1. Project Clover database Fri Dec 6 2024 13:47:14 GMT
  2. Package jalview.io

File StockholmFileTest.java

 

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StockholmFileTest 53 253 93
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Contributing tests

This file is covered by 16 tests. .

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1    /*
2    * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3    * Copyright (C) $$Year-Rel$$ The Jalview Authors
4    *
5    * This file is part of Jalview.
6    *
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.
11    *
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.
16    *
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.
20    */
21    package jalview.io;
22   
23    import static org.testng.Assert.assertTrue;
24    import static org.testng.AssertJUnit.assertEquals;
25    import static org.testng.AssertJUnit.assertNotNull;
26    import static org.testng.AssertJUnit.assertTrue;
27    import static org.testng.AssertJUnit.fail;
28   
29    import java.io.File;
30    import java.util.Arrays;
31    import java.util.BitSet;
32    import java.util.HashMap;
33    import java.util.List;
34    import java.util.Map;
35    import java.util.regex.Matcher;
36    import java.util.regex.Pattern;
37   
38    import org.testng.Assert;
39    import org.testng.annotations.BeforeClass;
40    import org.testng.annotations.Test;
41   
42    import jalview.datamodel.Alignment;
43    import jalview.datamodel.AlignmentAnnotation;
44    import jalview.datamodel.AlignmentI;
45    import jalview.datamodel.Annotation;
46    import jalview.datamodel.DBRefEntry;
47    import jalview.datamodel.Sequence;
48    import jalview.datamodel.SequenceFeature;
49    import jalview.datamodel.SequenceI;
50    import jalview.gui.JvOptionPane;
51    import jalview.util.DBRefUtils;
52   
 
53    public class StockholmFileTest
54    {
55   
 
56  1 toggle @BeforeClass(alwaysRun = true)
57    public void setUpJvOptionPane()
58    {
59  1 JvOptionPane.setInteractiveMode(false);
60  1 JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION);
61    }
62   
63    static String PfamFile = "examples/PF00111_seed.stk",
64    RfamFile = "examples/RF00031_folded.stk",
65    RnaSSTestFile = "examples/rna_ss_test.stk";
66   
 
67  1 toggle @Test(groups = { "Functional" })
68    public void pfamFileIO() throws Exception
69    {
70  1 testFileIOwithFormat(new File(PfamFile), FileFormat.Stockholm, -1, 0,
71    false, false, false);
72    }
73   
 
74  1 toggle @Test(groups = { "Functional" })
75    public void pfamFileDataExtraction() throws Exception
76    {
77  1 AppletFormatAdapter af = new AppletFormatAdapter();
78  1 AlignmentI al = af.readFile(PfamFile, DataSourceType.FILE,
79    new IdentifyFile().identify(PfamFile, DataSourceType.FILE));
80  1 int numpdb = 0;
81  1 for (SequenceI sq : al.getSequences())
82    {
83  206 if (sq.getAllPDBEntries() != null)
84    {
85  206 numpdb += sq.getAllPDBEntries().size();
86    }
87    }
88  1 assertTrue(
89    "PF00111 seed alignment has at least 1 PDB file, but the reader found none.",
90    numpdb > 0);
91    }
92   
 
93  1 toggle @Test(groups = { "Functional" })
94    public void rfamFileIO() throws Exception
95    {
96  1 testFileIOwithFormat(new File(RfamFile), FileFormat.Stockholm, 2, 1,
97    false, false, false);
98    }
99   
100    /**
101    * JAL-3529 - verify uniprot refs for sequences are output for sequences
102    * retrieved via Pfam
103    */
 
104  1 toggle @Test(groups = { "Functional" })
105    public void dbrefOutput() throws Exception
106    {
107    // sequences retrieved in a Pfam domain alignment also have a PFAM database
108    // reference
109  1 SequenceI sq = new Sequence("FER2_SPIOL", "AASSDDDFFF");
110  1 sq.addDBRef(new DBRefEntry("UNIPROT", "1", "P00224"));
111  1 sq.addDBRef(new DBRefEntry("PFAM", "1", "P00224.1"));
112  1 sq.addDBRef(new DBRefEntry("PFAM", "1", "PF00111"));
113  1 AppletFormatAdapter af = new AppletFormatAdapter();
114  1 String toStockholm = af.formatSequences(FileFormat.Stockholm,
115    new Alignment(new SequenceI[]
116    { sq }), false);
117  1 System.out.println(toStockholm);
118    // bleh - java.util.Regex sucks
119  1 assertTrue(
120    Pattern.compile(
121    "^#=GS\\s+FER2_SPIOL(/\\d+-\\d+)?\\s+AC\\s+P00224$",
122    Pattern.MULTILINE).matcher(toStockholm).find(),
123    "Couldn't locate UNIPROT Accession in generated Stockholm file.");
124  1 AlignmentI fromStockholm = af.readFile(toStockholm,
125    DataSourceType.PASTE, FileFormat.Stockholm);
126  1 SequenceI importedSeq = fromStockholm.getSequenceAt(0);
127  1 assertTrue(importedSeq.getDBRefs().size() == 1,
128    "Expected just one database reference to be added to sequence.");
129  1 assertTrue(
130    importedSeq.getDBRefs().get(0).getAccessionId()
131    .indexOf(" ") == -1,
132    "Spaces were found in accession ID.");
133  1 List<DBRefEntry> dbrefs = DBRefUtils.searchRefs(importedSeq.getDBRefs(),
134    "P00224");
135  1 assertTrue(dbrefs.size() == 1,
136    "Couldn't find Uniprot DBRef on re-imported sequence.");
137   
138    }
139   
 
