| Class | Line # | Actions | |||
|---|---|---|---|---|---|
| StructureCommandsI | 35 | 1 | 1 | ||
| StructureCommandsI.AtomSpecType | 134 | 0 | 0 |
| 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.structure; | |
| 22 | ||
| 23 | import java.awt.Color; | |
| 24 | import java.util.Collections; | |
| 25 | import java.util.List; | |
| 26 | import java.util.Map; | |
| 27 | ||
| 28 | /** | |
| 29 | * Methods that generate commands that can be sent to a molecular structure | |
| 30 | * viewer program (e.g. Jmol, Chimera, ChimeraX) | |
| 31 | * | |
| 32 | * @author gmcarstairs | |
| 33 | * | |
| 34 | */ | |
| 35 | public interface StructureCommandsI | |
| 36 | { | |
| 37 | /** | |
| 38 | * Returns the command to colour by chain | |
| 39 | * | |
| 40 | * @return | |
| 41 | */ | |
| 42 | StructureCommandI colourByChain(); | |
| 43 | ||
| 44 | /** | |
| 45 | * Returns the command to colour residues using a charge-based scheme: | |
| 46 | * <ul> | |
| 47 | * <li>Aspartic acid and Glutamic acid (negative charge) red</li> | |
| 48 | * <li>Lysine and Arginine (positive charge) blue</li> | |
| 49 | * <li>Cysteine - yellow</li> | |
| 50 | * <li>all others - white</li> | |
| 51 | * </ul> | |
| 52 | * | |
| 53 | * @return | |
| 54 | */ | |
| 55 | List<StructureCommandI> colourByCharge(); | |
| 56 | ||
| 57 | /** | |
| 58 | * Returns the command to colour residues with the colours provided in the | |
| 59 | * map, one per three letter residue code | |
| 60 | * | |
| 61 | * @param colours | |
| 62 | * @return | |
| 63 | */ | |
| 64 | List<StructureCommandI> colourByResidues(Map<String, Color> colours); | |
| 65 | ||
| 66 | /** | |
| 67 | * Returns the command to set the background colour of the structure viewer | |
| 68 | * | |
| 69 | * @param col | |
| 70 | * @return | |
| 71 | */ | |
| 72 | StructureCommandI setBackgroundColour(Color col); | |
| 73 | ||
| 74 | /** | |
| 75 | * Returns commands to colour mapped residues of structures according to | |
| 76 | * Jalview's colouring (including feature colouring if applied). Parameter is | |
| 77 | * a map from Color to a model of all residues assigned that colour. | |
| 78 | * | |
| 79 | * @param colourMap | |
| 80 | * @return | |
| 81 | */ | |
| 82 | ||
| 83 | List<StructureCommandI> colourBySequence( | |
| 84 | Map<Object, AtomSpecModel> colourMap); | |
| 85 | ||
| 86 | /** | |
| 87 | * Returns a command to centre the display in the structure viewer | |
| 88 | * | |
| 89 | * @return | |
| 90 | */ | |
| 91 | StructureCommandI focusView(); | |
| 92 | ||
| 93 | /** | |
| 94 | * Returns a command to show only the selected chains. The items in the input | |
| 95 | * list should be formatted as "modelid:chainid". | |
| 96 | * | |
| 97 | * @param toShow | |
| 98 | * @return | |
| 99 | */ | |
| 100 | List<StructureCommandI> showChains(List<String> toShow); | |
| 101 | ||
| 102 | /** | |
| 103 | * Returns a command to superpose structures by closest positioning of | |
| 104 | * residues in {@code atomSpec} to the corresponding residues in | |
| 105 | * {@code refAtoms}. If wanted, this may include commands to visually | |
| 106 | * highlight the residues that were used for the superposition. | |
| 107 | * | |
| 108 | * @param refAtoms | |
| 109 | * @param atomSpec | |
| 110 | * @param backbone | |
| 111 | * - superpose based on which kind of atomType | |
| 112 | * @return | |
| 113 | */ | |
| 114 | List<StructureCommandI> superposeStructures(AtomSpecModel refAtoms, | |
| 115 | AtomSpecModel atomSpec, AtomSpecType backbone); | |
| 116 | ||
| 117 | /** | |
| 118 | * Returns a command to open a file of commands at the given path | |
| 119 | * | |
| 120 | * @param path | |
| 121 | * @return | |
| 122 | */ | |
| 123 | StructureCommandI openCommandFile(String path); | |
| 124 | ||
| 125 | /** | |
| 126 | * Returns a command to save the current viewer session state to the given | |
| 127 | * file | |
| 128 | * | |
| 129 | * @param filepath | |
| 130 | * @return | |
| 131 | */ | |
| 132 | StructureCommandI saveSession(String filepath); | |
| 133 | ||
| 134 | enum AtomSpecType | |
| 135 | { | |
| 136 | RESIDUE_ONLY, ALPHA, PHOSPHATE | |
| 137 | }; | |
| 138 | ||
| 139 | /** | |
| 140 | * Returns a representation of the atom set represented by the model, in | |
| 141 | * viewer syntax format. If {@code alphaOnly} is true, this is restricted to | |
