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}