140  1 toggle @Test(groups = { "Functional" })
141    public void descriptionLineOutput() throws Exception
142    {
143    // quick test that sequence description is exported & reimported
144   
145  1 SequenceI sq = new Sequence("FER2_SPIOL", "AASSDDDFFF");
146  1 String expected_descr = "This is a description !@&^%@£@";
147  1 sq.setDescription(expected_descr);
148  1 AppletFormatAdapter af = new AppletFormatAdapter();
149  1 String toStockholm = af.formatSequences(FileFormat.Stockholm,
150    new Alignment(new SequenceI[]
151    { sq }), false);
152  1 System.out.println(toStockholm);
153   
154    // bleh - java.util.Regex sucks
155  1 assertTrue(toStockholm.contains(expected_descr),
156    "Couldn't locate expected description srting in generated Stockholm file.");
157   
158  1 AlignmentI fromStockholm = af.readFile(toStockholm,
159    DataSourceType.PASTE, FileFormat.Stockholm);
160  1 SequenceI importedSeq = fromStockholm.getSequenceAt(0);
161  1 assertEquals("Description did not get reimported.", expected_descr,
162    importedSeq.getDescription());
163    }
164   
165    /**
166    * test alignment data in given file can be imported, exported and reimported
167    * with no dataloss
168    *
169    * @param f
170    * - source datafile (IdentifyFile.identify() should work with it)
171    * @param ioformat
172    * - label for IO class used to write and read back in the data from
173    * f
174    * @param ignoreFeatures
175    * @param ignoreRowVisibility
176    * @param allowNullAnnotations
177    */
178   
 
179  3 toggle public static void testFileIOwithFormat(File f, FileFormatI ioformat,
180    int naliannot, int nminseqann, boolean ignoreFeatures,
181    boolean ignoreRowVisibility, boolean allowNullAnnotations)
182    {
183  3 System.out.println("Reading file: " + f);
184  3 String ff = f.getPath();
185  3 try
186    {
187  3 AppletFormatAdapter rf = new AppletFormatAdapter();
188   
189  3 AlignmentI al = rf.readFile(ff, DataSourceType.FILE,
190    new IdentifyFile().identify(ff, DataSourceType.FILE));
191   
192  3 assertNotNull("Couldn't read supplied alignment data.", al);
193   
194    // make sure dataset is initialised ? not sure about this
195  272 for (int i = 0; i < al.getSequencesArray().length; ++i)
196    {
197  269 al.getSequenceAt(i).createDatasetSequence();
198    }
199  3 String outputfile = rf.formatSequences(ioformat, al, true);
200  3 System.out.println("Output file in '" + ioformat + "':\n" + outputfile
201    + "\n<<EOF\n");
202    // test for consistency in io
203  3 AlignmentI al_input = new AppletFormatAdapter().readFile(outputfile,
204    DataSourceType.PASTE, ioformat);
205  3 assertNotNull("Couldn't parse reimported alignment data.", al_input);
206   
207  3 FileFormatI identifyoutput = new IdentifyFile().identify(outputfile,
208    DataSourceType.PASTE);
209  3 assertNotNull("Identify routine failed for outputformat " + ioformat,
210    identifyoutput);
211  3 assertTrue(
212    "Identify routine could not recognise output generated by '"
213    + ioformat + "' writer",
214    ioformat.equals(identifyoutput));
215  3 testAlignmentEquivalence(al, al_input, ignoreFeatures,
216    ignoreRowVisibility, allowNullAnnotations);
217  3 int numaliannot = 0, numsqswithali = 0;
218  3 for (AlignmentAnnotation ala : al_input.getAlignmentAnnotation())
219    {
220  80 if (ala.sequenceRef == null)
221    {
222  4 numaliannot++;
223    }
224    else
225    {
226  76 numsqswithali++;
227    }
228    }
229  3 if (naliannot > -1)
230    {
231  1 assertEquals("Number of alignment annotations", naliannot,
232    numaliannot);
233    }
234   
235  3 assertTrue(
236    "Number of sequence associated annotations wasn't at least "
237    + nminseqann,
238    numsqswithali >= nminseqann);
239   
240    } catch (Exception e)
241    {
242  0 e.printStackTrace();
243  0 assertTrue("Couln't format the alignment for output file.", false);
244    }
245    }
246   
247    /**
248    * assert alignment equivalence
249    *
250    * @param al
251    * 'original'
252    * @param al_input
253    * 'secondary' or generated alignment from some datapreserving
254    * transformation
255    * @param ignoreFeatures
256    * when true, differences in sequence feature annotation are ignored
257    */
 
