package jalview.ext.paradise; import static org.junit.Assert.assertTrue; import jalview.datamodel.AlignmentI; import jalview.datamodel.SequenceI; import jalview.ext.paradise.Annotate3D; import jalview.io.FastaFile; import jalview.io.FormatAdapter; import java.io.BufferedReader; import java.io.File; import java.io.Reader; import java.util.Iterator; import org.junit.Assert; import org.junit.Test; import MCview.PDBfile; import compbio.util.FileUtil; public class TestAnnotate3D { @Test public void testIdVsContent() throws Exception { Iterator ids = Annotate3D .getRNAMLForPDBId("2GIS"); assertTrue("Didn't retrieve 2GIS by id.", ids != null); Iterator files = Annotate3D .getRNAMLForPDBFileAsString(FileUtil.readFileToString(new File( "examples/2GIS.pdb"))); assertTrue("Didn't retrieve using examples/2GIS.pdb.", files != null); int i=0; while (ids.hasNext() && files.hasNext()) { BufferedReader file=new BufferedReader(files.next()), id=new BufferedReader(ids.next()); String iline, fline; do { iline = id.readLine(); fline = file.readLine(); if (iline != null) System.out.println(iline); if (fline != null) System.out.println(fline); // next assert fails for latest RNAview - because the XMLID entries change between file and ID based RNAML generation. assertTrue("Results differ for ID and file upload based retrieval (chain entry "+(++i)+")", ((iline == fline && iline == null) || (iline != null && fline != null && iline.equals(fline)))); } while (iline != null); } } /** * test to demonstrate JAL-1142 - compare sequences in RNAML returned from * Annotate3d vs those extracted by Jalview from the originl PDB file * * @throws Exception */ @Test public void testPDBfileVsRNAML() throws Exception { PDBfile pdbf = new PDBfile("examples/2GIS.pdb", FormatAdapter.FILE); Assert.assertTrue(pdbf.isValid()); StringBuffer sb = new StringBuffer(); // Comment - should add new FileParse constructor like new FileParse(Reader // ..). for direct reading Iterator readers = Annotate3D .getRNAMLForPDBFileAsString(FileUtil.readFileToString(new File( "examples/2GIS.pdb"))); int r=0; while (readers.hasNext()) { System.out.println("Testing RNAML input number "+(++r)); BufferedReader br = new BufferedReader(readers.next()); String line; while ((line = br.readLine()) != null) { sb.append(line + "\n"); } assertTrue("No data returned by Annotate3D", sb.length() > 0); AlignmentI al = new FormatAdapter().readFile(sb.toString(), FormatAdapter.PASTE, "RNAML"); assertTrue("No alignment returned.", al != null); assertTrue("No sequences in returned alignment.", al.getHeight() > 0); for (SequenceI sq : al.getSequences()) { { SequenceI struseq = null; String sq_ = new String(sq.getSequence()).toLowerCase(); for (SequenceI _struseq : pdbf.getSeqsAsArray()) { if (new String(_struseq.getSequence()).toLowerCase() .equals(sq_)) { struseq = _struseq; break; } } if (struseq == null) { Assert.fail("Couldn't find this sequence in original input:\n" + new FastaFile().print(new SequenceI[] { sq }) + "\n\nOriginal input:\n" + new FastaFile().print(pdbf.getSeqsAsArray()) + "\n"); } } } } } }