/*
* 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.structure;
import static org.junit.Assert.assertArrayEquals;
import static org.testng.Assert.assertNotNull;
import static org.testng.AssertJUnit.assertEquals;
import static org.testng.AssertJUnit.assertTrue;
import jalview.analysis.AlignmentUtils;
import jalview.api.structures.JalviewStructureDisplayI;
import jalview.bin.Cache;
import jalview.datamodel.AlignedCodonFrame;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.Annotation;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
import jalview.ext.jmol.JmolCommands;
import jalview.gui.AlignFrame;
import jalview.gui.Desktop;
import jalview.gui.JvOptionPane;
import jalview.gui.SequenceRenderer;
import jalview.gui.StructureChooser;
import jalview.io.DataSourceType;
import jalview.io.FileLoader;
import jalview.io.Jalview2xmlBase;
import jalview.io.StructureFile;
import jalview.util.MapList;
import jalview.ws.DBRefFetcher;
import jalview.ws.sifts.SiftsSettings;
import java.util.ArrayList;
import java.util.LinkedHashMap;
import java.util.List;
import java.util.Map;
import java.util.SortedMap;
import java.util.TreeMap;
import org.testng.Assert;
import org.testng.annotations.BeforeClass;
import org.testng.annotations.BeforeMethod;
import org.testng.annotations.Test;
@Test(singleThreaded = true)
public class StructureSelectionManagerTest extends Jalview2xmlBase
{
@Override
@BeforeClass(alwaysRun = true)
public void setUpJvOptionPane()
{
JvOptionPane.setInteractiveMode(false);
JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION);
}
private StructureSelectionManager ssm;
@BeforeMethod(alwaysRun = true)
public void setUp()
{
StructureImportSettings.setShowSeqFeatures(true);
ssm = new StructureSelectionManager();
}
@Test(groups = { "Functional" })
public void testRegisterMapping()
{
AlignedCodonFrame acf1 = new AlignedCodonFrame();
acf1.addMap(new Sequence("s1", "ttt"), new Sequence("p1", "p"),
new MapList(new int[] { 1, 3 }, new int[] { 1, 1 }, 1, 1));
AlignedCodonFrame acf2 = new AlignedCodonFrame();
acf2.addMap(new Sequence("s2", "ttt"), new Sequence("p2", "p"),
new MapList(new int[] { 1, 3 }, new int[] { 1, 1 }, 1, 1));
ssm.registerMapping(acf1);
assertEquals(1, ssm.getSequenceMappings().size());
assertTrue(ssm.getSequenceMappings().contains(acf1));
ssm.registerMapping(acf2);
assertEquals(2, ssm.getSequenceMappings().size());
assertTrue(ssm.getSequenceMappings().contains(acf1));
assertTrue(ssm.getSequenceMappings().contains(acf2));
/*
* Re-adding the first mapping does nothing
*/
ssm.registerMapping(acf1);
assertEquals(2, ssm.getSequenceMappings().size());
assertTrue(ssm.getSequenceMappings().contains(acf1));
assertTrue(ssm.getSequenceMappings().contains(acf2));
}
@Test(groups = { "Functional" })
public void testRegisterMappings()
{
AlignedCodonFrame acf1 = new AlignedCodonFrame();
acf1.addMap(new Sequence("s1", "ttt"), new Sequence("p1", "p"),
new MapList(new int[] { 1, 3 }, new int[] { 1, 1 }, 1, 1));
AlignedCodonFrame acf2 = new AlignedCodonFrame();
acf2.addMap(new Sequence("s2", "ttt"), new Sequence("p2", "p"),
new MapList(new int[] { 1, 3 }, new int[] { 1, 1 }, 1, 1));
AlignedCodonFrame acf3 = new AlignedCodonFrame();
acf3.addMap(new Sequence("s3", "ttt"), new Sequence("p3", "p"),
new MapList(new int[] { 1, 3 }, new int[] { 1, 1 }, 1, 1));
List set1 = new ArrayList();
set1.add(acf1);
set1.add(acf2);
List set2 = new ArrayList();
