| Class | Line # | Actions | |||
|---|---|---|---|---|---|
| ContactMatrix | 29 | 77 | 39 |
| 1 | /* | |
| 2 | * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) | |
| 3 | * Copyright (C) $$Year-Rel$$ The Jalview Authors | |
| 4 | * | |
| 5 | * This file is part of Jalview. | |
| 6 | * | |
| 7 | * Jalview is free software: you can redistribute it and/or | |
| 8 | * modify it under the terms of the GNU General Public License | |
| 9 | * as published by the Free Software Foundation, either version 3 | |
| 10 | * of the License, or (at your option) any later version. | |
| 11 | * | |
| 12 | * Jalview is distributed in the hope that it will be useful, but | |
| 13 | * WITHOUT ANY WARRANTY; without even the implied warranty | |
| 14 | * of MERCHANTABILITY or FITNESS FOR A PARTICULAR | |
| 15 | * PURPOSE. See the GNU General Public License for more details. | |
| 16 | * | |
| 17 | * You should have received a copy of the GNU General Public License | |
| 18 | * along with Jalview. If not, see <http://www.gnu.org/licenses/>. | |
| 19 | * The Jalview Authors are detailed in the 'AUTHORS' file. | |
| 20 | */ | |
| 21 | package jalview.datamodel; | |
| 22 | ||
| 23 | import java.util.ArrayList; | |
| 24 | import java.util.List; | |
| 25 | import java.util.StringTokenizer; | |
| 26 | ||
| 27 | import jalview.bin.Console; | |
| 28 | ||
| 29 | public abstract class ContactMatrix extends GroupSetHolder | |
| 30 | implements ContactMatrixI | |
| 31 | { | |
| 32 | /** | |
| 33 | * are contacts reflexive ? | |
| 34 | */ | |
| 35 | boolean symmetric = true; | |
| 36 | ||
| 37 | 0 | public ContactMatrix(boolean symmetric) |
| 38 | { | |
| 39 | 0 | this.symmetric = symmetric; |
| 40 | } | |
| 41 | ||
| 42 | List<List<Float>> contacts = null; | |
| 43 | ||
| 44 | int width = 0, numcontacts = 0; | |
| 45 | ||
| 46 | float min = 0f, max = 0f; | |
| 47 | ||
| 48 | 0 | public void addContact(int left, int right, float strength) |
| 49 | { | |
| 50 | 0 | if (left < 0 || right < 0) |
| 51 | { | |
| 52 | 0 | throw new Error(new RuntimeException( |
| 53 | "Cannot have negative indices for contact left=" + left | |
| 54 | + " right=" + right + " strength=" + strength)); | |
| 55 | } | |
| 56 | 0 | if (symmetric) |
| 57 | { | |
| 58 | 0 | if (left > right) |
| 59 | { | |
| 60 | // swap | |
| 61 | 0 | int r = right; |
| 62 | 0 | right = left; |
| 63 | 0 | left = r; |
| 64 | } | |
| 65 | } | |
| 66 | 0 | if (contacts == null) |
| 67 | { | |
| 68 | // TODO: use sparse list for efficiency ? | |
| 69 | 0 | contacts = new ArrayList<List<Float>>(); |
| 70 | } | |
| 71 | 0 | List<Float> clist = contacts.get(left); |
| 72 | 0 | if (clist == null) |
| 73 | { | |
| 74 | 0 | clist = new ArrayList<Float>(); |
| 75 | 0 | contacts.set(left, clist); |
| 76 | } | |
| 77 | 0 | Float last = clist.set(right, strength); |
| 78 | // TODO: if last is non null, may need to recompute range | |
| 79 | 0 | checkBounds(strength); |
| 80 | 0 | if (last == null) |
| 81 | { | |
| 82 | 0 | numcontacts++; |
| 83 | } | |
| 84 | } | |
| 85 | ||
| 86 | 0 | private void checkBounds(float strength) |
| 87 | { | |
| 88 | 0 | if (min > strength) |
| 89 | { | |
| 90 | 0 | min = strength; |
| 91 | } | |
| 92 | 0 | if (max < strength) |
| 93 | { | |
| 94 | 0 | max = strength; |
| 95 | } | |
| 96 | } | |
| 97 | ||
| 98 | 0 | @Override |
| 99 | public ContactListI getContactList(final int column) | |
| 100 | { | |
| 101 | 0 | if (column < 0 || column >= width) |
| 102 | { | |
| 103 | 0 | return null; |
| 104 | } | |
| 105 | ||
| 106 | 0 | return new ContactListImpl(new ContactListProviderI() |
| 107 | { | |
| 108 | int p = column; | |
| 109 | ||
| 110 | 0 | @Override |
| 111 | public int getPosition() | |
| 112 | { | |
| 113 | 0 | return p; |
| 114 | } | |
| 115 | ||
| 116 | 0 | @Override |
| 117 | public int getContactHeight() | |
