/*
* Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
* Copyright (C) $$Year-Rel$$ The Jalview Authors
*
* This file is part of Jalview.
*
* Jalview is free software: you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation, either version 3
* of the License, or (at your option) any later version.
*
* Jalview is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty
* of MERCHANTABILITY or FITNESS FOR A PARTICULAR
* PURPOSE. See the GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with Jalview. If not, see .
* The Jalview Authors are detailed in the 'AUTHORS' file.
*/
package jalview.ws.sifts;
import static org.testng.Assert.assertEquals;
import static org.testng.Assert.assertTrue;
import jalview.api.DBRefEntryI;
import jalview.bin.Cache;
import jalview.datamodel.DBRefEntry;
import jalview.datamodel.DBRefSource;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceI;
import jalview.gui.JvOptionPane;
import jalview.io.DataSourceType;
import jalview.structure.StructureMapping;
import jalview.xml.binding.sifts.Entry.Entity;
import java.io.File;
import java.io.IOException;
import java.util.ArrayList;
import java.util.HashMap;
import java.util.Iterator;
import java.util.Map;
import org.testng.Assert;
import org.testng.FileAssert;
import org.testng.annotations.AfterTest;
import org.testng.annotations.BeforeClass;
import org.testng.annotations.BeforeTest;
import org.testng.annotations.Test;
import MCview.Atom;
import MCview.PDBfile;
public class SiftsClientTest
{
@BeforeClass(alwaysRun = true)
public void setUpJvOptionPane()
{
JvOptionPane.setInteractiveMode(false);
JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION);
}
public static final String DEFAULT_SIFTS_DOWNLOAD_DIR = System
.getProperty("user.home")
+ File.separatorChar
+ ".sifts_downloads" + File.separatorChar;
private String testPDBId = "1a70";
private SiftsClient siftsClient = null;
SequenceI testSeq = new Sequence(
"P00221",
"MAAT..TTTMMG..MATTFVPKPQAPPMMAALPSNTGR..SLFGLKT.GSR..GGRMTMA"
+ "AYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDD"
+ "QSFLDDDQIDEGWVLTCAAYPVSDVTIETHKEEELTA.", 1, 147);
int u = SiftsClient.UNASSIGNED;
HashMap expectedMapping = new HashMap();
@BeforeTest(alwaysRun = true)
public void populateExpectedMapping() throws SiftsException
{
expectedMapping.put(51, new int[] { 1, 2, 1 });
expectedMapping.put(52, new int[] { 2, 7, 2 });
expectedMapping.put(53, new int[] { 3, 12, 3 });
expectedMapping.put(54, new int[] { 4, 24, 4 });
expectedMapping.put(55, new int[] { 5, 33, 5 });
expectedMapping.put(56, new int[] { 6, 40, 6 });
expectedMapping.put(57, new int[] { 7, 47, 7 });
expectedMapping.put(58, new int[] { 8, 55, 8 });
expectedMapping.put(59, new int[] { 9, 62, 9 });
expectedMapping.put(60, new int[] { 10, 69, 10 });
expectedMapping.put(61, new int[] { 11, 76, 11 });
expectedMapping.put(62, new int[] { 12, 83, 12 });
expectedMapping.put(63, new int[] { 13, 87, 13 });
expectedMapping.put(64, new int[] { 14, 95, 14 });
expectedMapping.put(65, new int[] { 15, 102, 15 });
expectedMapping.put(66, new int[] { 16, 111, 16 });
expectedMapping.put(67, new int[] { 17, 122, 17 });
expectedMapping.put(68, new int[] { 18, 131, 18 });
expectedMapping.put(69, new int[] { 19, 137, 19 });
expectedMapping.put(70, new int[] { 20, 144, 20 });
expectedMapping.put(71, new int[] { 21, 152, 21 });
expectedMapping.put(72, new int[] { 22, 160, 22 });
expectedMapping.put(73, new int[] { 23, 167, 23 });
expectedMapping.put(74, new int[] { 24, 179, 24 });
expectedMapping.put(75, new int[] { 25, 187, 25 });
expectedMapping.put(76, new int[] { 26, 195, 26 });