set2.add(acf2);
set2.add(acf3);
/*
* Add both sets twice; each mapping should be added once only
*/
ssm.registerMappings(set1);
ssm.registerMappings(set1);
ssm.registerMappings(set2);
ssm.registerMappings(set2);
assertEquals(3, ssm.getSequenceMappings().size());
assertTrue(ssm.getSequenceMappings().contains(acf1));
assertTrue(ssm.getSequenceMappings().contains(acf2));
assertTrue(ssm.getSequenceMappings().contains(acf3));
}
/**
* Verify that RESNUM sequence features are present after creating a PDB
* mapping
*/
@Test(groups = { "Functional" })
public void testSetMapping_seqFeatures()
{
SequenceI seq = new Sequence(
"1GAQ|B",
"ATYNVKLITPEGEVELQVPDDVYILDQAEEDGIDLPYSCRAGSCSSCAGKVVSGSVDQSDQSYLDDGQIADGWVLTCHAYPTSDVVIETHKEEELTGA");
StructureSelectionManager sm = new StructureSelectionManager();
sm.setProcessSecondaryStructure(true);
sm.setAddTempFacAnnot(true);
StructureFile pmap = sm.setMapping(true, new SequenceI[] { seq },
new String[] { null }, "examples/1gaq.txt", DataSourceType.FILE);
assertTrue(pmap != null);
assertEquals(3, pmap.getSeqs().size());
assertEquals("1GAQ|A", pmap.getSeqs().get(0).getName());
assertEquals("1GAQ|B", pmap.getSeqs().get(1).getName());
assertEquals("1GAQ|C", pmap.getSeqs().get(2).getName());
/*
* Verify a RESNUM sequence feature in the PDBfile sequence
*/
SequenceFeature sf = pmap.getSeqs().get(0).getSequenceFeatures().get(0);
assertEquals("RESNUM", sf.getType());
assertEquals("1gaq", sf.getFeatureGroup());
assertEquals("GLU: 19 1gaqA", sf.getDescription());
/*
* Verify a RESNUM sequence feature in the StructureSelectionManager mapped
* sequence
*/
StructureMapping map = sm.getMapping("examples/1gaq.txt")[0];
sf = map.sequence.getSequenceFeatures().get(0);
assertEquals("RESNUM", sf.getType());
assertEquals("1gaq", sf.getFeatureGroup());
assertEquals("ALA: 1 1gaqB", sf.getDescription());
}
/**
* Verify that RESNUM sequence features are present after creating a PDB
* mapping from a local file, then that everything stays in the same place
* when the file is viewed. The corner case is that 4IM2 is a fragment of a
* PDB file, which still includes the 'ID' field - a bug in Jalview 2.10.3
* causes features, annotation and positions to be remapped to the wrong place
* on viewing the structure
*/
@Test(groups = { "Network" })
public void testMapping_EqualsFeatures()
{
// for some reason 'BeforeMethod' (which should be inherited from
// Jalview2XmlBase isn't always called)...
Desktop.instance.closeAll_actionPerformed(null);
try {
Thread.sleep(200);
} catch (Exception foo) {};
SequenceI seq = new Sequence("4IM2|A",
"LDFCIRNIEKTVMGEISDIHTKLLRLSSSQGTIE");
String P4IM2_MISSING = "examples/testdata/4IM2_missing.pdb";
StructureSelectionManager sm = new StructureSelectionManager();
sm.setProcessSecondaryStructure(true);
sm.setAddTempFacAnnot(true);
StructureFile pmap = sm.setMapping(true, new SequenceI[] { seq },
new String[]
{ null }, P4IM2_MISSING,
DataSourceType.FILE);
assertTrue(pmap != null);
assertEquals(1, pmap.getSeqs().size());
assertEquals("4IM2|A", pmap.getSeqs().get(0).getName());
List structuremap1 = new ArrayList(
sm.getMapping(P4IM2_MISSING)[0]
.getPDBResNumRanges(seq.getStart(), seq.getEnd()));
/*
* Verify a RESNUM sequence feature in the PDBfile sequence
* LEU468 - start+0
* VAL479 - start+11
* MET486 - start+12
* GLY496 - start+13
* GLU516 - start+33 (last)
*
* Expect features and mapping to resolve to same residues.
