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 */
021/**
022 *
023 */
024package org.biojava.nbio.structure.symmetry.core;
025
026/**
027 * @author Peter
028 *
029 */
030public class QuatSymmetryScores {
031        private double minRmsd = 0;
032        private double maxRmsd = 0;
033        private double rmsd = 0;
034        private double minTm = 1;
035        private double maxTm = 1;
036        private double tm = 1;
037        private double rmsdCenters = 0;
038        private double rmsdIntra = 0;
039        private double tmIntra = 0;
040        private double symDeviation = 0;
041
042        /**
043         * @return the minRmsd
044         */
045        public double getMinRmsd() {
046                return minRmsd;
047        }
048        /**
049         * @param minRmsd the minRmsd to set
050         */
051        public void setMinRmsd(double minRmsd) {
052                this.minRmsd = minRmsd;
053        }
054        /**
055         * @return the maxRmsd
056         */
057        public double getMaxRmsd() {
058                return maxRmsd;
059        }
060        /**
061         * @param maxRmsd the maxRmsd to set
062         */
063        public void setMaxRmsd(double maxRmsd) {
064                this.maxRmsd = maxRmsd;
065        }
066        /**
067         * @return the rmsd
068         */
069        public double getRmsd() {
070                return rmsd;
071        }
072        /**
073         * @param rmsd the rmsd to set
074         */
075        public void setRmsd(double rmsd) {
076                this.rmsd = rmsd;
077        }
078        /**
079         * @return the minTm
080         */
081        public double getMinTm() {
082                return minTm;
083        }
084        /**
085         * @param minTm the minTm to set
086         */
087        public void setMinTm(double minTm) {
088                this.minTm = minTm;
089        }
090        /**
091         * @return the maxTm
092         */
093        public double getMaxTm() {
094                return maxTm;
095        }
096        /**
097         * @param maxTm the maxTm to set
098         */
099        public void setMaxTm(double maxTm) {
100                this.maxTm = maxTm;
101        }
102        /**
103         * @return the tm
104         */
105        public double getTm() {
106                return tm;
107        }
108        /**
109         * @param tm the tm to set
110         */
111        public void setTm(double tm) {
112                this.tm = tm;
113        }
114        /**
115         * @return the rmsdCenters
116         */
117        public double getRmsdCenters() {
118                return rmsdCenters;
119        }
120        /**
121         * @param rmsdCenters the rmsdCenters to set
122         */
123        public void setRmsdCenters(double rmsdCenters) {
124                this.rmsdCenters = rmsdCenters;
125        }
126
127        /**
128         * @return the rmsdIntra
129         */
130        public double getRmsdIntra() {
131                return rmsdIntra;
132        }
133        /**
134         * @param rmsdIntra the rmsdIntra to set
135         */
136        public void setRmsdIntra(double rmsdIntra) {
137                this.rmsdIntra = rmsdIntra;
138        }
139        /**
140         * @return the tmIntra
141         */
142        public double getTmIntra() {
143                return tmIntra;
144        }
145        /**
146         * @param tmIntra the tmIntra to set
147         */
148        public void setTmIntra(double tmIntra) {
149                this.tmIntra = tmIntra;
150        }
151        /**
152         * @return the symDeviation
153         */
154        public double getSymDeviation() {
155                return symDeviation;
156        }
157        /**
158         * @param symDeviation the symDeviation to set
159         */
160        public void setSymDeviation(double symDeviation) {
161                this.symDeviation = symDeviation;
162        }
163        @Override
164        public String toString() {
165                StringBuilder sb = new StringBuilder();
166                sb.append("minimum RMSD: ");
167                sb.append(getMinRmsd());
168                sb.append("\n");
169                sb.append("maximum RMSD: ");
170                sb.append(getMaxRmsd());
171                sb.append("\n");
172                sb.append("RMSD        : ");
173                sb.append(getRmsd());
174                sb.append("\n");
175                sb.append("minimum TM  : ");
176                sb.append(getMinTm());
177                sb.append("\n");
178                sb.append("maximum TM  : ");
179                sb.append(getMaxTm());
180                sb.append("\n");
181                sb.append("TM          : ");
182                sb.append(getTm());
183                sb.append("\n");
184                sb.append("center RMSD: ");
185                sb.append(getRmsdCenters());
186                sb.append("\n");
187
188                return sb.toString();
189        }
190}