expectedMapping.put(77, new int[] { 27, 203, 27 });
expectedMapping.put(78, new int[] { 28, 208, 28 });
expectedMapping.put(79, new int[] { 29, 213, 29 });
expectedMapping.put(80, new int[] { 30, 222, 30 });
expectedMapping.put(81, new int[] { 31, 231, 31 });
expectedMapping.put(82, new int[] { 32, 240, 32 });
expectedMapping.put(83, new int[] { 33, 244, 33 });
expectedMapping.put(84, new int[] { 34, 252, 34 });
expectedMapping.put(85, new int[] { 35, 260, 35 });
expectedMapping.put(86, new int[] { 36, 268, 36 });
expectedMapping.put(87, new int[] { 37, 275, 37 });
expectedMapping.put(88, new int[] { 38, 287, 38 });
expectedMapping.put(89, new int[] { 39, 293, 39 });
expectedMapping.put(90, new int[] { 40, 299, 40 });
expectedMapping.put(91, new int[] { 41, 310, 41 });
expectedMapping.put(92, new int[] { 42, 315, 42 });
expectedMapping.put(93, new int[] { 43, 319, 43 });
expectedMapping.put(94, new int[] { 44, 325, 44 });
expectedMapping.put(95, new int[] { 45, 331, 45 });
expectedMapping.put(96, new int[] { 46, 337, 46 });
expectedMapping.put(97, new int[] { 47, 343, 47 });
expectedMapping.put(98, new int[] { 48, 349, 48 });
expectedMapping.put(99, new int[] { 49, 354, 49 });
expectedMapping.put(100, new int[] { 50, 358, 50 });
expectedMapping.put(101, new int[] { 51, 367, 51 });
expectedMapping.put(102, new int[] { 52, 375, 52 });
expectedMapping.put(103, new int[] { 53, 384, 53 });
expectedMapping.put(104, new int[] { 54, 391, 54 });
expectedMapping.put(105, new int[] { 55, 395, 55 });
expectedMapping.put(106, new int[] { 56, 401, 56 });
expectedMapping.put(107, new int[] { 57, 409, 57 });
expectedMapping.put(108, new int[] { 58, 417, 58 });
expectedMapping.put(109, new int[] { 59, 426, 59 });
expectedMapping.put(110, new int[] { 60, 434, 60 });
expectedMapping.put(111, new int[] { 61, 442, 61 });
expectedMapping.put(112, new int[] { 62, 451, 62 });
expectedMapping.put(113, new int[] { 63, 457, 63 });
expectedMapping.put(114, new int[] { 64, 468, 64 });
expectedMapping.put(115, new int[] { 65, 476, 65 });
expectedMapping.put(116, new int[] { 66, 484, 66 });
expectedMapping.put(117, new int[] { 67, 492, 67 });
expectedMapping.put(118, new int[] { 68, 500, 68 });
expectedMapping.put(119, new int[] { 69, 509, 69 });
expectedMapping.put(120, new int[] { 70, 517, 70 });
expectedMapping.put(121, new int[] { 71, 525, 71 });
expectedMapping.put(122, new int[] { 72, 534, 72 });
expectedMapping.put(123, new int[] { 73, 538, 73 });
expectedMapping.put(124, new int[] { 74, 552, 74 });
expectedMapping.put(125, new int[] { 75, 559, 75 });
expectedMapping.put(126, new int[] { 76, 567, 76 });
expectedMapping.put(127, new int[] { 77, 574, 77 });
expectedMapping.put(128, new int[] { 78, 580, 78 });
expectedMapping.put(129, new int[] { 79, 585, 79 });
expectedMapping.put(130, new int[] { 80, 590, 80 });
expectedMapping.put(131, new int[] { 81, 602, 81 });
expectedMapping.put(132, new int[] { 82, 609, 82 });
expectedMapping.put(133, new int[] { 83, 616, 83 });
expectedMapping.put(134, new int[] { 84, 622, 84 });
expectedMapping.put(135, new int[] { 85, 630, 85 });
expectedMapping.put(136, new int[] { 86, 637, 86 });
expectedMapping.put(137, new int[] { 87, 644, 87 });
expectedMapping.put(138, new int[] { 88, 652, 88 });
expectedMapping.put(139, new int[] { 89, 661, 89 });
expectedMapping.put(140, new int[] { 90, 668, 90 });
expectedMapping.put(141, new int[] { 91, 678, 91 });
expectedMapping.put(142, new int[] { 92, 687, 92 });
expectedMapping.put(143, new int[] { 93, 696, 93 });
expectedMapping.put(144, new int[] { 94, 705, 94 });