* Also try creating a view and test again
*
*/
String[] feats = new String[] { "LEU", "468", "VAL", "479", "MET",
"486", "GLY", "496", "GLU", "516" };
int[] offset = new int[] { 0, 11, 12, 13, 33 };
List fdesc = new ArrayList<>();
for (int f = 0; f < feats.length; f += 2)
{
fdesc.add(feats[f] + ": " + feats[f + 1] + " 4im2A");
}
SequenceI pdbseq = pmap.getSeqs().get(0);
verifySeqFeats(pdbseq, offset, fdesc);
/// Now load as a view
AlignFrame alf = new FileLoader(false).LoadFileWaitTillLoaded(
"examples/testdata/4IM2_missing.pdb", DataSourceType.FILE);
Desktop.addInternalFrame(alf, "examples/testdata/4IM2_missing.pdb", 800,
400);
AlignmentI pdbal = alf.getViewport().getAlignment();
SequenceI pdb_viewseq = pdbal.getSequenceAt(0);
assertEquals(pdb_viewseq.getSequenceAsString(),
seq.getSequenceAsString());
// verify the feature location on the sequence when pdb imported as an
// alignment
verifySeqFeats(pdb_viewseq, offset, fdesc);
JalviewStructureDisplayI viewr = openStructureViaChooser(alf,
pdb_viewseq, "4IM2");
// and check all is good with feature location still
verifySeqFeats(pdb_viewseq, offset, fdesc);
// finally check positional mapping for sequence and structure
PDBEntry pdbe = seq.getPDBEntry("4IM2");
StructureSelectionManager apssm = alf.alignPanel
.getStructureSelectionManager();
StructureMapping[] smap = apssm
.getMapping(pdbe.getFile());
assertNotNull(smap);
assertNotNull(smap[0]);
// find the last position in the alignment sequence - this is not
// 'SequenceI.getEnd()' - which gets the last PDBRESNUM rather than
// SequenceI.getStart() + number of residues in file...
int realSeqEnd = pdb_viewseq.findPosition(pdb_viewseq.getLength());
List ranges = smap[0].getPDBResNumRanges(pdb_viewseq.getStart(),
realSeqEnd);
assertEquals(structuremap1.size(), ranges.size());
int tot_mapped = 0;
for (int p = 0; p < ranges.size(); p++)
{
assertArrayEquals(structuremap1.get(p), ranges.get(p));
tot_mapped += 1 + (structuremap1.get(p)[1] - structuremap1.get(p)[0]);
}
assertEquals(pdb_viewseq.getLength(), tot_mapped);
int lastmappedp = StructureMapping.UNASSIGNED_VALUE;
for (int rp = pdb_viewseq.getStart(), rpEnd = pdb_viewseq
.findPosition(pdb_viewseq.getLength() - 1); rp <= rpEnd; rp++)
{
int mappedp = smap[0].getPDBResNum(rp);
if (mappedp != StructureMapping.UNASSIGNED_VALUE)
{
tot_mapped--;
if (lastmappedp == mappedp)
{
Assert.fail("Duplicate mapped position at " + rp + " (dupe = "
+ mappedp + ")");
}
}
}
Assert.assertEquals(tot_mapped, 0,
"Different number of mapped residues compared to ranges of mapped residues");
// positional mapping to atoms for color by structure is still wrong, even
// though panel looks correct.
StructureMappingcommandSet smcr[] = JmolCommands
.getColourBySequenceCommand(apssm,
new String[]
{ pdbe.getFile() },
new SequenceI[][]
{ new SequenceI[] { pdb_viewseq } },
new SequenceRenderer(alf.alignPanel.getAlignViewport()),
alf.alignPanel);
// Expected - all residues are white
for (StructureMappingcommandSet smm : smcr)
{
for (String c : smm.commands)
{
System.out.println(c);
}
}
}
private void verifySeqFeats(SequenceI pdbseq, int[] offset,
List fdesc)
{
for (int o = 0; o < offset.length; o++)