258  0 toggle public static void testAlignmentEquivalence(AlignmentI al,
259    AlignmentI al_input, boolean ignoreFeatures)
260    {
261  0 testAlignmentEquivalence(al, al_input, ignoreFeatures, false, false);
262    }
263   
264    /**
265    * assert alignment equivalence - uses special comparators for RNA structure
266    * annotation rows.
267    *
268    * @param al
269    * 'original'
270    * @param al_input
271    * 'secondary' or generated alignment from some datapreserving
272    * transformation
273    * @param ignoreFeatures
274    * when true, differences in sequence feature annotation are ignored
275    *
276    * @param ignoreRowVisibility
277    * when true, do not fail if there are differences in the visibility
278    * of annotation rows
279    * @param allowNullAnnotation
280    * when true, positions in alignment annotation that are null will be
281    * considered equal to positions containing annotation where
282    * Annotation.isWhitespace() returns true.
283    *
284    */
 
285  13 toggle public static void testAlignmentEquivalence(AlignmentI al,
286    AlignmentI al_input, boolean ignoreFeatures,
287    boolean ignoreRowVisibility, boolean allowNullAnnotation)
288    {
289  13 assertNotNull("Original alignment was null", al);
290  13 assertNotNull("Generated alignment was null", al_input);
291   
292  13 assertTrue(
293    "Alignment dimension mismatch: original: " + al.getHeight()
294    + "x" + al.getWidth() + ", generated: "
295    + al_input.getHeight() + "x" + al_input.getWidth(),
296    al.getHeight() == al_input.getHeight()
297    && al.getWidth() == al_input.getWidth());
298   
299    // check Alignment annotation
300  13 AlignmentAnnotation[] aa_new = al_input.getAlignmentAnnotation();
301  13 AlignmentAnnotation[] aa_original = al.getAlignmentAnnotation();
302  13 boolean expectProteinSS = !al.isNucleotide();
303  13 assertTrue(
304    "Alignments not both "
305  13 + (al.isNucleotide() ? "nucleotide" : "protein"),
306    al_input.isNucleotide() == al.isNucleotide());
307   
308    // note - at moment we do not distinguish between alignment without any
309    // annotation rows and alignment with no annotation row vector
310    // we might want to revise this in future
311  13 int aa_new_size = (aa_new == null ? 0 : aa_new.length);
312  13 int aa_original_size = (aa_original == null ? 0 : aa_original.length);
313  13 Map<Integer, BitSet> orig_groups = new HashMap<>();
314  13 Map<Integer, BitSet> new_groups = new HashMap<>();
315   
316  13 if (aa_new != null && aa_original != null)
317    {
318  173 for (int i = 0; i < aa_original.length; i++)
319    {
320  163 if (aa_new.length > i)
321    {
322  163 assertEqualSecondaryStructure(
323    "Different alignment annotation at position " + i,
324    aa_original[i], aa_new[i], allowNullAnnotation);
325  163 if (aa_original[i].hasIcons)
326    {
327  83 assertTrue(
328    "Secondary structure expected to be "
329  83 + (expectProteinSS ? "protein" : "nucleotide"),
330    expectProteinSS == !aa_original[i].isRNA());
331    }
332    // compare graphGroup or graph properties - needed to verify JAL-1299
333  163 assertEquals("Graph type not identical.", aa_original[i].graph,
334    aa_new[i].graph);
335  163 if (!ignoreRowVisibility)
336    {
337  158 assertEquals("Visibility not identical.",
338    aa_original[i].visible, aa_new[i].visible);
339    }
340  163 assertEquals("Threshold line not identical.",
341    aa_original[i].threshold, aa_new[i].threshold);
342    // graphGroup may differ, but pattern should be the same
343  163 Integer o_ggrp = Integer.valueOf(aa_original[i].graphGroup + 2);
344  163 Integer n_ggrp = Integer.valueOf(aa_new[i].graphGroup + 2);
345  163 BitSet orig_g = orig_groups.get(o_ggrp);
346  163 BitSet new_g = new_groups.get(n_ggrp);
347  163 if (orig_g == null)
348    {
349  43 orig_groups.put(o_ggrp, orig_g = new BitSet());
350    }
351  163 if (new_g == null)
352    {
353  43 new_groups.put(n_ggrp, new_g = new BitSet());
354    }
355  163 assertEquals("Graph Group pattern differs at annotation " + i,
356    orig_g, new_g);
357  163 orig_g.set(i);
358  163 new_g.set(i);
359    }
360    else
361    {
362  0 System.err.println("No matching annotation row for "
363    + aa_original[i].toString());
364    }
365    }
366    }
367  13 assertEquals(
368    "Generated and imported alignment have different annotation sets",
369    aa_original_size, aa_new_size);
370   