expectedMapping.put(145, new int[] { 95, 714, 95 });
expectedMapping.put(146, new int[] { 96, 722, 96 });
expectedMapping.put(147, new int[] { 97, 729, 97 });
}
@BeforeTest(alwaysRun = true)
public void setUpSiftsClient() throws SiftsException, IOException
{
// read test props before manipulating config
Cache.loadProperties("test/jalview/io/testProps.jvprops");
// SIFTs entries are updated weekly - so use saved SIFTs file to enforce
// test reproducibility
new SiftsSettings();
SiftsSettings.setSiftDownloadDirectory(jalview.bin.Cache.getDefault(
"sifts_download_dir", DEFAULT_SIFTS_DOWNLOAD_DIR));
SiftsSettings.setMapWithSifts(true);
SiftsSettings.setCacheThresholdInDays("2");
SiftsSettings.setFailSafePIDThreshold("70");
PDBfile pdbFile;
pdbFile = new PDBfile(false, false, false, "test/jalview/io/"
+ testPDBId + ".pdb", DataSourceType.FILE);
siftsClient = new SiftsClient(pdbFile);
}
@AfterTest(alwaysRun = true)
public void cleanUpSiftsClient()
{
siftsClient = null;
}
@Test(groups = { "Network" })
public void getSIFTsFileTest() throws SiftsException, IOException
{
File siftsFile;
siftsFile = SiftsClient.downloadSiftsFile(testPDBId);
FileAssert.assertFile(siftsFile);
long t1 = siftsFile.lastModified();
// re-read file should be returned from cache
siftsFile = SiftsClient.downloadSiftsFile(testPDBId);
FileAssert.assertFile(siftsFile);
long t2 = siftsFile.lastModified();
assertEquals(t1, t2);
/*
* force fetch by having 0 expiry of cache
* also wait one second, because file timestamp does not
* give millisecond resolution :-(
*/
synchronized (this)
{
try
{
wait(1000);
} catch (InterruptedException e)
{
}
}
SiftsSettings.setCacheThresholdInDays("0");
siftsFile = SiftsClient.getSiftsFile(testPDBId);
FileAssert.assertFile(siftsFile);
long t3 = siftsFile.lastModified();
assertTrue(t3 > t2, "file timestamp unchanged at " + t3);
SiftsSettings.setCacheThresholdInDays("2");
}
@Test(groups = { "Network" })
public void downloadSiftsFileTest() throws SiftsException, IOException
{
// Assert that file isn't yet downloaded - if already downloaded, assert it
// is deleted
Assert.assertTrue(SiftsClient.deleteSiftsFileByPDBId(testPDBId));
File siftsFile;
siftsFile = SiftsClient.downloadSiftsFile(testPDBId);
FileAssert.assertFile(siftsFile);
SiftsClient.downloadSiftsFile(testPDBId);
}
@Test(groups = { "Network" })
public void getAllMappingAccessionTest()
{
Assert.assertNotNull(siftsClient);
Assert.assertNotNull(siftsClient.getAllMappingAccession());
Assert.assertTrue(siftsClient.getAllMappingAccession().size() > 1);
}
@Test(groups = { "Network" })
public void getGreedyMappingTest()
{
Assert.assertNotNull(siftsClient);
Assert.assertNotNull(testSeq);
Assert.assertNotNull(expectedMapping);
// TODO delete when auto-fetching of DBRefEntry is implemented
DBRefEntry dbRef = new DBRefEntry("uniprot", "", "P00221");
testSeq.addDBRef(dbRef);
// testSeq.setSourceDBRef(dbRef);
try
{
HashMap actualMapping = siftsClient.getGreedyMapping(
"A", testSeq, null);
Assert.assertEquals(testSeq.getStart(), 1);
Assert.assertEquals(testSeq.getEnd(), 147);
// Can't do Assert.assertEquals(actualMapping, expectedMapping);
// because this fails in our version of TestNG
Assert.assertEquals(actualMapping.size(), expectedMapping.size());
Iterator> it = expectedMapping.entrySet()
.iterator();
while (it.hasNext())
{
Map.Entry pair = it.next();
Assert.assertTrue(actualMapping.containsKey(pair.getKey()));
Assert.assertEquals(actualMapping.get(pair.getKey()),
pair.getValue());
}
} catch (Exception e)
{
e.printStackTrace();
Assert.fail("Exception thrown while generating mapping...");