{
int res = pdbseq.findPosition(offset[o]);
List sf = pdbseq.getFeatures().findFeatures(res, res,
"RESNUM");
assertEquals("Expected sequence feature at position " + res + "("
+ offset[o] + ")", 1, sf.size());
assertEquals("Wrong description at " + res + "(" + offset[o] + ")",
fdesc.get(o), sf.get(0).getDescription());
}
}
@Test(groups = { "Network" })
public void testAssociatedMappingToSubSeq() throws Exception
{
// currently this test fails if trimming is enabled
Cache.setProperty(DBRefFetcher.TRIM_RETRIEVED_SEQUENCES,
Boolean.FALSE.toString());
String TEMP_FACTOR_AA="Temperature Factor";
String PDBID = "4IM2";
String FullLengthSeq = ">TBK1_HUMAN Serine/threonine-protein kinase TBK1\n" +
"MQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLFAIKVFNNISFLRPVDVQMREFEVLKKLNHKNIVKLFA\n" +
"IEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGLPESEFLIVLRDVVGGMNHLRENGIVHRDIKPGNIMRV\n" +
"IGEDGQSVYKLTDFGAARELEDDEQFVSLYGTEEYLHPDMYERAVLRKDHQKKYGATVDLWSIGVTFYHAAT\n" +
"GSLPFRPFEGPRRNKEVMYKIITGKPSGAISGVQKAENGPIDWSGDMPVSCSLSRGLQVLLTPVLANILEAD\n" +
"QEKCWGFDQFFAETSDILHRMVIHVFSLQQMTAHKIYIHSYNTATIFHELVYKQTKIISSNQELIYEGRRLV\n" +
"LEPGRLAQHFPKTTEENPIFVVSREPLNTIGLIYEKISLPKVHPRYDLDGDASMAKAITGVVCYACRIASTL\n" +
"LLYQELMRKGIRWLIELIKDDYNETVHKKTEVVITLDFCIRNIEKTVKVYEKLMKINLEAAELGEISDIHTK\n" +
"LLRLSSSQGTIETSLQDIDSRLSPGGSLADAWAHQEGTHPKDRNVEKLQVLLNCMTEIYYQFKKDKAERRLA\n" +
"YNEEQIHKFDKQKLYYHATKAMTHFTDECVKKYEAFLNKSEEWIRKMLHLRKQLLSLTNQCFDIEEEVSKYQ\n" +
"EYTNELQETLPQKMFTASSGIKHTMTPIYPSSNTLVEMTLGMKKLKEEMEGVVKELAENNHILERFGSLTMD\n" +
"GGLRNVDCL";
/*
* annotation exported after importing full length sequence to desktop, opening 4IM2 and selecting 'Add Reference Annotation'.
*
* Note - tabs must be replaced with \t - Eclipse expands them to spaces otherwise.
*/
String FullLengthAnnot = "JALVIEW_ANNOTATION\n" +
"# Created: Mon Feb 05 15:30:20 GMT 2018\n" +
"# Updated: Fri Feb 09 17:05:17 GMT 2018\n" +
"\n" +
"\n" +
"SEQUENCE_REF\tTBK1_HUMAN\n"
+ "LINE_GRAPH\tTemperature Factor\tTemperature Factor for 4im2A\t125.22|128.51|120.35|113.12|122.6|114.44|91.49|102.53|98.22|111.41|111.32|116.64|103.55|100.53|95.07|105.55|114.76|128.29|133.55|142.14|121.12|110.36|95.79|95.39|87.14|99.56|93.55|94.21|100.33|110.68|97.85|82.37|75.87|76.53|77.85|82.49|80.92|96.88|122.58|133.31|160.15|180.51|||||242.88|258.97|247.01|227.12|223.24|211.62|184.65|183.51|168.96|160.04|150.88|131.68|130.43|139.87|148.59|136.57|125.7|96.51|74.49|74.08|85.87|70.93|86.47|101.59|97.51|97.39|117.19|114.27|129.5|112.98|147.52|170.26|154.98|168.18|157.51|131.95|105.85|97.78|97.35|76.51|76.31|72.55|71.43|78.82|79.94|75.04|79.54|77.95|83.56|88.5|71.51|71.73|75.96|82.36|81.75|66.51|67.23|69.35|67.92|54.75|71.19|61.85|65.34|67.97|64.51|67.41|62.28|72.85|72.76|70.64|65.23|71.07|67.73|87.72|64.93|75.92|94.02|99.35|93.71|103.59|106.29|115.46|118.69|147.18|130.62|171.64|158.95|164.11||107.42|88.53|83.52|88.06|94.06|80.82|59.01|59.73|78.89|69.21|70.34|81.95|74.53|60.92|64.65|55.79|75.71|68.86|70.95|75.08|87.76|85.43|105.84|||||||||||||||||137.46|151.33|145.17|122.79|111.56|126.72|124.06|161.75|176.84|180.51|198.49|196.75|187.41||195.23|202.27|203.16|226.55|221.75|193.83||||