371    // check sequences, annotation and features
372  13 SequenceI[] seq_original = new SequenceI[al.getSequencesArray().length];
373  13 seq_original = al.getSequencesArray();
374  13 SequenceI[] seq_new = new SequenceI[al_input
375    .getSequencesArray().length];
376  13 seq_new = al_input.getSequencesArray();
377  13 List<SequenceFeature> sequenceFeatures_original;
378  13 List<SequenceFeature> sequenceFeatures_new;
379  13 AlignmentAnnotation annot_original, annot_new;
380    //
381  380 for (int i = 0; i < al.getSequencesArray().length; i++)
382    {
383  367 String name = seq_original[i].getName();
384  367 int start = seq_original[i].getStart();
385  367 int end = seq_original[i].getEnd();
386  367 System.out
387    .println("Check sequence: " + name + "/" + start + "-" + end);
388   
389    // search equal sequence
390  23928 for (int in = 0; in < al_input.getSequencesArray().length; in++)
391    {
392  23928 if (name.equals(seq_new[in].getName())
393    && start == seq_new[in].getStart()
394    && end == seq_new[in].getEnd())
395    {
396  367 String ss_original = seq_original[i].getSequenceAsString();
397  367 String ss_new = seq_new[in].getSequenceAsString();
398  367 assertEquals("The sequences " + name + "/" + start + "-" + end
399    + " are not equal", ss_original, ss_new);
400   
401  367 assertTrue(
402    "Sequence Features were not equivalent"
403  367 + (ignoreFeatures ? " ignoring." : ""),
404    ignoreFeatures
405    || (seq_original[i].getSequenceFeatures() == null
406    && seq_new[in]
407    .getSequenceFeatures() == null)
408    || (seq_original[i].getSequenceFeatures() != null
409    && seq_new[in]
410    .getSequenceFeatures() != null));
411    // compare sequence features
412  367 if (seq_original[i].getSequenceFeatures() != null
413    && seq_new[in].getSequenceFeatures() != null)
414    {
415  367 System.out.println("There are feature!!!");
416  367 sequenceFeatures_original = seq_original[i]
417    .getSequenceFeatures();
418  367 sequenceFeatures_new = seq_new[in].getSequenceFeatures();
419   
420  367 assertEquals("different number of features",
421    seq_original[i].getSequenceFeatures().size(),
422    seq_new[in].getSequenceFeatures().size());
423   
424  367 for (int feat = 0; feat < seq_original[i].getSequenceFeatures()
425    .size(); feat++)
426    {
427  0 assertEquals("Different features",
428    sequenceFeatures_original.get(feat),
429    sequenceFeatures_new.get(feat));
430    }
431    }
432    // compare alignment annotation
433  367 if (al.getSequenceAt(i).getAnnotation() != null
434    && al_input.getSequenceAt(in).getAnnotation() != null)
435    {
436  264 for (int j = 0; j < al.getSequenceAt(i)
437    .getAnnotation().length; j++)
438    {
439  153 if (al.getSequenceAt(i).getAnnotation()[j] != null && al_input
440    .getSequenceAt(in).getAnnotation()[j] != null)
441    {
442  153 annot_original = al.getSequenceAt(i).getAnnotation()[j];
443  153 annot_new = al_input.getSequenceAt(in).getAnnotation()[j];
444  153 assertEqualSecondaryStructure(
445    "Different annotation elements", annot_original,
446    annot_new, allowNullAnnotation);
447    }
448    }
449    }
450  256 else if (al.getSequenceAt(i).getAnnotation() == null
451    && al_input.getSequenceAt(in).getAnnotation() == null)
452    {
453  256 System.out.println("No annotations");
454    }
455  0 else if (al.getSequenceAt(i).getAnnotation() != null
456    && al_input.getSequenceAt(in).getAnnotation() == null)
457    {
458  0 fail("Annotations differed between sequences ("
459    + al.getSequenceAt(i).getName() + ") and ("
460    + al_input.getSequenceAt(i).getName() + ")");
461    }
462  367 break;
463    }
464    }
465    }
466    }
467   
468    /**
469    * compare two annotation rows, with special support for secondary structure
470    * comparison. With RNA, only the value and the secondaryStructure symbols are
471    * compared, displayCharacter and description are ignored. Annotations where
472    * Annotation.isWhitespace() is true are always considered equal.
473    *
474    * @param message
475    * - not actually used yet..
476    * @param annot_or
477    * - the original annotation
478    * @param annot_new
479    * - the one compared to the original annotation
480    * @param allowNullEquivalence
481    * when true, positions in alignment annotation that are null will be
482    * considered equal to non-null positions for which
483    * Annotation.isWhitespace() is true.
484    */
 
