2 * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
3 * Copyright (C) 2014 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.ext.paradise;
23 import static org.junit.Assert.assertTrue;
25 import jalview.datamodel.AlignmentI;
26 import jalview.datamodel.SequenceI;
27 import jalview.ext.paradise.Annotate3D;
28 import jalview.io.FastaFile;
29 import jalview.io.FormatAdapter;
31 import java.io.BufferedReader;
33 import java.io.Reader;
34 import java.util.Iterator;
36 import org.junit.Assert;
37 import org.junit.Test;
39 import MCview.PDBfile;
41 import compbio.util.FileUtil;
43 public class TestAnnotate3D
47 public void test1GIDbyId() throws Exception
49 // use same ID as standard tests given at https://bitbucket.org/fjossinet/pyrna-rest-clients
50 Iterator<Reader> ids = Annotate3D.getRNAMLForPDBId("1GID");
51 assertTrue("Didn't retrieve 1GID by id.", ids != null);
52 testRNAMLcontent(ids,null);
56 public void testIdVsContent2GIS() throws Exception
58 Iterator<Reader> ids = Annotate3D.getRNAMLForPDBId("2GIS");
59 assertTrue("Didn't retrieve 2GIS by id.", ids != null);
60 Iterator<Reader> files = Annotate3D.getRNAMLForPDBFileAsString(FileUtil
61 .readFileToString(new File("examples/2GIS.pdb")));
62 assertTrue("Didn't retrieve using examples/2GIS.pdb.", files != null);
64 while (ids.hasNext() && files.hasNext())
66 BufferedReader file = new BufferedReader(files.next()), id = new BufferedReader(
71 iline = id.readLine();
72 fline = file.readLine();
74 System.out.println(iline);
76 System.out.println(fline);
77 // next assert fails for latest RNAview - because the XMLID entries
78 // change between file and ID based RNAML generation.
80 "Results differ for ID and file upload based retrieval (chain entry "
82 ((iline == fline && iline == null) || (iline != null
83 && fline != null && iline.equals(fline))));
85 } while (iline != null);
90 * test to demonstrate JAL-1142 - compare sequences in RNAML returned from
91 * Annotate3d vs those extracted by Jalview from the originl PDB file
96 public void testPDBfileVsRNAML() throws Exception
98 PDBfile pdbf = new PDBfile("examples/2GIS.pdb", FormatAdapter.FILE);
99 Assert.assertTrue(pdbf.isValid());
100 // Comment - should add new FileParse constructor like new FileParse(Reader
101 // ..). for direct reading
102 Iterator<Reader> readers = Annotate3D
103 .getRNAMLForPDBFileAsString(FileUtil.readFileToString(new File(
104 "examples/2GIS.pdb")));
105 testRNAMLcontent(readers, pdbf);
108 private void testRNAMLcontent(Iterator<Reader> readers, PDBfile pdbf)
111 StringBuffer sb = new StringBuffer();
113 while (readers.hasNext())
115 System.out.println("Testing RNAML input number " + (++r));
116 BufferedReader br = new BufferedReader(readers.next());
118 while ((line = br.readLine()) != null)
120 sb.append(line + "\n");
122 assertTrue("No data returned by Annotate3D", sb.length() > 0);
123 AlignmentI al = new FormatAdapter().readFile(sb.toString(),
124 FormatAdapter.PASTE, "RNAML");
125 if (al==null || al.getHeight()==0) {
126 System.out.println(sb.toString());
128 assertTrue("No alignment returned.", al != null);
129 assertTrue("No sequences in returned alignment.", al.getHeight() > 0);
132 for (SequenceI sq : al.getSequences())
135 SequenceI struseq = null;
136 String sq_ = new String(sq.getSequence()).toLowerCase();
137 for (SequenceI _struseq : pdbf.getSeqsAsArray())
139 if (new String(_struseq.getSequence()).toLowerCase().equals(
148 Assert.fail("Couldn't find this sequence in original input:\n"
149 + new FastaFile().print(new SequenceI[]
151 + "\n\nOriginal input:\n"
152 + new FastaFile().print(pdbf.getSeqsAsArray()) + "\n");