| 118 | { | |
| 119 | 0 | return width; |
| 120 | ||
| 121 | } | |
| 122 | ||
| 123 | 0 | @Override |
| 124 | public double getContactAt(int column) | |
| 125 | { | |
| 126 | 0 | Float cl = getFloatElementAt(column, p); |
| 127 | 0 | if (cl == null) |
| 128 | { | |
| 129 | // return 0 not NaN ? | |
| 130 | 0 | return Double.NaN; |
| 131 | } | |
| 132 | 0 | return cl.doubleValue(); |
| 133 | } | |
| 134 | }); | |
| 135 | } | |
| 136 | ||
| 137 | 0 | private Float getFloatElementAt(int column, int p) |
| 138 | { | |
| 139 | ||
| 140 | 0 | List<Float> clist; |
| 141 | 0 | Float cl = null; |
| 142 | 0 | if (symmetric) |
| 143 | { | |
| 144 | 0 | if (p < column) |
| 145 | { | |
| 146 | 0 | clist = contacts.get(p); |
| 147 | 0 | cl = clist.get(column); |
| 148 | } | |
| 149 | else | |
| 150 | { | |
| 151 | 0 | clist = contacts.get(column); |
| 152 | 0 | cl = clist.get(p); |
| 153 | } | |
| 154 | } | |
| 155 | else | |
| 156 | { | |
| 157 | 0 | clist = contacts.get(p); |
| 158 | 0 | cl = clist.get(column); |
| 159 | } | |
| 160 | 0 | return cl; |
| 161 | } | |
| 162 | ||
| 163 | 0 | @Override |
| 164 | public double getElementAt(int column, int row) | |
| 165 | { | |
| 166 | 0 | Float cl = getFloatElementAt(column, row); |
| 167 | 0 | if (cl != null) |
| 168 | { | |
| 169 | 0 | return cl; |
| 170 | } | |
| 171 | 0 | throw (new RuntimeException("Out of Bounds " + column + "," + row)); |
| 172 | } | |
| 173 | ||
| 174 | 0 | @Override |
| 175 | public float getMin() | |
| 176 | { | |
| 177 | 0 | return min; |
| 178 | } | |
| 179 | ||
| 180 | 0 | @Override |
| 181 | public float getMax() | |
| 182 | { | |
| 183 | 0 | return max; |
| 184 | } | |
| 185 | ||
| 186 | 0 | @Override |
| 187 | public String getAnnotLabel() | |
| 188 | { | |
| 189 | 0 | return "Contact Matrix"; |
| 190 | } | |
| 191 | ||
| 192 | 0 | @Override |
| 193 | public String getAnnotDescr() | |
| 194 | { | |
| 195 | 0 | return "Contact Matrix"; |
| 196 | } | |
| 197 | ||
| 198 | 5 | public static String contactToFloatString(ContactMatrixI cm) |
| 199 | { | |
| 200 | 5 | StringBuilder sb = new StringBuilder(); |
| 201 | 2049 | for (int c = 0; c < cm.getWidth(); c++) |
| 202 | { | |
| 203 | 2044 | ContactListI cl = cm.getContactList(c); |
| 204 | 2044 | long lastsb = -1; |
| 205 | 2044 | if (cl != null) |
| 206 | { | |
| 207 | 4002528 | for (int h = 0; h <= cl.getContactHeight(); h++) |
| 208 | { | |
| 209 | 4000484 | if (sb.length() > 0) |
| 210 | { | |
| 211 | 4000479 | if (sb.length() - lastsb > 320) |
| 212 | { | |
| 213 | // newline | |
| 214 | 56466 | sb.append('\n'); |
| 215 | 56466 | lastsb = sb.length(); |
| 216 | } | |
| 217 | else | |
| 218 | { | |
| 219 | 3944013 | sb.append('\t'); |
| 220 | } | |
| 221 | } | |
| 222 | 4000484 | sb.append(cl.getContactAt(h)); |
| 223 | } | |
| 224 | } | |
| 225 | } | |
| 226 | 5 | return sb.toString(); |
| 227 | } | |
| 228 | ||
| 229 | 4 | public static float[][] fromFloatStringToContacts(String values, int cols, |
| 230 | int rows) | |
| 231 | { | |
| 232 | 4 | float[][] vals = new float[cols][rows]; |
| 233 | 4 | StringTokenizer tabsep = new StringTokenizer(values, "" + '\t' + '\n'); |
| 234 | 4 | int c = 0, r = 0; |
| 235 | 4000363 | while (tabsep.hasMoreTokens()) |
| 236 | { | |
| 237 | 4000363 | double elem = Double.valueOf(tabsep.nextToken()); |
| 238 | 4000363 | vals[c][r++] = (float) elem; |
| 239 | 4000363 | if (r >= vals[c].length) |
| 240 | { | |
| 241 | 2033 | r = 0; |
| 242 | 2033 | c++; |
| 243 | } | |
| 244 | 4000363 | if (c >= vals.length) |
| 245 | { | |
| 246 | 4 | break; |
| 247 | } | |
| 248 | } | |
| 249 | 4 | if (tabsep.hasMoreElements()) |
| 250 | { | |
| 251 | 0 | Console.warn( |
| 252 | "Ignoring additional elements for Float string to contact matrix parsing."); | |
| 253 | } | |
| 254 | 4 | return vals; |
| 255 | } | |
| 256 | } |