}
}
@Test(groups = { "Network" })
private void getAtomIndexTest()
{
ArrayList atoms = new ArrayList();
Atom atom = new Atom(u, u, u);
atom.resNumber = 43;
atom.atomIndex = 7;
atoms.add(atom);
int actualAtomIndex = siftsClient.getAtomIndex(1, atoms);
Assert.assertEquals(actualAtomIndex, siftsClient.UNASSIGNED);
actualAtomIndex = siftsClient.getAtomIndex(43, atoms);
Assert.assertEquals(actualAtomIndex, 7);
}
@Test(
groups = { "Network" },
expectedExceptions = IllegalArgumentException.class)
private void getAtomIndexNullTest()
{
siftsClient.getAtomIndex(1, null);
}
@Test(groups = { "Network" })
private void padWithGapsTest()
{
}
@Test(
groups = { "Network" },
expectedExceptions = SiftsException.class)
private void populateAtomPositionsNullTest1()
throws IllegalArgumentException, SiftsException
{
siftsClient.populateAtomPositions(null, null);
}
@Test(
groups = { "Network" },
expectedExceptions = SiftsException.class)
private void populateAtomPositionsNullTest2()
throws IllegalArgumentException, SiftsException
{
siftsClient.populateAtomPositions("A", null);
}
@Test(groups = { "Network" })
public void getValidSourceDBRefTest() throws SiftsException
{
DBRefEntryI actualValidSrcDBRef = siftsClient
.getValidSourceDBRef(testSeq);
DBRefEntryI expectedDBRef = new DBRefEntry();
expectedDBRef.setSource(DBRefSource.UNIPROT);
expectedDBRef.setAccessionId("P00221");
expectedDBRef.setVersion("");
Assert.assertEquals(actualValidSrcDBRef, expectedDBRef);
}
@Test(
groups = { "Network" },
expectedExceptions = SiftsException.class)
public void getValidSourceDBRefExceptionTest() throws SiftsException
{
SequenceI invalidTestSeq = new Sequence("testSeq", "ABCDEFGH");
siftsClient.getValidSourceDBRef(invalidTestSeq);
}
@Test(
groups = { "Network" },
expectedExceptions = SiftsException.class)
public void getValidSourceDBRefExceptionXTest() throws SiftsException
{
SequenceI invalidTestSeq = new Sequence("testSeq", "ABCDEFGH");
DBRefEntry invalidDBRef = new DBRefEntry();
invalidDBRef.setAccessionId("BLAR");
invalidTestSeq.addDBRef(invalidDBRef);
siftsClient.getValidSourceDBRef(invalidTestSeq);
}
@Test(groups = { "Network" })
public void isValidDBRefEntryTest()
{
DBRefEntryI validDBRef = new DBRefEntry();
validDBRef.setSource(DBRefSource.UNIPROT);
validDBRef.setAccessionId("P00221");
validDBRef.setVersion("");
Assert.assertTrue(siftsClient.isValidDBRefEntry(validDBRef));
}
@Test(groups = { "Network" })
public void getSiftsStructureMappingTest() throws SiftsException
{
Assert.assertTrue(SiftsSettings.isMapWithSifts());
StructureMapping strucMapping = siftsClient.getSiftsStructureMapping(
testSeq, testPDBId, "A");
String expectedMappingOutput = "\nSequence ⟷ Structure mapping details\n"
+ "Method: SIFTS\n\n"
+ "P00221 : 51 - 147 Maps to \n"
+ "1A70|A : 1 - 97\n\n"
+ "P00221 AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLD\n"
+ " |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||\n"
+ "1A70|A AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLD\n\n"
+ "P00221 DDQIDEGWVLTCAAYPVSDVTIETHKEEELTA\n"
+ " |||||||||||||||||||||||||| |||||\n"
+ "1A70|A DDQIDEGWVLTCAAYPVSDVTIETHKKEELTA\n\n" +
"Length of alignment = 97\n" + "Percentage ID = 98.97\n";
Assert.assertEquals(strucMapping.getMappingDetailsOutput(),
expectedMappingOutput);
// Can't do Assert.assertEquals(strucMapping.getMapping(), expectedMapping);
// because this fails in our version of TestNG
Assert.assertEquals(strucMapping.getMapping().size(),
expectedMapping.size());
Iterator> it = expectedMapping.entrySet()
.iterator();
while (it.hasNext())
{
