fraction of orientation space and have equal weight.
060        private static double[][] orientations = {
061        {1.000000000f, 0.000000000f, 0.000000000f, 0.000000000f, 1.000000f},
062        {0.000000000f, 1.000000000f, 0.000000000f, 0.000000000f, 1.000000f},
063        {0.000000000f, 0.000000000f, 1.000000000f, 0.000000000f, 1.000000f},
064        {0.000000000f, 0.000000000f, 0.000000000f, 1.000000000f, 1.000000f},
065        {0.000000000f, 0.500000000f, 0.309016994f, 0.809016994f, 1.000000f},
066        {0.000000000f, -0.500000000f, 0.309016994f, 0.809016994f, 1.000000f},
067        {0.000000000f, 0.500000000f, -0.309016994f, 0.809016994f, 1.000000f},
068        {-0.000000000f, -0.500000000f, -0.309016994f, 0.809016994f, 1.000000f},
069        {0.000000000f, 0.309016994f, 0.809016994f, 0.500000000f, 1.000000f},
070        {0.000000000f, -0.309016994f, 0.809016994f, 0.500000000f, 1.000000f},
071        {-0.000000000f, -0.309016994f, 0.809016994f, -0.500000000f, 1.000000f},
072        {0.000000000f, 0.309016994f, 0.809016994f, -0.500000000f, 1.000000f},
073        {0.000000000f, 0.809016994f, 0.500000000f, 0.309016994f, 1.000000f},
074        {-0.000000000f, 0.809016994f, -0.500000000f, -0.309016994f, 1.000000f},
075        {0.000000000f, 0.809016994f, -0.500000000f, 0.309016994f, 1.000000f},
076        {0.000000000f, 0.809016994f, 0.500000000f, -0.309016994f, 1.000000f},
077        {0.500000000f, 0.000000000f, 0.809016994f, 0.309016994f, 1.000000f},
078        {-0.500000000f, 0.000000000f, 0.809016994f, 0.309016994f, 1.000000f},
079        {-0.500000000f, -0.000000000f, 0.809016994f, -0.309016994f, 1.000000f},
080        {0.500000000f, 0.000000000f, 0.809016994f, -0.309016994f, 1.000000f},
081        {0.309016994f, 0.000000000f, 0.500000000f, 0.809016994f, 1.000000f},
082        {-0.309016994f, 0.000000000f, 0.500000000f, 0.809016994f, 1.000000f},
083        {0.309016994f, 0.000000000f, -0.500000000f, 0.809016994f, 1.000000f},
084        {-0.309016994f, -0.000000000f, -0.500000000f, 0.809016994f, 1.000000f},
085        {0.809016994f, 0.000000000f, 0.309016994f, 0.500000000f, 1.000000f},
086        {0.809016994f, -0.000000000f, -0.309016994f, -0.500000000f, 1.000000f},
087        {0.809016994f, 0.000000000f, -0.309016994f, 0.500000000f, 1.000000f},
088        {0.809016994f, 0.000000000f, 0.309016994f, -0.500000000f, 1.000000f},
089        {0.309016994f, 0.809016994f, 0.000000000f, 0.500000000f, 1.000000f},
090        {-0.309016994f, 0.809016994f, 0.000000000f, 0.500000000f, 1.000000f},
091        {-0.309016994f, 0.809016994f, -0.000000000f, -0.500000000f, 1.000000f},
092        {0.309016994f, 0.809016994f, 0.000000000f, -0.500000000f, 1.000000f},
093        {0.809016994f, 0.500000000f, 0.000000000f, 0.309016994f, 1.000000f},
094        {0.809016994f, -0.500000000f, -0.000000000f, -0.309016994f, 1.000000f},
095        {0.809016994f, -0.500000000f, 0.000000000f, 0.309016994f, 1.000000f},
096        {0.809016994f, 0.500000000f, 0.000000000f, -0.309016994f, 1.000000f},
097        {0.500000000f, 0.309016994f, 0.000000000f, 0.809016994f, 1.000000f},
098        {-0.500000000f, 0.309016994f, 0.000000000f, 0.809016994f, 1.000000f},
099        {0.500000000f, -0.309016994f, 0.000000000f, 0.809016994f, 1.000000f},
100        {-0.500000000f, -0.309016994f, -0.000000000f, 0.809016994f, 1.000000f},
101        {0.809016994f, 0.309016994f, 0.500000000f, 0.000000000f, 1.000000f},
102        {0.809016994f, -0.309016994f, -0.500000000f, -0.000000000f, 1.000000f},
103        {0.809016994f, -0.309016994f, 0.500000000f, 0.000000000f, 1.000000f},
104        {0.809016994f, 0.309016994f, -0.500000000f, 0.000000000f, 1.000000f},
105        {0.500000000f, 0.809016994f, 0.309016994f, 0.000000000f, 1.000000f},
106        {-0.500000000f, 0.809016994f, 0.309016994f, 0.000000000f, 1.000000f},
107        {-0.500000000f, 0.809016994f, -0.309016994f, -0.000000000f, 1.000000f},
108        {0.500000000f, 0.809016994f, -0.309016994f, 0.000000000f, 1.000000f},
109        {0.309016994f, 0.500000000f, 0.809016994f, 0.000000000f, 1.000000f},
110        {-0.309016994f, 0.500000000f, 0.809016994f, 0.000000000f, 1.000000f},
111        {0.309016994f, -0.500000000f, 0.809016994f, 0.000000000f, 1.000000f},
112        {-0.309016994f, -0.500000000f, 0.809016994f, -0.000000000f, 1.000000f},
113        {0.500000000f, 0.500000000f, 0.500000000f, 0.500000000f, 1.000000f},
114        {0.500000000f, -0.500000000f, -0.500000000f, -0.500000000f, 1.000000f},
115        {0.500000000f, -0.500000000f, 0.500000000f, 0.500000000f, 1.000000f},
116        {0.500000000f, 0.500000000f, -0.500000000f, 0.500000000f, 1.000000f},
117        {0.500000000f, 0.500000000f, 0.500000000f, -0.500000000f, 1.000000f},
118        {0.500000000f, 0.500000000f, -0.500000000f, -0.500000000f, 1.000000f},
119        {0.500000000f, -0.500000000f, 0.500000000f, -0.500000000f, 1.000000f},
120        {0.500000000f, -0.500000000f, -0.500000000f, 0.500000000f, 1.000000f},
121        };
122}