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  1. Project Clover database Thu Nov 7 2024 17:01:39 GMT
  2. Package jalview.structure

File StructureCommandsI.java

 

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Classes

Class Line # Actions
StructureCommandsI 35 1 1
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StructureCommandsI.AtomSpecType 134 0 0
-1.0 -
 

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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 toggle default List<StructureCommandI> showHetatms(List<String> toShow)
260    {
261  0 return Collections.EMPTY_LIST;
262    }
263    }