485  366 toggle private static void assertEqualSecondaryStructure(String message,
486    AlignmentAnnotation annot_or, AlignmentAnnotation annot_new,
487    boolean allowNullEqivalence)
488    {
489    // TODO: test to cover this assert behaves correctly for all allowed
490    // variations of secondary structure annotation row equivalence
491  366 if (annot_or.annotations.length != annot_new.annotations.length)
492    {
493  0 fail("Different lengths for annotation row elements: "
494    + annot_or.annotations.length + "!="
495    + annot_new.annotations.length);
496    }
497  366 boolean isRna = annot_or.isRNA();
498  366 assertTrue(
499  366 "Expected " + (isRna ? " valid RNA " : " no RNA ")
500    + " secondary structure in the row.",
501    isRna == annot_new.isRNA());
502  40796 for (int i = 0; i < annot_or.annotations.length; i++)
503    {
504  40458 Annotation an_or = annot_or.annotations[i],
505    an_new = annot_new.annotations[i];
506  40458 if (an_or != null && an_new != null)
507    {
508   
509  28788 if (isRna)
510    {
511  9141 if (an_or.secondaryStructure != an_new.secondaryStructure
512    || ((Float.isNaN(an_or.value) != Float
513    .isNaN(an_new.value))
514    || an_or.value != an_new.value))
515    {
516  0 fail("Different RNA secondary structure at column " + i
517    + " expected: [" + annot_or.annotations[i].toString()
518    + "] but got: [" + annot_new.annotations[i].toString()
519    + "]");
520    }
521    }
522    else
523    {
524    // not RNA secondary structure, so expect all elements to match...
525  19647 if ((an_or.isWhitespace() != an_new.isWhitespace())
526    || !an_or.displayCharacter.trim()
527    .equals(an_new.displayCharacter.trim())
528    || !("" + an_or.secondaryStructure).trim()
529    .equals(("" + an_new.secondaryStructure).trim())
530    || (an_or.description != an_new.description
531    && !((an_or.description == null
532    && an_new.description.trim()
533    .length() == 0)
534    || (an_new.description == null
535    && an_or.description.trim()
536    .length() == 0)
537    || an_or.description.trim().equals(
538    an_new.description.trim())))
539    || !((Float.isNaN(an_or.value)
540    && Float.isNaN(an_new.value))
541    || an_or.value == an_new.value))
542    {
543  12 fail("Annotation Element Mismatch\nElement " + i
544    + " in original: " + annot_or.annotations[i].toString()
545    + "\nElement " + i + " in new: "
546    + annot_new.annotations[i].toString());
547    }
548    }
549    }
550  11670 else if (annot_or.annotations[i] == null
551    && annot_new.annotations[i] == null)
552    {
553  11602 continue;
554    }
555    else
556    {
557  68 if (allowNullEqivalence)
558    {
559  65 if (an_or != null && an_or.isWhitespace())
560   
561    {
562  0 continue;
563    }
564  65 if (an_new != null && an_new.isWhitespace())
565    {
566  62 continue;
567    }
568    }
569    // need also to test for null in one, non-SS annotation in other...
570  6 fail("Annotation Element Mismatch\nElement " + i + " in original: "
571  6 + (an_or == null ? "is null" : an_or.toString())
572    + "\nElement " + i + " in new: "
573  6 + (an_new == null ? "is null" : an_new.toString()));
574    }
575    }
576    }
577   
578    /**
579    * @see assertEqualSecondaryStructure - test if two secondary structure
580    * annotations are not equal
581    * @param message
582    * @param an_orig
583    * @param an_new
584    * @param allowNullEquivalence
585    */
 
