@Test(groups = { "Functional" })
public void getPhyre2FastaMappingTest()
{
- String phyre2ModelFile = "examples/testdata/phyre2results/56da5616b4559c93/c4n58A_.pdb";
+ String phyre2ModelFile = "examples/testdata/phyre2results/56da5616b4559c93/c4n58A_.1.pdb";
+ String fastaMappingFile = "examples/testdata/phyre2results/56da5616b4559c93/c4n58A_.1.fasta";
SequenceI testSeq = new Sequence(
"FER_CAPAN",
+ "EEGWVLTCVAYPQSDVTIETHKEAELVG", 1, 144);
HashMap<Integer, int[]> expectedMapping = new HashMap<Integer, int[]>();
-
- expectedMapping.put(1, new int[] { -1, -1 });
- expectedMapping.put(2, new int[] { -1, -1 });
- expectedMapping.put(3, new int[] { -1, -1 });
- expectedMapping.put(4, new int[] { -1, -1 });
- expectedMapping.put(5, new int[] { -1, -1 });
- expectedMapping.put(6, new int[] { -1, -1 });
- expectedMapping.put(7, new int[] { -1, -1 });
- expectedMapping.put(8, new int[] { -1, -1 });
- expectedMapping.put(9, new int[] { -1, -1 });
- expectedMapping.put(10, new int[] { -1, -1 });
- expectedMapping.put(11, new int[] { -1, -1 });
- expectedMapping.put(12, new int[] { -1, -1 });
- expectedMapping.put(13, new int[] { -1, -1 });
- expectedMapping.put(14, new int[] { -1, -1 });
- expectedMapping.put(15, new int[] { -1, -1 });
- expectedMapping.put(16, new int[] { -1, -1 });
- expectedMapping.put(17, new int[] { -1, -1 });
- expectedMapping.put(18, new int[] { -1, -1 });
- expectedMapping.put(19, new int[] { -1, -1 });
- expectedMapping.put(20, new int[] { -1, -1 });
- expectedMapping.put(21, new int[] { -1, -1 });
- expectedMapping.put(22, new int[] { -1, -1 });
- expectedMapping.put(23, new int[] { -1, -1 });
- expectedMapping.put(24, new int[] { -1, -1 });
- expectedMapping.put(25, new int[] { -1, -1 });
- expectedMapping.put(26, new int[] { -1, -1 });
- expectedMapping.put(27, new int[] { -1, -1 });
- expectedMapping.put(28, new int[] { -1, -1 });
- expectedMapping.put(29, new int[] { -1, -1 });
- expectedMapping.put(30, new int[] { -1, -1 });
- expectedMapping.put(31, new int[] { -1, -1 });
- expectedMapping.put(32, new int[] { -1, -1 });
- expectedMapping.put(33, new int[] { -1, -1 });
- expectedMapping.put(34, new int[] { -1, -1 });
- expectedMapping.put(35, new int[] { -1, -1 });
- expectedMapping.put(36, new int[] { -1, -1 });
- expectedMapping.put(37, new int[] { -1, -1 });
- expectedMapping.put(38, new int[] { -1, -1 });
- expectedMapping.put(39, new int[] { -1, -1 });
- expectedMapping.put(40, new int[] { -1, -1 });
- expectedMapping.put(41, new int[] { -1, -1 });
- expectedMapping.put(42, new int[] { -1, -1 });
- expectedMapping.put(43, new int[] { -1, -1 });
- expectedMapping.put(44, new int[] { -1, -1 });
- expectedMapping.put(45, new int[] { -1, -1 });
- expectedMapping.put(46, new int[] { -1, -1 });
- expectedMapping.put(47, new int[] { -1, -1 });
- // forty eight gaps in PDB sequence
+ // PDB sequence starts with residue 48
expectedMapping.put(48, new int[] { 48, 1 });
expectedMapping.put(49, new int[] { 49, 6 });
expectedMapping.put(50, new int[] { 50, 12 });
expectedMapping.put(57, new int[] { 57, 72 });
expectedMapping.put(58, new int[] { 58, 79 });
expectedMapping.put(59, new int[] { 59, 87 });
- expectedMapping.put(60, new int[] { -1, -1 });
- expectedMapping.put(61, new int[] { -1, -1 });
- // two gaps in PDB sequence
- expectedMapping.put(62, new int[] { 60, -1 });
- expectedMapping.put(63, new int[] { 61, -1 });
+ // residues 60, 61 absent in PDB file
+ // residues 62, 63 also skipped in map (is this right?)
