2 * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3 * Copyright (C) $$Year-Rel$$ The Jalview Authors
5 * This file is part of Jalview.
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.
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.
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.
21 package jalview.ws.sifts;
23 import jalview.api.DBRefEntryI;
24 import jalview.datamodel.DBRefEntry;
25 import jalview.datamodel.DBRefSource;
26 import jalview.datamodel.Sequence;
27 import jalview.datamodel.SequenceI;
28 import jalview.io.AppletFormatAdapter;
29 import jalview.structure.StructureMapping;
30 import jalview.xml.binding.sifts.Entry.Entity;
33 import java.io.IOException;
34 import java.util.ArrayList;
35 import java.util.HashMap;
37 import org.testng.Assert;
38 import org.testng.FileAssert;
39 import org.testng.annotations.AfterTest;
40 import org.testng.annotations.BeforeTest;
41 import org.testng.annotations.Test;
44 import MCview.PDBfile;
46 public class SiftsClientTest
49 public static final String DEFAULT_SIFTS_DOWNLOAD_DIR = System
50 .getProperty("user.home")
52 + ".sifts_downloads" + File.separatorChar;
54 private String testPDBId = "1a70";
56 private SiftsClient siftsClient = null;
58 SequenceI testSeq = new Sequence(
60 "MAAT..TTTMMG..MATTFVPKPQAPPMMAALPSNTGR..SLFGLKT.GSR..GGRMTMA"
61 + "AYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDD"
62 + "QSFLDDDQIDEGWVLTCAAYPVSDVTIETHKEEELTA.", 1, 147);
64 int u = SiftsClient.UNASSIGNED;
66 HashMap<Integer, int[]> expectedMapping = new HashMap<Integer, int[]>();
68 @BeforeTest(alwaysRun = true)
69 public void populateExpectedMapping() throws SiftsException
71 expectedMapping.put(51, new int[] { 1, 2 });
72 expectedMapping.put(52, new int[] { 2, 7 });
73 expectedMapping.put(53, new int[] { 3, 12 });
74 expectedMapping.put(54, new int[] { 4, 24 });
75 expectedMapping.put(55, new int[] { 5, 33 });
76 expectedMapping.put(56, new int[] { 6, 40 });
77 expectedMapping.put(57, new int[] { 7, 47 });
78 expectedMapping.put(58, new int[] { 8, 55 });
79 expectedMapping.put(59, new int[] { 9, 62 });
80 expectedMapping.put(60, new int[] { 10, 69 });
81 expectedMapping.put(61, new int[] { 11, 76 });
82 expectedMapping.put(62, new int[] { 12, 83 });
83 expectedMapping.put(63, new int[] { 13, 87 });
84 expectedMapping.put(64, new int[] { 14, 95 });
85 expectedMapping.put(65, new int[] { 15, 102 });
86 expectedMapping.put(66, new int[] { 16, 111 });
87 expectedMapping.put(67, new int[] { 17, 122 });
88 expectedMapping.put(68, new int[] { 18, 131 });
89 expectedMapping.put(69, new int[] { 19, 137 });
90 expectedMapping.put(70, new int[] { 20, 144 });
91 expectedMapping.put(71, new int[] { 21, 152 });
92 expectedMapping.put(72, new int[] { 22, 160 });
93 expectedMapping.put(73, new int[] { 23, 167 });
94 expectedMapping.put(74, new int[] { 24, 179 });
95 expectedMapping.put(75, new int[] { 25, 187 });
96 expectedMapping.put(76, new int[] { 26, 195 });
97 expectedMapping.put(77, new int[] { 27, 203 });
98 expectedMapping.put(78, new int[] { 28, 208 });
99 expectedMapping.put(79, new int[] { 29, 213 });
100 expectedMapping.put(80, new int[] { 30, 222 });
101 expectedMapping.put(81, new int[] { 31, 231 });
102 expectedMapping.put(82, new int[] { 32, 240 });
103 expectedMapping.put(83, new int[] { 33, 244 });
104 expectedMapping.put(84, new int[] { 34, 252 });
105 expectedMapping.put(85, new int[] { 35, 260 });
106 expectedMapping.put(86, new int[] { 36, 268 });
107 expectedMapping.put(87, new int[] { 37, 275 });
108 expectedMapping.put(88, new int[] { 38, 287 });
109 expectedMapping.put(89, new int[] { 39, 293 });
110 expectedMapping.put(90, new int[] { 40, 299 });
111 expectedMapping.put(91, new int[] { 41, 310 });
