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  1. Project Clover database Wed Nov 13 2024 16:21:17 GMT
  2. Package jalview.datamodel

File PAEContactMatrixTest.java

 

Code metrics

2
122
5
1
271
189
6
0.05
24.4
5
1.2

Classes

Class Line # Actions
PAEContactMatrixTest 36 122 6
1.0100%
 

Contributing tests

This file is covered by 2 tests. .

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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.datamodel;
22   
23    import static org.testng.Assert.*;
24   
25    import org.testng.Assert;
26    import org.testng.annotations.BeforeClass;
27    import org.testng.annotations.Test;
28   
29    import jalview.analysis.AlignmentUtils;
30    import jalview.analysis.SeqsetUtils;
31    import jalview.gui.JvOptionPane;
32    import jalview.util.MapList;
33    import jalview.ws.datamodel.MappableContactMatrixI;
34    import jalview.ws.datamodel.alphafold.PAEContactMatrix;
35   
 
36    public class PAEContactMatrixTest
37    {
 
38  1 toggle @BeforeClass(alwaysRun = true)
39    public void setUpJvOptionPane()
40    {
41  1 JvOptionPane.setInteractiveMode(false);
42  1 JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION);
43    }
44   
45    static float[][] PAEdata = { { 1.0f, 2.0f, 3.0f, 4.0f, 5.0f },
46    { 2.0f, 1.0f, 2.0f, 3.0f, 4.0f },
47    { 3.0f, 2.0f, 1.0f, 2.0f, 3.0f },
48    { 4.0f, 3.0f, 2.0f, 1.0f, 2.0f },
49    { 5.0f, 4.0f, 3.0f, 2.0f, 1.0f } };
50   
51    /**
52    * test associations for a PAE matrix
53    */
 