expectedMapping.put(64, new int[] { 62, 91 });
expectedMapping.put(65, new int[] { 63, 100 });
expectedMapping.put(66, new int[] { 64, 111 });
expectedMapping.put(113, new int[] { 111, 445 });
expectedMapping.put(114, new int[] { 112, 453 });
expectedMapping.put(115, new int[] { 113, 461 });
- // one gap in PDB sequence
- expectedMapping.put(116, new int[] { -1, -1 });
+ // residue 116 absent in PDB file
expectedMapping.put(117, new int[] { 114, 469 });
expectedMapping.put(118, new int[] { 115, 477 });
- expectedMapping.put(119, new int[] { 116, -1 });
+ // residue 119 gets removed as mapped to 116 - is this right?
expectedMapping.put(120, new int[] { 117, 486 });
expectedMapping.put(121, new int[] { 118, 495 });
expectedMapping.put(122, new int[] { 119, 504 });
expectedMapping.put(141, new int[] { 138, 652 });
expectedMapping.put(142, new int[] { 139, 661 });
expectedMapping.put(143, new int[] { 140, 670 });
- expectedMapping.put(144, new int[] { -1, -1 });
+ // residue 144 absent in PDB file
StructureFile structureFile;
try
{
structureFile = new JmolParser(phyre2ModelFile, DataSourceType.FILE);
phyre2Client = new Phyre2Client(structureFile);
+ phyre2Client.setFastaMappingFile(fastaMappingFile);
} catch (IOException e1)
{
e1.printStackTrace();
public void getPhyre2FastaMappingTest2()
{
String phyre2ModelFile = "examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.pdb";
+ String fastaMappingFile = "examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.fasta";
SequenceI testSeq = new Sequence(
"FER_CAPAN",
13, 139);
HashMap<Integer, int[]> expectedMapping = new HashMap<Integer, int[]>();
-
- expectedMapping.put(13, new int[] { -1, -1 });
- expectedMapping.put(14, new int[] { -1, -1 });
- expectedMapping.put(15, new int[] { -1, -1 });
- expectedMapping.put(16, new int[] { -1, -1 });
- expectedMapping.put(17, new int[] { -1, -1 });
- expectedMapping.put(18, new int[] { -1, -1 });
- expectedMapping.put(19, new int[] { -1, -1 });
- expectedMapping.put(20, new int[] { -1, -1 });
- expectedMapping.put(21, new int[] { -1, -1 });
- expectedMapping.put(22, new int[] { -1, -1 });
- expectedMapping.put(23, new int[] { -1, -1 });
- expectedMapping.put(24, new int[] { -1, -1 });
- expectedMapping.put(25, new int[] { -1, -1 });
- expectedMapping.put(26, new int[] { -1, -1 });
- expectedMapping.put(27, new int[] { -1, -1 });
- expectedMapping.put(28, new int[] { -1, -1 });
- expectedMapping.put(29, new int[] { -1, -1 });
- expectedMapping.put(30, new int[] { -1, -1 });
- expectedMapping.put(31, new int[] { -1, -1 });
- expectedMapping.put(32, new int[] { -1, -1 });
- expectedMapping.put(33, new int[] { -1, -1 });
- expectedMapping.put(34, new int[] { -1, -1 });
- expectedMapping.put(35, new int[] { -1, -1 });
- expectedMapping.put(36, new int[] { -1, -1 });
- expectedMapping.put(37, new int[] { -1, -1 });
- expectedMapping.put(38, new int[] { -1, -1 });
- expectedMapping.put(39, new int[] { -1, -1 });
- expectedMapping.put(40, new int[] { -1, -1 });
- expectedMapping.put(41, new int[] { -1, -1 });
- expectedMapping.put(42, new int[] { -1, -1 });
- expectedMapping.put(43, new int[] { -1, -1 });
- expectedMapping.put(44, new int[] { -1, -1 });
- // thirty two gaps in PDB sequence
+ // PDB sequence starts with residue 33
expectedMapping.put(45, new int[] { 33, 1 });
expectedMapping.put(46, new int[] { 34, 6 });
expectedMapping.put(47, new int[] { 35, 13 });
{
structureFile = new JmolParser(phyre2ModelFile, DataSourceType.FILE);
phyre2Client = new Phyre2Client(structureFile);
+ phyre2Client.setFastaMappingFile(fastaMappingFile);
} catch (IOException e1)
{
e1.printStackTrace();
Assert.assertEquals(testSeq.getStart(), 13);
Assert.assertEquals(testSeq.getEnd(), 139);
+ Assert.assertEquals(actualMapping, expectedMapping);
testMappings(actualMapping, expectedMapping);
} catch (Exception e)
{
// Test entry set
for (int key : expectedMapping.keySet())
{
+ System.out.println(key + " ---> [" + expectedMapping.get(key)[0]
+ + ", " + expectedMapping.get(key)[1] + "] = ["
+ + actualMapping.get(key)[0] + ", "
+ + actualMapping.get(key)[1] + "]");
Assert.assertTrue(Arrays.equals(expectedMapping.get(key),
actualMapping.get(key)));
}