--- /dev/null
+package jalview.io;
+
+import static org.testng.Assert.assertEquals;
+import static org.testng.Assert.assertFalse;
+import static org.testng.Assert.assertNotNull;
+import static org.testng.Assert.assertNull;
+import static org.testng.Assert.assertTrue;
+import static org.testng.Assert.fail;
+
+import jalview.analysis.scoremodels.ScoreMatrix;
+import jalview.analysis.scoremodels.ScoreModels;
+
+import java.io.IOException;
+import java.net.MalformedURLException;
+
+import org.testng.annotations.Test;
+
+public class ScoreMatrixFileTest
+{
+
+ /**
+ * Test a successful parse of a (small) score matrix file
+ *
+ * @throws IOException
+ * @throws MalformedURLException
+ */
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiMixedDelimiters()
+ throws MalformedURLException,
+ IOException
+ {
+ /*
+ * some messy but valid input data, with comma, space
+ * or tab (or combinations) as score value delimiters
+ * this example includes 'guide' symbols on score rows
+ */
+ String data = "ScoreMatrix MyTest (example)\n" + "A\tT\tU\tt\tx\t-\n"
+ + "A,1.1,1.2,1.3,1.4, 1.5, 1.6\n"
+ + "T,2.1 2.2 2.3 2.4 2.5 2.6\n"
+ + "U\t3.1\t3.2\t3.3\t3.4\t3.5\t3.6\t\n"
+ + "t, 5.1,5.3,5.3,5.4,5.5, 5.6\n"
+ + "x\t6.1, 6.2 6.3 6.4 6.5 6.6\n"
+ + "-, \t7.1\t7.2 7.3, 7.4, 7.5\t,7.6\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ ScoreMatrix sm = parser.parseMatrix();
+
+ assertNotNull(sm);
+ assertEquals(sm.getName(), "MyTest (example)");
+ assertEquals(sm.getSize(), 6);
+ assertNull(sm.getDescription());
+ assertTrue(sm.isDNA());
+ assertFalse(sm.isProtein());
+ assertEquals(sm.getMinimumScore(), 1.1f);
+ assertEquals(sm.getPairwiseScore('A', 'A'), 1.1f);
+ assertEquals(sm.getPairwiseScore('A', 'T'), 1.2f);
+ assertEquals(sm.getPairwiseScore('a', 'T'), 1.2f); // A/a equivalent
+ assertEquals(sm.getPairwiseScore('A', 't'), 1.4f); // T/t not equivalent
+ assertEquals(sm.getPairwiseScore('a', 't'), 1.4f);
+ assertEquals(sm.getPairwiseScore('U', 'x'), 3.5f);
+ assertEquals(sm.getPairwiseScore('u', 'x'), 3.5f);
+ // X (upper) and '.' unmapped - get minimum score
+ assertEquals(sm.getPairwiseScore('U', 'X'), 1.1f);
+ assertEquals(sm.getPairwiseScore('A', '.'), 1.1f);
+ assertEquals(sm.getPairwiseScore('-', '-'), 7.6f);
+ assertEquals(sm.getPairwiseScore('A', (char) 128), 0f); // out of range
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_headerMissing()
+ {
+ String data;
+
+ data = "X Y\n1 2\n3 4\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Format error: 'ScoreMatrix <name>' should be the first non-comment line");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiNotEnoughRows()
+ {
+ String data = "ScoreMatrix MyTest\nX Y Z\n1 2 3\n4 5 6\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Expected 3 rows of score data in score matrix but only found 2");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiNotEnoughColumns()
+ {
+ String data = "ScoreMatrix MyTest\nX Y Z\n1 2 3\n4 5\n7 8 9\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Expected 3 scores at line 4: '4 5' but found 2");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiTooManyColumns()
+ {
+ /*
+ * with two too many columns:
+ */
+ String data = "ScoreMatrix MyTest\nX\tY\tZ\n1 2 3\n4 5 6 7\n8 9 10\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Expected 3 scores at line 4: '4 5 6 7' but found 4");
+ }
+
+ /*
+ * with guide character and one too many columns:
+ */
+ data = "ScoreMatrix MyTest\nX Y\nX 1 2\nY 3 4 5\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Expected 2 scores at line 4: 'Y 3 4 5' but found 3");
+ }
+
+ /*
+ * with no guide character and one too many columns
+ */
+ data = "ScoreMatrix MyTest\nX Y\n1 2\n3 4 5\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Expected 2 scores at line 4: '3 4 5' but found 3");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiTooManyRows()
+ {
+ String data = "ScoreMatrix MyTest\n\tX\tY\tZ\n1 2 3\n4 5 6\n7 8 9\n10 11 12\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Unexpected extra input line in score model file: '10 11 12'");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiBadDelimiter()