586  28 toggle public static void assertNotEqualSecondaryStructure(String message,
587    AlignmentAnnotation an_orig, AlignmentAnnotation an_new,
588    boolean allowNullEquivalence)
589    {
590  28 boolean thrown = false;
591  28 try
592    {
593  28 assertEqualSecondaryStructure("", an_orig, an_new,
594    allowNullEquivalence);
595    } catch (AssertionError af)
596    {
597  28 thrown = true;
598    }
599  28 if (!thrown)
600    {
601  0 fail("Expected difference for [" + an_orig + "] and [" + an_new
602    + "]");
603    }
604    }
605   
 
606  26 toggle private AlignmentAnnotation makeAnnot(Annotation ae)
607    {
608  26 return new AlignmentAnnotation("label", "description",
609    new Annotation[]
610    { ae });
611    }
612   
 
613  1 toggle @Test(groups = { "Functional" })
614    public void testAnnotationEquivalence()
615    {
616  1 AlignmentAnnotation one = makeAnnot(new Annotation("", "", ' ', 1));
617  1 AlignmentAnnotation anotherOne = makeAnnot(
618    new Annotation("", "", ' ', 1));
619  1 AlignmentAnnotation sheet = makeAnnot(new Annotation("", "", 'E', 0f));
620  1 AlignmentAnnotation anotherSheet = makeAnnot(
621    new Annotation("", "", 'E', 0f));
622  1 AlignmentAnnotation sheetWithLabel = makeAnnot(
623    new Annotation("1", "", 'E', 0f));
624  1 AlignmentAnnotation anotherSheetWithLabel = makeAnnot(
625    new Annotation("1", "", 'E', 0f));
626  1 AlignmentAnnotation rnaNoDC = makeAnnot(
627    new Annotation("", "", '<', 0f));
628  1 AlignmentAnnotation anotherRnaNoDC = makeAnnot(
629    new Annotation("", "", '<', 0f));
630  1 AlignmentAnnotation rnaWithDC = makeAnnot(
631    new Annotation("B", "", '<', 0f));
632  1 AlignmentAnnotation anotherRnaWithDC = makeAnnot(
633    new Annotation("B", "", '<', 0f));
634   
635    // check self equivalence
636  1 for (boolean allowNull : new boolean[] { true, false })
637    {
638  2 assertEqualSecondaryStructure("Should be equal", one, anotherOne,
639    allowNull);
640  2 assertEqualSecondaryStructure("Should be equal", sheet, anotherSheet,
641    allowNull);
642  2 assertEqualSecondaryStructure("Should be equal", sheetWithLabel,
643    anotherSheetWithLabel, allowNull);
644  2 assertEqualSecondaryStructure("Should be equal", rnaNoDC,
645    anotherRnaNoDC, allowNull);
646  2 assertEqualSecondaryStructure("Should be equal", rnaWithDC,
647    anotherRnaWithDC, allowNull);
648    // display character doesn't matter for RNA structure (for 2.10.2)
649  2 assertEqualSecondaryStructure("Should be equal", rnaWithDC, rnaNoDC,
650    allowNull);
651  2 assertEqualSecondaryStructure("Should be equal", rnaNoDC, rnaWithDC,
652    allowNull);
653    }
654   
655    // verify others are different
656  1 List<AlignmentAnnotation> aaSet = Arrays.asList(one, sheet,
657    sheetWithLabel, rnaWithDC);
658  5 for (int p = 0; p < aaSet.size(); p++)
659    {
660  20 for (int q = 0; q < aaSet.size(); q++)
661    {
662  16 if (p != q)
663    {
664  12 assertNotEqualSecondaryStructure("Should be different",
665    aaSet.get(p), aaSet.get(q), false);
666    }
667    else
668    {
669  4 assertEqualSecondaryStructure("Should be same", aaSet.get(p),
670    aaSet.get(q), false);
671  4 assertEqualSecondaryStructure("Should be same", aaSet.get(p),
672    aaSet.get(q), true);
673  4 assertNotEqualSecondaryStructure(
674    "Should be different to empty anot", aaSet.get(p),
675    makeAnnot(Annotation.EMPTY_ANNOTATION), false);
676  4 assertNotEqualSecondaryStructure(
677    "Should be different to empty annot",
678    makeAnnot(Annotation.EMPTY_ANNOTATION), aaSet.get(q),
679    true);
680  4 assertNotEqualSecondaryStructure("Should be different to null",
681    aaSet.get(p), makeAnnot(null), false);
682  4 assertNotEqualSecondaryStructure("Should be different to null",
683    makeAnnot(null), aaSet.get(q), true);
684    }
685    }
686    }
687   
688    // test null
689   
690    }
691   
692    String aliFile = ">Dm\nAAACCCUUUUACACACGGGAAAGGG";
693   
694    String annFile = "JALVIEW_ANNOTATION\n# Created: Thu May 04 11:16:52 BST 2017\n\n"
695    + "SEQUENCE_REF\tDm\nNO_GRAPH\tsecondary structure\tsecondary structure\t"
696    + "(|(|(|(|, .|, .|, .|, .|)|)|)|)|\t0.0\nROWPROPERTIES\t"
697    + "secondary structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false";
698   
699    String annFileCurlyWuss = "JALVIEW_ANNOTATION\n# Created: Thu May 04 11:16:52 BST 2017\n\n"
700    + "SEQUENCE_REF\tDm\nNO_GRAPH\tsecondary structure\tsecondary structure\t"
701    + "(|(|(|(||{|{||{|{||)|)|)|)||}|}|}|}|\t0.0\nROWPROPERTIES\t"
702    + "secondary structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false";
703   
704    String annFileFullWuss = "JALVIEW_ANNOTATION\n# Created: Thu May 04 11:16:52 BST 2017\n\n"
705    + "SEQUENCE_REF\tDm\nNO_GRAPH\tsecondary structure\tsecondary structure\t"
706    + "(|(|(|(||{|{||[|[||)|)|)|)||}|}|]|]|\t0.0\nROWPROPERTIES\t"
707    + "secondary structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false";
708   
 
709  1 toggle @Test(groups = { "Functional" })
710    public void secondaryStructureForRNASequence() throws Exception
711    {
712  1 roundTripSSForRNA(aliFile, annFile);
713    }
714   
 
715  1 toggle @Test(groups = { "Functional" })
716    public void curlyWUSSsecondaryStructureForRNASequence() throws Exception
717    {
718  1 roundTripSSForRNA(aliFile, annFileCurlyWuss);
719    }
720   
 
721  1 toggle @Test(groups = { "Functional" })
722    public void fullWUSSsecondaryStructureForRNASequence() throws Exception
723    {
724  1 roundTripSSForRNA(aliFile, annFileFullWuss);
725    }
726   
 
727  1 toggle @Test(groups = { "Functional" })
728    public void detectWussBrackets()
729    {
730  1 for (char ch : new char[] { '{', '}', '[', ']', '(', ')', '<', '>' })
731    {
732  8 Assert.assertTrue(StockholmFile.RNASS_BRACKETS.indexOf(ch) >= 0,
733    "Didn't recognise '" + ch + "' as a WUSS bracket");
734    }
735  1 for (char ch : new char[] { '@', '!', '*', ' ', '-', '.' })
736    {
737  6 Assert.assertFalse(StockholmFile.RNASS_BRACKETS.indexOf(ch) >= 0,
738    "Shouldn't recognise '" + ch + "' as a WUSS bracket");
739    }
740    }
741   
 
