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Make tests independent of default ChemCompProvider
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biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/StructureToolsTest.java

+20-3
Original file line numberDiff line numberDiff line change
@@ -28,6 +28,9 @@
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import org.biojava.nbio.structure.align.util.AtomCache;
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import org.biojava.nbio.structure.io.FileParsingParameters;
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import org.biojava.nbio.structure.io.PDBFileParser;
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import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory;
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import org.biojava.nbio.structure.io.mmcif.ChemCompProvider;
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import org.biojava.nbio.structure.io.mmcif.DownloadChemCompProvider;
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import java.io.IOException;
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import java.io.InputStream;
@@ -89,11 +92,16 @@ public void testGetCAAtoms(){
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}
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public void testGetAtomsConsistency() throws IOException, StructureException{
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//Save the existing ChemCompProvider
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ChemCompProvider provider = ChemCompGroupFactory.getChemCompProvider();
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ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider());
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AtomCache cache = new AtomCache();
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FileParsingParameters params = new FileParsingParameters();
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params.setLoadChemCompInfo(true);
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cache.setFileParsingParams(params);
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Structure hivA = cache.getStructure("1hiv.A");
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Atom[] caSa = StructureTools.getRepresentativeAtomArray(hivA);
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Atom[] caCa = StructureTools.getRepresentativeAtomArray(hivA.getChain(0));
@@ -109,6 +117,8 @@ public void testGetAtomsConsistency() throws IOException, StructureException{
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assertEquals("did not find the same number of Atoms in both chains...",
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caSa.length,caCb.length);
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assertEquals(caSa.length, 99);
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ChemCompGroupFactory.setChemCompProvider(provider);
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}
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public void testGetNrAtoms(){
@@ -426,19 +436,24 @@ public void testGroupsWithinShell() {
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}
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public void testCAmmCIF() throws StructureException {
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//Save the existing ChemCompProvider
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ChemCompProvider provider = ChemCompGroupFactory.getChemCompProvider();
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ChemCompGroupFactory.setChemCompProvider(new DownloadChemCompProvider());
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//mmCIF files left justify their atom names (eg "CA "), so can have different behavior
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AtomCache pdbCache = new AtomCache();
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pdbCache.setUseMmCif(false);
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FileParsingParameters params = new FileParsingParameters();
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params.setLoadChemCompInfo(true);
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pdbCache.setFileParsingParams(params);
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AtomCache mmcifCache = new AtomCache();
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mmcifCache.setUseMmCif(true);
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FileParsingParameters params2 = new FileParsingParameters();
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params2.setLoadChemCompInfo(true);
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mmcifCache.setFileParsingParams(params2);
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Structure pdb=null, mmcif=null;
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@@ -455,6 +470,8 @@ public void testCAmmCIF() throws StructureException {
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assertEquals("PDB has wrong length",409,pdbCA.length);
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assertEquals("PDB has wrong length",409,mmcifCA.length);
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ChemCompGroupFactory.setChemCompProvider(provider);
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}
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}

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