+ {
+ String data = "ScoreMatrix MyTest\n X Y Z\n1|2|3\n4|5|6\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Invalid score value '1|2|3' at line 3 column 0");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiBadFloat()
+ {
+ String data = "ScoreMatrix MyTest\n\tX\tY\tZ\n1 2 3\n4 five 6\n7 8 9\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Invalid score value 'five' at line 4 column 1");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiBadGuideCharacter()
+ {
+ String data = "ScoreMatrix MyTest\n\tX Y\nX 1 2\ny 3 4\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Error parsing score matrix at line 4, expected 'Y' but found 'y'");
+ }
+
+ data = "ScoreMatrix MyTest\n\tX Y\nXX 1 2\nY 3 4\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Error parsing score matrix at line 3, expected 'X' but found 'XX'");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiNameMissing()
+ {
+ /*
+ * Name missing on ScoreMatrix header line
+ */
+ String data = "ScoreMatrix\nX Y\n1 2\n3 4\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(
+ e.getMessage(),
+ "Format error: expected 'ScoreMatrix <name>', found 'ScoreMatrix' at line 1");
+ }
+ }
+
+ /**
+ * Test a successful parse of a (small) score matrix file
+ *
+ * @throws IOException
+ * @throws MalformedURLException
+ */
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiFormat() throws MalformedURLException,
+ IOException
+ {
+ // input including comment and blank lines
+ String data = "ScoreMatrix MyTest\n#comment\n\n" + "\tA\tB\tC\n"
+ + "A\t1.0\t2.0\t3.0\n" + "B\t4.0\t5.0\t6.0\n"
+ + "C\t7.0\t8.0\t9.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ ScoreMatrix sm = parser.parseMatrix();
+
+ assertNotNull(sm);
+ assertEquals(sm.getName(), "MyTest");
+ assertEquals(parser.getMatrixName(), "MyTest");
+ assertEquals(sm.getPairwiseScore('A', 'A'), 1.0f);
+ assertEquals(sm.getPairwiseScore('B', 'c'), 6.0f);
+ assertEquals(sm.getSize(), 3);
+ }
+
+ /**
+ * Test a successful parse of a (small) score matrix file
+ *
+ * @throws IOException
+ * @throws MalformedURLException
+ */
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaIndexBlosum80()
+ throws MalformedURLException,
+ IOException
+ {
+ FileParse fp = new FileParse("resources/scoreModel/blosum80.scm",
+ DataSourceType.FILE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ ScoreMatrix sm = parser.parseMatrix();
+
+ assertNotNull(sm);
+ assertEquals(sm.getName(), "HENS920103");
+ assertEquals(sm.getDescription(),
+ "BLOSUM80 substitution matrix (Henikoff-Henikoff, 1992)");
+ assertFalse(sm.isDNA());
+ assertTrue(sm.isProtein());
+ assertEquals(20, sm.getSize());
+
+ assertEquals(sm.getPairwiseScore('A', 'A'), 7f);
+ assertEquals(sm.getPairwiseScore('A', 'R'), -3f);
+ assertEquals(sm.getPairwiseScore('r', 'a'), -3f); // A/a equivalent
+ }
+
+ /**
+ * Test a successful parse of a (small) score matrix file
+ *
+ * @throws IOException
+ * @throws MalformedURLException
+ */
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaindexFormat() throws MalformedURLException,
+ IOException
+ {
+ /*
+ * aaindex format has scores for diagonal and below only
+ */
+ String data = "H MyTest\n" + "D My description\n" + "R PMID:1438297\n"
+ + "A Authors, names\n" + "T Journal title\n"
+ + "J Journal reference\n" + "* matrix in 1/3 Bit Units\n"
+ + "M rows = ABC, cols = ABC\n" + "A\t1.0\n"
+ + "B\t4.0\t5.0\n"
+ + "C\t7.0\t8.0\t9.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ ScoreMatrix sm = parser.parseMatrix();
+
+ assertNotNull(sm);
+ assertEquals(sm.getSize(), 3);
+ assertEquals(sm.getName(), "MyTest");
+ assertEquals(sm.getDescription(), "My description");
+ assertEquals(sm.getPairwiseScore('A', 'A'), 1.0f);
+ assertEquals(sm.getPairwiseScore('A', 'B'), 4.0f);
+ assertEquals(sm.getPairwiseScore('A', 'C'), 7.0f);
+ assertEquals(sm.getPairwiseScore('B', 'A'), 4.0f);
+ assertEquals(sm.getPairwiseScore('B', 'B'), 5.0f);
+ assertEquals(sm.getPairwiseScore('B', 'C'), 8.0f);