742  3 toggle private static void roundTripSSForRNA(String aliFile, String annFile)
743    throws Exception
744    {
745  3 AlignmentI al = new AppletFormatAdapter().readFile(aliFile,
746    DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
747  3 AnnotationFile aaf = new AnnotationFile();
748  3 aaf.readAnnotationFile(al, annFile, DataSourceType.PASTE);
749  3 al.getAlignmentAnnotation()[0].visible = true;
750   
751    // TODO: create a better 'save as <format>' pattern
752  3 StockholmFile sf = new StockholmFile(al);
753   
754  3 String stockholmFile = sf.print(al.getSequencesArray(), true);
755   
756  3 AlignmentI newAl = new AppletFormatAdapter().readFile(stockholmFile,
757    DataSourceType.PASTE, jalview.io.FileFormat.Stockholm);
758    // AlignmentUtils.showOrHideSequenceAnnotations(newAl.getViewport()
759    // .getAlignment(), Arrays.asList("Secondary Structure"), newAl
760    // .getViewport().getAlignment().getSequences(), true, true);
761  3 testAlignmentEquivalence(al, newAl, true, true, true);
762   
763    }
764   
765    // this is the single sequence alignment and the SS annotations equivalent to
766    // the ones in file RnaSSTestFile
767    String aliFileRnaSS = ">Test.sequence/1-14\n" + "GUACAAAAAAAAAA";
768   
769    String annFileRnaSSAlphaChars = "JALVIEW_ANNOTATION\n"
770    + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
771    + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|(,(|E,E|H,H|B,B|h,h|e,e|b,b|(,(|E,E|),)|e,e|),)|>,>|\t2.0\n"
772    + "\n"
773    + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
774    + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
775   
776    String wrongAnnFileRnaSSAlphaChars = "JALVIEW_ANNOTATION\n"
777    + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
778    + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|(,(|H,H|E,E|B,B|h,h|e,e|b,b|(,(|E,E|),)|e,e|),)|>,>|\t2.0\n"
779    + "\n"
780    + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
781    + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
782   
 
783  1 toggle @Test(groups = { "Functional" })
784    public void stockholmFileRnaSSAlphaChars() throws Exception
785    {
786  1 AppletFormatAdapter af = new AppletFormatAdapter();
787  1 AlignmentI al = af.readFile(RnaSSTestFile, DataSourceType.FILE,
788    jalview.io.FileFormat.Stockholm);
789  1 Iterable<AlignmentAnnotation> aai = al.findAnnotations(null, null,
790    "Secondary Structure");
791  1 AlignmentAnnotation aa = aai.iterator().next();
792  1 Assert.assertTrue(aa.isRNA(),
793    "'" + RnaSSTestFile + "' not recognised as RNA SS");
794  1 Assert.assertTrue(aa.isValidStruc(),
795    "'" + RnaSSTestFile + "' not recognised as valid structure");
796  1 Annotation[] as = aa.annotations;
797  1 char[] As = new char[as.length];
798  15 for (int i = 0; i < as.length; i++)
799    {
800  14 As[i] = as[i].secondaryStructure;
801    }
802  1 char[] shouldBe = { '<', '(', 'E', 'H', 'B', 'h', 'e', 'b', '(', 'E',
803    ')', 'e', ')', '>' };
804  1 Assert.assertTrue(Arrays.equals(As, shouldBe), "Annotation is "
805    + new String(As) + " but should be " + new String(shouldBe));
806   
807    // this should result in the same RNA SS Annotations
808  1 AlignmentI newAl = new AppletFormatAdapter().readFile(aliFileRnaSS,
809    DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
810  1 AnnotationFile aaf = new AnnotationFile();
811  1 aaf.readAnnotationFile(newAl, annFileRnaSSAlphaChars,
812    DataSourceType.PASTE);
813   
814  1 Assert.assertTrue(
815    testRnaSSAnnotationsEquivalent(al.getAlignmentAnnotation()[0],
816    newAl.getAlignmentAnnotation()[0]),
817    "RNA SS Annotations SHOULD be pair-wise equivalent (but apparently aren't): \n"
818    + "RNA SS A 1:" + al.getAlignmentAnnotation()[0] + "\n"
819    + "RNA SS A 2:" + newAl.getAlignmentAnnotation()[0]);
820   
821    // this should NOT result in the same RNA SS Annotations
822  1 newAl = new AppletFormatAdapter().readFile(aliFileRnaSS,
823    DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
824  1 aaf = new AnnotationFile();
825  1 aaf.readAnnotationFile(newAl, wrongAnnFileRnaSSAlphaChars,
826    DataSourceType.PASTE);
827   
828  1 boolean mismatch = testRnaSSAnnotationsEquivalent(
829    al.getAlignmentAnnotation()[0],
830    newAl.getAlignmentAnnotation()[0]);
831  1 Assert.assertFalse(mismatch,
832    "RNA SS Annotations SHOULD NOT be pair-wise equivalent (but apparently are): \n"
833    + "RNA SS A 1:" + al.getAlignmentAnnotation()[0] + "\n"
834    + "RNA SS A 2:" + newAl.getAlignmentAnnotation()[0]);
835    }
836   
 
837  4 toggle private static boolean testRnaSSAnnotationsEquivalent(
838    AlignmentAnnotation a1, AlignmentAnnotation a2)
839    {
840  4 return a1.rnaSecondaryStructureEquivalent(a2);
841    }
842   
843    String annFileRnaSSWithSpaceChars = "JALVIEW_ANNOTATION\n"
844    + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
845    + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|.,.|H,H| , |B,B|h,h| , |b,b|(,(|E,E|.,.|e,e|),)|>,>|\t2.0\n"
846    + "\n"
847    + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
848    + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
849   
850    String annFileRnaSSWithoutSpaceChars = "JALVIEW_ANNOTATION\n"
851    + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
852    + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|.,.|H,H|.,.|B,B|h,h|.,.|b,b|(,(|E,E|.,.|e,e|),)|>,>|\t2.0\n"
853    + "\n"
854    + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
855    + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
856   
857    String wrongAnnFileRnaSSWithoutSpaceChars = "JALVIEW_ANNOTATION\n"
858    + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
859    + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|.,.|H,H|Z,Z|B,B|h,h|z,z|b,b|(,(|E,E|.,.|e,e|),)|>,>|\t2.0\n"
860    + "\n"
861    + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
862    + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
863   
 