||172.33|177.97|151.47|132.65|99.22|93.7|91.15|88.24|72.35|70.05|70.0|74.92|66.51|68.37|65.76|70.12|74.97|76.89|80.83|70.21|69.48|79.54|82.65|96.54|114.31|140.46|168.51|176.99|205.08|209.27|155.83|139.41|151.3|129.33|111.31|119.62|121.37|102.26|115.39|129.97|128.65|110.38|110.66|116.1|82.53|84.02|82.17|87.63|86.42|77.23|91.23|95.53|102.21|120.73|133.26|109.67|108.49|93.25|92.85|86.39|95.66|94.92|85.82|80.13|76.17|86.61|78.9|77.97|105.6|70.66|69.35|78.94|66.68|63.03|69.91|79.05|75.43|70.73|70.02|80.57|81.74|77.99|84.1|91.66|92.42|94.03|116.47|132.01|154.55|163.99|161.37|155.23|132.78|109.3|90.38|101.83|99.61|91.68|82.77|86.12|82.73|90.13|85.14|79.54|74.27|74.06|72.88|86.34|72.0|69.32|60.9|68.15|52.99|63.53|61.3|66.01|68.28|77.41|71.52|67.18|66.17|71.51|65.47|52.63|65.08|66.37|73.76|77.79|67.58|79.53|84.75|87.42|78.9|79.19|85.57|73.67|80.56|86.19|72.17|66.27|72.8|86.28|78.89|74.5|90.6|80.42|92.5|92.84|96.18|92.08|88.5|87.25|64.6|68.95|65.56|67.55|71.62|78.24|84.95|71.35|86.41|84.73|94.41|95.09|84.74|87.64|88.85|75.1|86.42|79.28|73.14|78.54|80.81|60.66|67.93|71.64|59.85|64.7|61.22|63.84|65.9|62.18|74.95|72.92|93.37|90.47|96.0|93.8|88.46|79.78|83.4|66.55|68.7|73.2|78.76|85.67|84.8|89.59|96.52|79.53|103.51|134.72|126.7|145.31|156.17|149.35|128.48|117.29|118.98|131.59|109.36|90.39|87.68|91.81|78.77|80.11|91.39|75.57|78.98|71.53|76.85|70.9|64.71|73.55|73.45|60.0|69.92|57.89|69.07|66.45|62.85|57.83|57.89|66.4|61.61|60.85|66.47|63.53|63.84|65.96|73.06|70.82|64.51|63.66|73.37|73.59|68.09|78.93|76.99|75.05|71.32|88.4|78.88|93.08|110.61|94.32|99.24|128.99|129.49|132.74|124.21|120.32|142.06|166.41|149.87|153.29|172.19|165.89|181.6|223.11|237.73|176.41|171.09|189.65|188.61|154.84|142.72|154.25|170.99|175.65|||||||110.61||||||||||158.07|170.73|167.93|198.47|212.36|181.71|157.69|163.31|138.96|120.29|131.63|152.26|125.06|136.66|148.97|129.68|120.52|135.31|136.05|119.39|124.18|128.94|123.02|103.37|128.44|134.12|118.88|120.94|130.38|124.67|112.21|113.69|123.65|132.06|114.97|110.75|92.38|101.2|103.25|94.84|85.3|82.19|89.81|98.81|83.03|68.91|65.24|70.31|63.49|86.38|71.07|62.65|63.95|66.98|58.06|68.28|62.11|63.86|67.4|68.69|69.57|68.03|74.23|75.66|70.67|81.08|81.31|82.49|88.15|95.99|92.97|100.01|113.18|122.37|110.99|122.19|159.27|147.74|133.96|111.2|115.64|126.55|107.15|102.85|117.06|116.56|109.55|96.82|98.92|96.53|86.0|88.11|92.76|85.77|79.41|93.06|86.96|76.35|72.37|74.19|68.6|67.46|74.47|76.25|66.73|73.18|75.2|88.21|84.93|75.04|71.09|82.6|80.03|76.22|75.76|83.72|75.85|79.36|90.35|86.9|78.24|95.64|97.38|86.41|85.02|91.87|87.36|77.56|81.25|91.66|83.65|77.67|85.07|89.21|92.66|92.46|89.0|100.83|96.71|94.81|101.37|111.28|124.48|119.73|127.81|134.41|132.4|140.32|140.86|166.52|160.16|168.39|176.74|174.63|172.86|168.55|155.9|132.71|113.44|113.49|123.9|151.11|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||\n"
+
"\n" +
"";
AlignFrame alf_full=new
FileLoader(false).LoadFileWaitTillLoaded(FullLengthSeq,DataSourceType.PASTE);
alf_full.loadJalviewDataFile(FullLengthAnnot, DataSourceType.PASTE, null, null);
AlignmentI al_full = alf_full.getViewport().getAlignment();
AlignmentAnnotation fullseq_tf = al_full.findAnnotations(al_full.getSequences().get(0), null, TEMP_FACTOR_AA).iterator()