+ assertEquals(sm.getPairwiseScore('C', 'C'), 9.0f);
+ assertEquals(sm.getPairwiseScore('C', 'B'), 8.0f);
+ assertEquals(sm.getPairwiseScore('C', 'A'), 7.0f);
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaindex_mMissing()
+ throws MalformedURLException,
+ IOException
+ {
+ /*
+ * aaindex format but M cols=, rows= is missing
+ */
+ String data = "H MyTest\n" + "A\t1.0\n"
+ + "B\t4.0\t5.0\n"
+ + "C\t7.0\t8.0\t9.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ try
+ {
+ parser.parseMatrix();
+ fail("Expected exception");
+ } catch (FileFormatException e)
+ {
+ assertEquals(e.getMessage(), "No alphabet specified in matrix file");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaindex_rowColMismatch()
+ throws MalformedURLException,
+ IOException
+ {
+ String data = "H MyTest\n" + "M rows=ABC, cols=ABD\n" + "A\t1.0\n"
+ + "B\t4.0\t5.0\n"
+ + "C\t7.0\t8.0\t9.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ try
+ {
+ parser.parseMatrix();
+ fail("Expected exception");
+ } catch (FileFormatException e)
+ {
+ assertEquals(
+ e.getMessage(),
+ "Unexpected aaIndex score matrix data at line 2: M rows=ABC, cols=ABD rows != cols");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_ncbiHeaderRepeated()
+ {
+ String data = "ScoreMatrix BLOSUM\nScoreMatrix PAM250\nX Y\n1 2\n3 4\n";
+ try
+ {
+ new ScoreMatrixFile(new FileParse(data, DataSourceType.PASTE))
+ .parseMatrix();
+ fail("expected exception");
+ } catch (IOException e)
+ {
+ assertEquals(e.getMessage(),
+ "Error: 'ScoreMatrix' repeated in file at line 2");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaindex_tooManyRows()
+ throws MalformedURLException,
+ IOException
+ {
+ String data = "H MyTest\n" + "M rows=ABC, cols=ABC\n" + "A\t1.0\n"
+ + "B\t4.0\t5.0\n" + "C\t7.0\t8.0\t9.0\n" + "C\t7.0\t8.0\t9.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ try
+ {
+ parser.parseMatrix();
+ fail("Expected exception");
+ } catch (FileFormatException e)
+ {
+ assertEquals(e.getMessage(), "Too many data rows in matrix file");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaindex_extraDataLines()
+ throws MalformedURLException,
+ IOException
+ {
+ String data = "H MyTest\n" + "M rows=ABC, cols=ABC\n" + "A\t1.0\n"
+ + "B\t4.0\t5.0\n" + "C\t7.0\t8.0\t9.0\n" + "something extra\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ try
+ {
+ parser.parseMatrix();
+ fail("Expected exception");
+ } catch (FileFormatException e)
+ {
+ assertEquals(e.getMessage(), "Too many data rows in matrix file");
+ }
+ }
+
+ @Test(groups = "Functional")
+ public void testParseMatrix_aaindex_tooFewColumns()
+ throws MalformedURLException,
+ IOException
+ {
+ String data = "H MyTest\n" + "M rows=ABC, cols=ABC\n" + "A\t1.0\n"
+ + "B\t4.0\t5.0\n" + "C\t7.0\t8.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+ try
+ {
+ parser.parseMatrix();
+ fail("Expected exception");
+ } catch (FileFormatException e)
+ {
+ assertEquals(
+ e.getMessage(),
+ "Expected 3 scores at line 5: 'C\t7.0\t8.0' but found 2");
+ }
+ }
+
+ /**
+ * Test a successful parse and register of a score matrix file
+ *
+ * @throws IOException
+ * @throws MalformedURLException
+ */
+ @Test(groups = "Functional")
+ public void testParse_ncbiFormat() throws MalformedURLException,
+ IOException
+ {
+ assertNull(ScoreModels.getInstance().getScoreModel("MyNewTest", null));
+
+ String data = "ScoreMatrix MyNewTest\n" + "\tA\tB\tC\n"
+ + "A\t1.0\t2.0\t3.0\n" + "B\t4.0\t5.0\t6.0\n"
+ + "C\t7.0\t8.0\t9.0\n";
+ FileParse fp = new FileParse(data, DataSourceType.PASTE);
+ ScoreMatrixFile parser = new ScoreMatrixFile(fp);
+
+ parser.parse();
+
+ ScoreMatrix sm = (ScoreMatrix) ScoreModels.getInstance().getScoreModel(
+ "MyNewTest", null);
+ assertNotNull(sm);
+ assertEquals(sm.getName(), "MyNewTest");
+ assertEquals(parser.getMatrixName(), "MyNewTest");
+ assertEquals(sm.getPairwiseScore('A', 'A'), 1.0f);
+ assertEquals(sm.getPairwiseScore('B', 'c'), 6.0f);
+ assertEquals(sm.getSize(), 3);
+ }
+}
git://source.jalview.org / jalview.git / blobdiff