| 142 | * Alpha Carbon (peptide) or Phosphorous (rna) only | |
| 143 | * | |
| 144 | * @param model | |
| 145 | * @param specType | |
| 146 | * @return | |
| 147 | */ | |
| 148 | String getAtomSpec(AtomSpecModel model, AtomSpecType specType); | |
| 149 | ||
| 150 | /** | |
| 151 | * Returns the lowest model number used by the structure viewer (likely 0 or | |
| 152 | * 1) | |
| 153 | * | |
| 154 | * @return | |
| 155 | */ | |
| 156 | // TODO remove by refactoring so command generation is purely driven by | |
| 157 | // AtomSpecModel objects derived in the binding classes? | |
| 158 | int getModelStartNo(); | |
| 159 | ||
| 160 | /** | |
| 161 | * Returns command(s) to show only the backbone of the peptide (cartoons in | |
| 162 | * Jmol, chain in Chimera) | |
| 163 | * | |
| 164 | * @return | |
| 165 | */ | |
| 166 | List<StructureCommandI> showBackbone(); | |
| 167 | ||
| 168 | /** | |
| 169 | * Returns a command to open a file at the given path | |
| 170 | * | |
| 171 | * @param file | |
| 172 | * @return | |
| 173 | */ | |
| 174 | // refactor if needed to distinguish loading data or session files | |
| 175 | StructureCommandI loadFile(String file); | |
| 176 | ||
| 177 | /** | |
| 178 | * Returns commands to set atom attributes or properties, given a map of | |
| 179 | * Jalview features as {featureType, {featureValue, AtomSpecModel}}. The | |
| 180 | * assumption is that one command can be constructed for each feature type and | |
| 181 | * value combination, to apply it to one or more residues. | |
| 182 | * | |
| 183 | * @param featureValues | |
| 184 | * @return | |
| 185 | */ | |
| 186 | List<StructureCommandI> setAttributes( | |
| 187 | Map<String, Map<Object, AtomSpecModel>> featureValues); | |
| 188 | ||
| 189 | /** | |
| 190 | * Returns command to open a saved structure viewer session file, or null if | |
| 191 | * not supported | |
| 192 | * | |
| 193 | * @param filepath | |
| 194 | * @return | |
| 195 | */ | |
| 196 | StructureCommandI openSession(String filepath); | |
| 197 | ||
| 198 | /** | |
| 199 | * Returns command to restore a previously saved version of an existing | |
| 200 | * structure viewer session file. Default implementation calls 'openSession' | |
| 201 | * | |
| 202 | * @param filePath | |
| 203 | * @return | |
| 204 | */ | |
| 205 | StructureCommandI restoreSession(String filePath); | |
| 206 | ||
| 207 | /** | |
| 208 | * Returns a command to ask the viewer to close down | |
| 209 | * | |
| 210 | * @return | |
| 211 | */ | |
| 212 | StructureCommandI closeViewer(); | |
| 213 | ||
| 214 | /** | |
| 215 | * Returns one or more commands to ask the viewer to notify model or selection | |
| 216 | * changes to the given uri. Returns null if this is not supported by the | |
| 217 | * structure viewer. | |
| 218 | * | |
| 219 | * @param uri | |
| 220 | * @return | |
| 221 | */ | |
| 222 | List<StructureCommandI> startNotifications(String uri); | |
| 223 | ||
| 224 | /** | |
| 225 | * Returns one or more commands to ask the viewer to stop notifying model or | |
| 226 | * selection changes. Returns null if this is not supported by the structure | |
| 227 | * viewer. | |
| 228 | * | |
| 229 | * @return | |
| 230 | */ | |
| 231 | List<StructureCommandI> stopNotifications(); | |
| 232 | ||
| 233 | /** | |
| 234 | * Returns a command to ask the viewer for its current residue selection, or | |
| 235 | * null if no such command is supported | |
| 236 | * | |
| 237 | * @return | |
| 238 | */ | |
| 239 | StructureCommandI getSelectedResidues(); | |
| 240 | ||
| 241 | /** | |
| 242 | * Returns a command to list the unique names of residue attributes, or null | |
| 243 | * if no such command is supported | |
| 244 | * | |
| 245 | * @return | |
| 246 | */ | |
| 247 | StructureCommandI listResidueAttributes(); | |
| 248 | ||
| 249 | /** | |
| 250 | * Returns a command to list residues with an attribute of the given name, | |
| 251 | * with attribute value, or null if no such command is supported | |
| 252 | * | |
| 253 | * @return | |
| 254 | */ | |
| 255 | StructureCommandI getResidueAttributes(String attName); | |
| 256 | ||
| 257 | List<StructureCommandI> centerViewOn(List<AtomSpecModel> residues); | |
| 258 | ||
| 259 | 0 | default List<StructureCommandI> showHetatms(List<String> toShow) |
| 260 | { | |
| 261 | 0 | return Collections.EMPTY_LIST; |
| 262 | } | |
| 263 | } |