.next();
assertNotNull(fullseq_tf);
// getMappingFor
// AlignmentI al_full=alf_full.getViewport().getAlignment();
//
// // load 4IM2 (full length, SIFTS onto full alingnment)
// SiftsSettings.setMapWithSifts(true);
// StructureChooser schoose = new StructureChooser(selectedSeqs_full,
// seq_full,
// alf_full.getViewport().getAlignPanel());
// schoose.selectStructure(PDBID);
// schoose.ok_ActionPerformed();
AlignFrame alf = new FileLoader(false).LoadFileWaitTillLoaded(
">TBK1_HUMAN/470-502 Serine/threonine-protein kinase TBK1\nFCIRNIEKTVKVYEKLMKINLEAAELGEISDIH",
DataSourceType.PASTE);
Desktop.addInternalFrame(alf, "Foo", 800, 600);
;
AlignmentI al = alf.getViewport().getAlignment();
SequenceI seq = al.getSequenceAt(0);
assertEquals(470, seq.getStart());
// load 4IM2 (full length, SIFTS)
SiftsSettings.setMapWithSifts(true);
StructureImportSettings.setProcessSecondaryStructure(true);
StructureImportSettings.setVisibleChainAnnotation(true);
JalviewStructureDisplayI sview = openStructureViaChooser(alf, seq,
PDBID);
AlignmentAnnotation subseq_tf=null;
assertTrue(seq.getDBRefs() != null && seq.getDBRefs().length > 0);
if (!al.findAnnotations(seq, null, TEMP_FACTOR_AA).iterator().hasNext())
{
// FIXME JAL-2321 - don't see reference annotation on alignment the first
// time
// around
SortedMap tipEntries = new TreeMap<>();
final Map> candidates = new LinkedHashMap<>();
AlignmentUtils.findAddableReferenceAnnotations(al.getSequences(),
tipEntries, candidates, al);
AlignmentUtils.addReferenceAnnotations(candidates, al, null);
if (!al.findAnnotations(seq, null, TEMP_FACTOR_AA).iterator()
.hasNext())
{
Assert.fail(
"JAL-2321 or worse has occured. No secondary structure added to alignment.");
}
}
subseq_tf = al.findAnnotations(seq, null, TEMP_FACTOR_AA).iterator()
.next();
// verify against annotation after loading 4IM2 to full length TBK1_HUMAN
// verify location of mapped residues
// verify location of secondary structure annotation
// Specific positions: LYS477 (h),THR478 (no helix), ... GLY496(no helix),
// GLU497 (helix),
// check there is or is not a tempfactor for each mapped position, and that
// values are equal for those positions.
for (int p=seq.getStart();p<=seq.getEnd();p++)
{
Annotation orig,subseq;
orig = fullseq_tf.getAnnotationForPosition(p);
subseq = subseq_tf.getAnnotationForPosition(p);
if (orig == null)
{
Assert.assertNull(subseq,
"Expected no annotation transferred at position " + p);
}
;
if (orig != null)
{
Assert.assertNotNull(subseq,
"Expected annotation transfer at position " + p);
assertEquals(orig.value, subseq.value);
}
;
}
}
private JalviewStructureDisplayI openStructureViaChooser(AlignFrame alf,
SequenceI seq,
String pDBID)
{
SequenceI[] selectedSeqs = new SequenceI[] { seq };
StructureChooser schoose = new StructureChooser(selectedSeqs, seq,
alf.getViewport().getAlignPanel());
try
{
Thread.sleep(5000);
} catch (InterruptedException q)
{
}
;
Assert.assertTrue(schoose.selectStructure(pDBID),
"Couldn't select structure via structure chooser: " + pDBID);
schoose.showStructures(true);
return schoose.getOpenedStructureViewer();
}
}