112 expectedMapping.put(92, new int[] { 42, 315 });
113 expectedMapping.put(93, new int[] { 43, 319 });
114 expectedMapping.put(94, new int[] { 44, 325 });
115 expectedMapping.put(95, new int[] { 45, 331 });
116 expectedMapping.put(96, new int[] { 46, 337 });
117 expectedMapping.put(97, new int[] { 47, 343 });
118 expectedMapping.put(98, new int[] { 48, 349 });
119 expectedMapping.put(99, new int[] { 49, 354 });
120 expectedMapping.put(100, new int[] { 50, 358 });
121 expectedMapping.put(101, new int[] { 51, 367 });
122 expectedMapping.put(102, new int[] { 52, 375 });
123 expectedMapping.put(103, new int[] { 53, 384 });
124 expectedMapping.put(104, new int[] { 54, 391 });
125 expectedMapping.put(105, new int[] { 55, 395 });
126 expectedMapping.put(106, new int[] { 56, 401 });
127 expectedMapping.put(107, new int[] { 57, 409 });
128 expectedMapping.put(108, new int[] { 58, 417 });
129 expectedMapping.put(109, new int[] { 59, 426 });
130 expectedMapping.put(110, new int[] { 60, 434 });
131 expectedMapping.put(111, new int[] { 61, 442 });
132 expectedMapping.put(112, new int[] { 62, 451 });
133 expectedMapping.put(113, new int[] { 63, 457 });
134 expectedMapping.put(114, new int[] { 64, 468 });
135 expectedMapping.put(115, new int[] { 65, 476 });
136 expectedMapping.put(116, new int[] { 66, 484 });
137 expectedMapping.put(117, new int[] { 67, 492 });
138 expectedMapping.put(118, new int[] { 68, 500 });
139 expectedMapping.put(119, new int[] { 69, 509 });
140 expectedMapping.put(120, new int[] { 70, 517 });
141 expectedMapping.put(121, new int[] { 71, 525 });
142 expectedMapping.put(122, new int[] { 72, 534 });
143 expectedMapping.put(123, new int[] { 73, 538 });
144 expectedMapping.put(124, new int[] { 74, 552 });
145 expectedMapping.put(125, new int[] { 75, 559 });
146 expectedMapping.put(126, new int[] { 76, 567 });
147 expectedMapping.put(127, new int[] { 77, 574 });
148 expectedMapping.put(128, new int[] { 78, 580 });
149 expectedMapping.put(129, new int[] { 79, 585 });
150 expectedMapping.put(130, new int[] { 80, 590 });
151 expectedMapping.put(131, new int[] { 81, 602 });
152 expectedMapping.put(132, new int[] { 82, 609 });
153 expectedMapping.put(133, new int[] { 83, 616 });
154 expectedMapping.put(134, new int[] { 84, 622 });
155 expectedMapping.put(135, new int[] { 85, 630 });
156 expectedMapping.put(136, new int[] { 86, 637 });
157 expectedMapping.put(137, new int[] { 87, 644 });
158 expectedMapping.put(138, new int[] { 88, 652 });
159 expectedMapping.put(139, new int[] { 89, 661 });
160 expectedMapping.put(140, new int[] { 90, 668 });
161 expectedMapping.put(141, new int[] { 91, 678 });
162 expectedMapping.put(142, new int[] { 92, 687 });
163 expectedMapping.put(143, new int[] { 93, 696 });
164 expectedMapping.put(144, new int[] { 94, 705 });
165 expectedMapping.put(145, new int[] { 95, 714 });
166 expectedMapping.put(146, new int[] { 96, 722 });
167 expectedMapping.put(147, new int[] { 97, 729 });
170 @BeforeTest(alwaysRun = true)
171 public void setUpSiftsClient() throws SiftsException
173 // SIFTs entries are updated weekly - so use saved SIFTs file to enforce
174 // test reproducibility
176 SiftsSettings.setSiftDownloadDirectory(jalview.bin.Cache.getDefault(
177 "sifts_download_dir", DEFAULT_SIFTS_DOWNLOAD_DIR));
178 SiftsSettings.setMapWithSifts(true);
179 SiftsSettings.setCacheThresholdInDays("2");
180 SiftsSettings.setFailSafePIDThreshold("70");
184 pdbFile = new PDBfile(false, false, false, "test/jalview/io/"
185 + testPDBId + ".pdb", AppletFormatAdapter.FILE);
186 siftsClient = new SiftsClient(pdbFile);
187 } catch (Exception e)
193 @AfterTest(alwaysRun = true)
194 public void cleanUpSiftsClient()
199 @Test(groups = { "Functional" })