54  1 toggle @Test(groups = { "Functional" })
55    public void testSeqAssociatedPAEMatrix()
56    {
57  1 Sequence seq = new Sequence("Seq", "ASDQE");
58  1 AlignmentAnnotation aa = seq
59    .addContactList(new PAEContactMatrix(seq, PAEdata));
60  1 assertNotNull(seq.getContactListFor(aa, 0));
61  1 assertEquals(seq.getContactListFor(aa, 0).getContactAt(0), 1.0);
62  1 assertNotNull(seq.getContactListFor(aa, 1));
63  1 assertEquals(seq.getContactListFor(aa, 1).getContactAt(1), 1.0);
64  1 assertNotNull(seq.getContactListFor(aa, 2));
65  1 assertEquals(seq.getContactListFor(aa, 2).getContactAt(2), 1.0);
66  1 assertNotNull(seq.getContactListFor(aa, 3));
67  1 assertEquals(seq.getContactListFor(aa, 3).getContactAt(3), 1.0);
68  1 assertNotNull(seq.getContactListFor(aa, 4));
69  1 assertEquals(seq.getContactListFor(aa, 4).getContactAt(4), 1.0);
70   
71  1 assertNotNull(seq.getContactListFor(aa, seq.getEnd() - 1));
72  1 assertNull(seq.getContactListFor(aa, seq.getEnd()));
73   
74  1 ContactListI cm = seq.getContactListFor(aa, seq.getStart());
75  1 assertEquals(cm.getContactAt(seq.getStart()), 1d);
76  1 verifyPAEmatrix(seq, aa, 0, 0, 4);
77   
78    // Now associated with sequence not starting at 1
79  1 seq = new Sequence("Seq/5-9", "ASDQE");
80  1 ContactMatrixI paematrix = new PAEContactMatrix(seq, PAEdata);
81  1 aa = seq.addContactList(paematrix);
82  1 assertNotNull(aa);
83    // individual annotation elements need to be distinct for Matrix associated
84    // rows
85  1 Annotation ae5 = aa.getAnnotationForPosition(5);
86  1 Annotation ae6 = aa.getAnnotationForPosition(6);
87  1 assertNotNull(ae5);
88  1 assertNotNull(ae6);
89  1 assertTrue(ae5 != ae6);
90   
91  1 cm = seq.getContactListFor(aa, 0);
92  1 assertEquals(cm.getContactAt(0), 1d);
93  1 verifyPAEmatrix(seq, aa, 0, 0, 4);
94   
95    // test clustering
96  1 paematrix.setGroupSet(
97    GroupSet.makeGroups(paematrix, false, 0.1f, false));
98   
99    // remap - test the MappableContactMatrix.liftOver method
100  1 SequenceI newseq = new Sequence("Seq", "ASDQEASDQEASDQE");
101  1 Mapping sqmap = new Mapping(seq,
102    new MapList(new int[]
103    { 5, 8, 10, 10 }, new int[] { 5, 9 }, 1, 1));
104  1 assertTrue(paematrix instanceof MappableContactMatrixI);
105   
106  1 MappableContactMatrixI remapped = ((MappableContactMatrixI) paematrix)
107    .liftOver(newseq, sqmap);
108  1 assertTrue(remapped instanceof PAEContactMatrix);
109   
110  1 AlignmentAnnotation newaa = newseq.addContactList(remapped);
111  1 assertNull(newseq.getContactListFor(newaa, -1 + newseq.findIndex(1)));
112  1 assertNull(newseq.getContactListFor(newaa, -1 + newseq.findIndex(4)));
113  1 assertNotNull(
114    newseq.getContactListFor(newaa, -1 + newseq.findIndex(5)));
115  1 assertNotNull(
116    newseq.getContactListFor(newaa, -1 + newseq.findIndex(6)));
117  1 assertNotNull(
118    newseq.getContactListFor(newaa, -1 + newseq.findIndex(7)));
119  1 assertNotNull(
120    newseq.getContactListFor(newaa, -1 + newseq.findIndex(8)));
121    // no mapping for position 9
122  1 assertNull(newseq.getContactListFor(newaa, -1 + newseq.findIndex(9)));
123    // last column
124  1 assertNotNull(
125    newseq.getContactListFor(newaa, -1 + newseq.findIndex(10)));
126   
127    // verify MappedPositions includes discontinuity
128  1 int[] mappedCl = newseq.getContactListFor(newaa, 5)
129    .getMappedPositionsFor(0, 4);
130  1 assertEquals(4, mappedCl.length,
131    "getMappedPositionsFor doesn't support discontinuous mappings to contactList");
132   
133    // make it harder.
134   
135  1 SequenceI alseq = newseq.getSubSequence(6, 10);
136  1 alseq.insertCharAt(2, 2, '-');
137  1 AlignmentI alForSeq = new Alignment(new SequenceI[] { alseq });
138  1 newaa = AlignmentUtils.addReferenceAnnotationTo(alForSeq, alseq, newaa,
139    null);
140    // check for null on out of bounds
141  1 ContactListI alcl = alForSeq.getContactListFor(newaa,
142    newaa.annotations.length);
143  1 assertNull(alcl, "Should've gotten null!");
144    // now check for mapping
145  1 alcl = alForSeq.getContactListFor(newaa, 1);
146  1 assertNotNull(alcl);
147  1 mappedCl = alcl.getMappedPositionsFor(0, 4);
148  1 assertNotNull(mappedCl);
149  1 assertEquals(4, mappedCl.length,
150    "getMappedPositionsFor doesn't support discontinuous mappings to contactList");
151   
152    // remap2 - test with original matrix map from 1-5 remapped to 5-9
153   
154  1 seq = new Sequence("Seq/1-5", "ASDQE");
155  1 paematrix = new PAEContactMatrix(seq, PAEdata);
156  1 assertTrue(paematrix instanceof MappableContactMatrixI);
157  1 aa = seq.addContactList(paematrix);
158   
159  1 newseq = new Sequence("Seq", "ASDQEASDQEASDQE");
160  1 sqmap = new Mapping(seq,
161    new MapList(new int[]
162    { 5, 9 }, new int[] { 1, 5 }, 1, 1));
163   
164  1 remapped = ((MappableContactMatrixI) paematrix).liftOver(newseq, sqmap);
165  1 assertTrue(remapped instanceof PAEContactMatrix);
166   
167  1 newaa = newseq.addContactList(remapped);
168  1 verify_mapping(newseq, newaa);
169   
170    // remap3 - remap2 but mapping sense in liftover is reversed
171   
172  1 seq = new Sequence("Seq/1-5", "ASDQE");
173  1 paematrix = new PAEContactMatrix(seq, PAEdata);
174  1 assertTrue(paematrix instanceof MappableContactMatrixI);
175  1 aa = seq.addContactList(paematrix);
176   
177  1 newseq = new Sequence("Seq", "ASDQEASDQEASDQE");
178  1 sqmap = new Mapping(newseq,
179    new MapList(new int[]
180    { 1, 5 }, new int[] { 5, 9 }, 1, 1));
181   
182  1 remapped = ((MappableContactMatrixI) paematrix).liftOver(newseq, sqmap);
183  1 assertTrue(remapped instanceof PAEContactMatrix);
184   
185  1 newaa = newseq.addContactList(remapped);
186  1 verify_mapping(newseq, newaa);
187    }
188   
189    /**
190    * checks that the PAE matrix is located at positions 1-9 in newseq, and
191    * columns are not truncated.
192    *
193    * @param newseq
194    * @param newaa
195    */
 