864  1 toggle @Test(groups = { "Functional" })
865    public void stockholmFileRnaSSSpaceChars() throws Exception
866    {
867  1 AlignmentI alWithSpaces = new AppletFormatAdapter().readFile(
868    aliFileRnaSS, DataSourceType.PASTE,
869    jalview.io.FileFormat.Fasta);
870  1 AnnotationFile afWithSpaces = new AnnotationFile();
871  1 afWithSpaces.readAnnotationFile(alWithSpaces,
872    annFileRnaSSWithSpaceChars, DataSourceType.PASTE);
873   
874  1 Iterable<AlignmentAnnotation> aaiWithSpaces = alWithSpaces
875    .findAnnotations(null, null, "Secondary Structure");
876  1 AlignmentAnnotation aaWithSpaces = aaiWithSpaces.iterator().next();
877  1 Assert.assertTrue(aaWithSpaces.isRNA(),
878    "'" + aaWithSpaces + "' not recognised as RNA SS");
879  1 Assert.assertTrue(aaWithSpaces.isValidStruc(),
880    "'" + aaWithSpaces + "' not recognised as valid structure");
881  1 Annotation[] annWithSpaces = aaWithSpaces.annotations;
882  1 char[] As = new char[annWithSpaces.length];
883  15 for (int i = 0; i < annWithSpaces.length; i++)
884    {
885  14 As[i] = annWithSpaces[i].secondaryStructure;
886    }
887    // check all spaces and dots are spaces in the internal representation
888  1 char[] shouldBe = { '<', ' ', 'H', ' ', 'B', 'h', ' ', 'b', '(', 'E',
889    ' ', 'e', ')', '>' };
890  1 Assert.assertTrue(Arrays.equals(As, shouldBe), "Annotation is "
891    + new String(As) + " but should be " + new String(shouldBe));
892   
893    // this should result in the same RNA SS Annotations
894  1 AlignmentI alWithoutSpaces = new AppletFormatAdapter().readFile(
895    aliFileRnaSS, DataSourceType.PASTE,
896    jalview.io.FileFormat.Fasta);
897  1 AnnotationFile afWithoutSpaces = new AnnotationFile();
898  1 afWithoutSpaces.readAnnotationFile(alWithoutSpaces,
899    annFileRnaSSWithoutSpaceChars, DataSourceType.PASTE);
900   
901  1 Assert.assertTrue(
902    testRnaSSAnnotationsEquivalent(
903    alWithSpaces.getAlignmentAnnotation()[0],
904    alWithoutSpaces.getAlignmentAnnotation()[0]),
905    "RNA SS Annotations SHOULD be pair-wise equivalent (but apparently aren't): \n"
906    + "RNA SS A 1:"
907    + alWithSpaces.getAlignmentAnnotation()[0]
908    .getRnaSecondaryStructure()
909    + "\n" + "RNA SS A 2:"
910    + alWithoutSpaces.getAlignmentAnnotation()[0]
911    .getRnaSecondaryStructure());
912   
913    // this should NOT result in the same RNA SS Annotations
914  1 AlignmentI wrongAlWithoutSpaces = new AppletFormatAdapter().readFile(
915    aliFileRnaSS, DataSourceType.PASTE,
916    jalview.io.FileFormat.Fasta);
917  1 AnnotationFile wrongAfWithoutSpaces = new AnnotationFile();
918  1 wrongAfWithoutSpaces.readAnnotationFile(wrongAlWithoutSpaces,
919    wrongAnnFileRnaSSWithoutSpaceChars, DataSourceType.PASTE);
920   
921  1 Assert.assertFalse(
922    testRnaSSAnnotationsEquivalent(
923    alWithSpaces.getAlignmentAnnotation()[0],
924    wrongAlWithoutSpaces.getAlignmentAnnotation()[0]),
925    "RNA SS Annotations SHOULD NOT be pair-wise equivalent (but apparently are): \n"
926    + "RNA SS A 1:"
927    + alWithSpaces.getAlignmentAnnotation()[0]
928    .getRnaSecondaryStructure()
929    + "\n" + "RNA SS A 2:"
930    + wrongAlWithoutSpaces.getAlignmentAnnotation()[0]
931    .getRnaSecondaryStructure());
932   
933    // check no spaces in the output
934    // TODO: create a better 'save as <format>' pattern
935  1 alWithSpaces.getAlignmentAnnotation()[0].visible = true;
936  1 StockholmFile sf = new StockholmFile(alWithSpaces);
937   
938  1 String stockholmFile = sf.print(alWithSpaces.getSequencesArray(), true);
939  1 Pattern noSpacesInRnaSSAnnotation = Pattern
940    .compile("\\n#=GC SS_cons\\s+\\S{14}\\n");
941  1 Matcher m = noSpacesInRnaSSAnnotation.matcher(stockholmFile);
942  1 boolean matches = m.find();
943  1 Assert.assertTrue(matches,
944    "StockholmFile output does not contain expected output (may contain spaces):\n"
945    + stockholmFile);
946   
947    }
948    }