200 public void getSIFTsFileTest() throws SiftsException
205 siftsFile = SiftsClient.downloadSiftsFile(testPDBId);
206 FileAssert.assertFile(siftsFile);
207 // test for SIFTs file caching
208 SiftsSettings.setCacheThresholdInDays("0");
209 siftsFile = SiftsClient.getSiftsFile(testPDBId);
210 FileAssert.assertFile(siftsFile);
211 SiftsSettings.setCacheThresholdInDays("2");
212 } catch (IOException e)
218 @Test(groups = { "Functional" })
219 public void downloadSiftsFileTest() throws SiftsException
221 // Assert that file isn't yet downloaded - if already downloaded, assert it
223 Assert.assertTrue(SiftsClient.deleteSiftsFileByPDBId(testPDBId));
227 siftsFile = SiftsClient.downloadSiftsFile(testPDBId);
228 FileAssert.assertFile(siftsFile);
229 SiftsClient.downloadSiftsFile(testPDBId);
230 } catch (IOException e)
237 @Test(groups = { "Functional" })
238 public void getAllMappingAccessionTest()
240 Assert.assertNotNull(siftsClient);
241 Assert.assertNotNull(siftsClient.getAllMappingAccession());
242 Assert.assertTrue(siftsClient.getAllMappingAccession().size() > 1);
245 @Test(groups = { "Functional" })
246 public void getGreedyMappingTest()
248 Assert.assertNotNull(siftsClient);
249 Assert.assertNotNull(testSeq);
250 Assert.assertNotNull(expectedMapping);
252 // TODO delete when auto-fetching of DBRefEntry is implemented
253 DBRefEntry dbRef = new DBRefEntry("uniprot", "", "P00221");
254 testSeq.addDBRef(dbRef);
255 // testSeq.setSourceDBRef(dbRef);
259 HashMap<Integer, int[]> actualMapping = siftsClient.getGreedyMapping(
262 Assert.assertEquals(testSeq.getStart(), 1);
263 Assert.assertEquals(testSeq.getEnd(), 147);
264 Assert.assertEquals(actualMapping, expectedMapping);
265 } catch (Exception e)
268 Assert.fail("Exception thrown while generating mapping...");
272 @Test(groups = { "Functional" })
273 private void getAtomIndexTest()
275 ArrayList<Atom> atoms = new ArrayList<Atom>();
276 Atom atom = new Atom(u, u, u);
280 int actualAtomIndex = siftsClient.getAtomIndex(1, atoms);
281 Assert.assertEquals(actualAtomIndex, -1);
282 actualAtomIndex = siftsClient.getAtomIndex(43, atoms);
283 Assert.assertEquals(actualAtomIndex, 7);
287 groups = { "Functional" },
288 expectedExceptions = IllegalArgumentException.class)
289 private void getAtomIndexNullTest()
291 siftsClient.getAtomIndex(1, null);
294 @Test(groups = { "Functional" })
295 private void padWithGapsTest()
301 groups = { "Functional" },
302 expectedExceptions = SiftsException.class)
303 private void populateAtomPositionsNullTest1()
304 throws IllegalArgumentException, SiftsException
306 siftsClient.populateAtomPositions(null, null);
310 groups = { "Functional" },
311 expectedExceptions = SiftsException.class)
312 private void populateAtomPositionsNullTest2()
313 throws IllegalArgumentException, SiftsException
315 siftsClient.populateAtomPositions("A", null);
318 @Test(groups = { "Functional" })
319 public void getValidSourceDBRefTest()
323 DBRefEntryI actualValidSrcDBRef = siftsClient
324 .getValidSourceDBRef(testSeq);
325 DBRefEntryI expectedDBRef = new DBRefEntry();
326 expectedDBRef.setSource(DBRefSource.UNIPROT);
327 expectedDBRef.setAccessionId("P00221");
328 expectedDBRef.setVersion("");
329 Assert.assertEquals(actualValidSrcDBRef, expectedDBRef);
330 } catch (Exception e)
336 groups = { "Functional" },
337 expectedExceptions = SiftsException.class)
338 public void getValidSourceDBRefExceptionTest() throws SiftsException
340 SequenceI invalidTestSeq = new Sequence("testSeq", "ABCDEFGH");
343 siftsClient.getValidSourceDBRef(invalidTestSeq);
344 } catch (SiftsException e)
346 throw new SiftsException(e.getMessage());
351 groups = { "Functional" },
352 expectedExceptions = SiftsException.class)
353 public void getValidSourceDBRefExceptionXTest() throws SiftsException