196  2 toggle private void verify_mapping(SequenceI newseq, AlignmentAnnotation newaa)
197    {
198  2 assertNull(newseq.getContactListFor(newaa, -1 + newseq.findIndex(1)));
199  2 assertNull(newseq.getContactListFor(newaa, -1 + newseq.findIndex(4)));
200  2 assertNotNull(
201    newseq.getContactListFor(newaa, -1 + newseq.findIndex(5)));
202  2 assertNotNull(
203    newseq.getContactListFor(newaa, -1 + newseq.findIndex(6)));
204  2 assertNotNull(
205    newseq.getContactListFor(newaa, -1 + newseq.findIndex(7)));
206  2 assertNotNull(
207    newseq.getContactListFor(newaa, -1 + newseq.findIndex(8)));
208  2 assertNotNull(
209    newseq.getContactListFor(newaa, -1 + newseq.findIndex(9)));
210    // last column should be null this time
211  2 assertNull(newseq.getContactListFor(newaa, -1 + newseq.findIndex(10)));
212   
213  2 verifyPAEmatrix(newseq, newaa, 4, 4, 8);
214    }
215   
 
216  4 toggle private void verifyPAEmatrix(SequenceI seq, AlignmentAnnotation aa,
217    int topl, int rowl, int rowr)
218    {
219  4 int[] mappedCl;
220  24 for (int f = rowl; f <= rowr; f++)
221    {
222  20 ContactListI clist = seq.getContactListFor(aa, f);
223  20 assertNotNull(clist, "No ContactListI for position " + (f));
224  20 assertEquals(clist.getContactAt(0), (double) f - topl + 1,
225    "for column " + f + " relative to " + topl);
226  20 mappedCl = clist.getMappedPositionsFor(0, 0);
227  20 assertNotNull(mappedCl);
228  20 assertEquals(mappedCl[0], mappedCl[1]);
229  20 assertEquals(mappedCl[0], seq.findIndex(seq.getStart() + topl));
230  20 assertEquals(clist.getContactAt(f - topl), 1d,
231    "for column and row " + f + " relative to " + topl);
232    }
233    }
234   
235    /**
236    * check mapping and resolution methods work
237    */
 
238  1 toggle @Test(groups = { "Functional" })
239    public void testMappableContactMatrix()
240    {
241  1 SequenceI newseq = new Sequence("Seq", "ASDQEASDQEASDQE");
242  1 MapList map = new MapList(new int[] { 5, 9 }, new int[] { 1, 5 }, 1, 1);
243  1 AlignmentAnnotation aa = newseq.addContactList(
244    new PAEContactMatrix(newseq, map, PAEdata, null));
245  1 ContactListI clist = newseq.getContactListFor(aa, 4);
246  1 assertNotNull(clist);
247  1 clist = newseq.getContactListFor(aa, 3);
248  1 assertNull(clist);
249   
250  1 ContactMatrixI cm = newseq.getContactMatrixFor(aa);
251  1 MappableContactMatrixI mcm = (MappableContactMatrixI) cm;
252  1 int[] pos = mcm.getMappedPositionsFor(newseq, 0);
253  1 assertNull(pos);
254   
255  1 pos = mcm.getMappedPositionsFor(newseq, 1);
256  1 assertNotNull(pos);
257  1 assertEquals(pos[0], 4 + newseq.getStart());
258   
259  1 pos = mcm.getMappedPositionsFor(newseq, 6); // after end of matrix
260  1 assertNull(pos);
261  1 pos = mcm.getMappedPositionsFor(newseq, 5); // at end of matrix
262  1 assertNotNull(pos);
263  1 assertEquals(pos[0], 8 + newseq.getStart());
264  1 SequenceI alseq = newseq.deriveSequence();
265  1 alseq.insertCharAt(5, '-');
266  1 pos = mcm.getMappedPositionsFor(alseq, 5); // at end of matrix
267  1 assertNotNull(pos);
268  1 assertEquals(pos[0], 8 + newseq.getStart());
269   
270    }
271    }