Map.Entry pair = it.next();
Assert.assertTrue(strucMapping.getMapping()
.containsKey(pair.getKey()));
Assert.assertEquals(strucMapping.getMapping().get(pair.getKey()),
pair.getValue());
}
}
@Test(groups = { "Network" })
public void getEntityCountTest()
{
int actualEntityCount = siftsClient.getEntityCount();
System.out.println("actual entity count : " + actualEntityCount);
Assert.assertEquals(actualEntityCount, 1);
}
@Test(groups = { "Network" })
public void getDbAccessionIdTest()
{
String actualDbAccId = siftsClient.getDbAccessionId();
System.out.println("Actual Db Accession Id: " + actualDbAccId);
Assert.assertEquals(actualDbAccId, "1a70");
}
@Test(groups = { "Network" })
public void getDbCoordSysTest()
{
String actualDbCoordSys = siftsClient.getDbCoordSys();
System.out.println("Actual DbCoordSys: " + actualDbCoordSys);
Assert.assertEquals(actualDbCoordSys, "PDBe");
}
@Test(groups = { "Network" })
public void getDbSourceTest()
{
String actualDbSource = siftsClient.getDbSource();
System.out.println("Actual DbSource: " + actualDbSource);
Assert.assertEquals(actualDbSource, "PDBe");
}
@Test(groups = { "Network" })
public void getDbVersionTest()
{
String actualDbVersion = siftsClient.getDbVersion();
System.out.println("Actual DbVersion: " + actualDbVersion);
Assert.assertEquals(actualDbVersion, "2.0");
}
@Test(groups = { "Network" })
public void getEntityByMostOptimalMatchedIdTest1() throws IOException,
SiftsException
{
SiftsClient siftsClientX = null;
PDBfile pdbFile;
pdbFile = new PDBfile(false, false, false, "test/jalview/io/2nq2"
+ ".pdb", DataSourceType.FILE);
siftsClientX = new SiftsClient(pdbFile);
Entity entityA = siftsClientX.getEntityByMostOptimalMatchedId("A");
Assert.assertEquals(entityA.getEntityId(), "A");
Entity entityB = siftsClientX.getEntityByMostOptimalMatchedId("B");
Assert.assertEquals(entityB.getEntityId(), "C");
Entity entityC = siftsClientX.getEntityByMostOptimalMatchedId("C");
Assert.assertEquals(entityC.getEntityId(), "B");
Entity entityD = siftsClientX.getEntityByMostOptimalMatchedId("D");
Assert.assertEquals(entityD.getEntityId(), "D");
}
@Test(groups = { "Network" })
public void getEntityByMostOptimalMatchedIdTest2() throws IOException,
SiftsException
{
// This test is for a SIFTS file in which entity A should map to chain P for
// the given PDB Id. All the other chains shouldn't be mapped as there are
// no SIFTS entity records for them.
SiftsClient siftsClientX = null;
PDBfile pdbFile;
pdbFile = new PDBfile(false, false, false, "test/jalview/io/3ucu.cif",
DataSourceType.FILE);
siftsClientX = new SiftsClient(pdbFile);
Entity entityA = siftsClientX.getEntityByMostOptimalMatchedId("P");
Entity entityP = siftsClientX.getEntityByMostOptimalMatchedId("A");
Entity entityR = siftsClientX.getEntityByMostOptimalMatchedId("R");
Assert.assertEquals(entityA.getEntityId(), "A");
Assert.assertNotEquals(entityR, "A");
Assert.assertNotEquals(entityP, "A");
Assert.assertNotEquals(entityR, "R");
Assert.assertNotEquals(entityP, "P");
Assert.assertNull(entityR);
Assert.assertNull(entityP);
}
@Test(groups = { "Network" })
public void getLeadingIntegerFromString()
{
Assert.assertEquals(
SiftsClient.getLeadingIntegerValue("1234abcd", -1), 1234);
Assert.assertEquals(
SiftsClient.getLeadingIntegerValue("1234", -1),
1234);
Assert.assertEquals(
SiftsClient.getLeadingIntegerValue("abcd", -1), -1);
Assert.assertEquals(
SiftsClient.getLeadingIntegerValue("abcd1234", -1), -1);
Assert.assertEquals(
SiftsClient.getLeadingIntegerValue("None", -1), -1);
Assert.assertEquals(
SiftsClient.getLeadingIntegerValue("Null", -1), -1);
}
}