355 SequenceI invalidTestSeq = new Sequence("testSeq", "ABCDEFGH");
356 DBRefEntry invalidDBRef = new DBRefEntry();
357 invalidDBRef.setAccessionId("BLAR");
358 invalidTestSeq.addDBRef(invalidDBRef);
361 siftsClient.getValidSourceDBRef(invalidTestSeq);
362 } catch (SiftsException e)
364 throw new SiftsException(e.getMessage());
369 @Test(groups = { "Functional" })
370 public void isValidDBRefEntryTest()
372 DBRefEntryI validDBRef = new DBRefEntry();
373 validDBRef.setSource(DBRefSource.UNIPROT);
374 validDBRef.setAccessionId("P00221");
375 validDBRef.setVersion("");
376 Assert.assertTrue(siftsClient.isValidDBRefEntry(validDBRef));
379 @Test(groups = { "Functional" })
380 public void getSiftsStructureMappingTest()
384 Assert.assertTrue(SiftsSettings.isMapWithSifts());
385 StructureMapping strucMapping = siftsClient.getSiftsStructureMapping(
386 testSeq, testPDBId, "A");
387 String expectedMappingOutput = "\nSequence ⟷ Structure mapping details\n"
388 + "Method: SIFTS\n\n"
389 + "P00221 : 1 - 97 Maps to \n"
390 + "1A70|A : 51 - 147\n\n"
391 + "P00221 AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLD\n"
392 + " |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||\n"
393 + "1A70|A AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLD\n\n"
395 + "P00221 DDQIDEGWVLTCAAYPVSDVTIETHKEEELTA\n"
396 + " |||||||||||||||||||||||||| |||||\n"
397 + "1A70|A DDQIDEGWVLTCAAYPVSDVTIETHKKEELTA\n\n" +
399 "Length of alignment = 97\n" + "Percentage ID = 98.97\n";
401 Assert.assertEquals(strucMapping.getMappingDetailsOutput(),
402 expectedMappingOutput);
403 Assert.assertEquals(strucMapping.getMapping(), expectedMapping);
404 } catch (SiftsException e)
410 @Test(groups = { "Functional" })
411 public void getEntityCountTest()
413 int actualEntityCount = siftsClient.getEntityCount();
414 System.out.println("actual entity count : " + actualEntityCount);
415 Assert.assertEquals(actualEntityCount, 1);
418 @Test(groups = { "Functional" })
419 public void getDbAccessionIdTest()
421 String actualDbAccId = siftsClient.getDbAccessionId();
422 System.out.println("Actual Db Accession Id: " + actualDbAccId);
423 Assert.assertEquals(actualDbAccId, "1a70");
426 @Test(groups = { "Functional" })
427 public void getDbCoordSysTest()
429 String actualDbCoordSys = siftsClient.getDbCoordSys();
430 System.out.println("Actual DbCoordSys: " + actualDbCoordSys);
431 Assert.assertEquals(actualDbCoordSys, "PDBe");
434 @Test(groups = { "Functional" })
435 public void getDbSourceTest()
437 String actualDbSource = siftsClient.getDbSource();
438 System.out.println("Actual DbSource: " + actualDbSource);
439 Assert.assertEquals(actualDbSource, "PDBe");
442 @Test(groups = { "Functional" })
443 public void getDbVersionTest()
445 String actualDbVersion = siftsClient.getDbVersion();
446 System.out.println("Actual DbVersion: " + actualDbVersion);
447 Assert.assertEquals(actualDbVersion, "2.0");
450 @Test(groups = { "Functional" })
451 public void getEntityByMostOptimalMatchedIdTest()
453 SiftsClient siftsClientX = null;
457 pdbFile = new PDBfile(false, false, false, "test/jalview/io/2nq2"
458 + ".pdb", AppletFormatAdapter.FILE);
459 siftsClientX = new SiftsClient(pdbFile);
460 } catch (Exception e)
464 Entity entityA = siftsClientX.getEntityByMostOptimalMatchedId("A");
465 Assert.assertEquals(entityA.getEntityId(), "A");
466 Entity entityB = siftsClientX.getEntityByMostOptimalMatchedId("B");
467 Assert.assertEquals(entityB.getEntityId(), "C");
468 Entity entityC = siftsClientX.getEntityByMostOptimalMatchedId("C");
469 Assert.assertEquals(entityC.getEntityId(), "B");
470 Entity entityD = siftsClientX.getEntityByMostOptimalMatchedId("D");
471 Assert.assertEquals(entityD.getEntityId(), "D");