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Fixing another test
1 parent bdb7c27 commit 84bb126

1 file changed

Lines changed: 24 additions & 11 deletions

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‎biojava-structure/src/test/java/org/biojava/nbio/structure/PdbFileFormat30Test.java‎

Lines changed: 24 additions & 11 deletions
Original file line numberDiff line numberDiff line change
@@ -59,9 +59,11 @@ public void testRead30File() throws IOException{
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assertEquals("structure does not contain the right number of nucleotides ", shouldNr ,nrNuc);
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List<EntityInfo> compounds= s.getEntityInfos();
62-
// from Biojava 4.2 on we are creating compounds whenever an entity is found to be without an assigned compound in the file
62+
// from Biojava 5.0 on we are creating entities whenever an entity is found to be without an assigned compound
63+
// in the file, for polymer entities, nonpolymer entities and water entities.
64+
// For this file: 1 dna polymeric entity, 1 MG nonpolymeric entity, 1 water
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// see issues https://github.com/biojava/biojava/issues/305 and https://github.com/biojava/biojava/pull/394
64-
assertEquals(2, compounds.size());
66+
assertEquals(3, compounds.size());
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EntityInfo mol = compounds.get(0);
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assertTrue(mol.getDescription().startsWith("DNA"));
6769

@@ -84,9 +86,11 @@ public void testRead23File() throws IOException{
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assertEquals("structure does not contain the right number of nucleotides ", shouldNr , nrNuc);
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List<EntityInfo> compounds= s.getEntityInfos();
87-
// from Biojava 4.2 on we are creating compounds whenever an entity is found to be without an assigned compound in the file
89+
// from Biojava 5.0 on we are creating entities whenever an entity is found to be without an assigned compound
90+
// in the file, for polymer entities, nonpolymer entities and water entities.
91+
// For this entry: we have 1 dna polymeric entity, 1 FLO nonpoly entity, 1 MO6 nonpoly entity, 1 water entity
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// see issues https://github.com/biojava/biojava/issues/305 and https://github.com/biojava/biojava/pull/394
89-
assertEquals(2, compounds.size());
93+
assertEquals(4, compounds.size());
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EntityInfo mol = compounds.get(0);
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assertTrue(mol.getDescription().startsWith("DNA"));
@@ -145,16 +149,25 @@ public void testIsLegacyFormat_pdb_COMPND_handler() throws IOException{
145149
Structure s = getStructure("/3mk3.pdb");
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List<EntityInfo> compounds= s.getEntityInfos();
148-
assertTrue(compounds.size() == 1);
152+
// we are doing heuristics to find missing compounds not specified in header
153+
// thus here we have the one specified in header plus a SO4 nonpolymer entity
154+
assertEquals(2, compounds.size());
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EntityInfo mol = compounds.get(0);
150156
assertTrue(mol.getDescription().equals("6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE"));
151157
assertEquals(60, mol.getChainIds().size());
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assertEquals(60, mol.getChains().size());
153-
assertTrue(mol.getChainIds().contains("S"));
154-
assertTrue(mol.getChainIds().contains("T"));
155-
assertTrue(mol.getChainIds().contains("U"));
156-
assertTrue(mol.getChainIds().contains("g"));
157-
assertTrue(mol.getChainIds().contains("h"));
158-
assertTrue(mol.getChainIds().contains("i"));
159+
assertTrue(isChainNameInEntity(mol,"S"));
160+
assertTrue(isChainNameInEntity(mol,"T"));
161+
assertTrue(isChainNameInEntity(mol,"U"));
162+
assertTrue(isChainNameInEntity(mol,"g"));
163+
assertTrue(isChainNameInEntity(mol,"h"));
164+
assertTrue(isChainNameInEntity(mol,"i"));
165+
}
166+
167+
private boolean isChainNameInEntity(EntityInfo e, String chainName) {
168+
for (Chain c:e.getChains()) {
169+
if (c.getName().equals(chainName)) return true;
170+
}
171+
return false;
159172
}
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}

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