|
| 1 | +package org.biojava.nbio.structure.io.mmtf; |
| 2 | + |
| 3 | +import org.biojava.nbio.structure.Structure; |
| 4 | +import org.biojava.nbio.structure.StructureIO; |
| 5 | +import org.biojava.nbio.structure.io.PDBFileParser; |
| 6 | +import org.biojava.nbio.structure.io.mmcif.AllChemCompProvider; |
| 7 | +import org.biojava.nbio.structure.io.mmcif.ChemCompGroupFactory; |
| 8 | +import org.biojava.nbio.structure.io.mmcif.ChemCompProvider; |
| 9 | +import org.junit.Test; |
| 10 | +import org.rcsb.mmtf.dataholders.MmtfStructure; |
| 11 | +import org.rcsb.mmtf.decoder.ReaderUtils; |
| 12 | + |
| 13 | +import java.io.FileInputStream; |
| 14 | +import java.io.IOException; |
| 15 | +import java.io.InputStream; |
| 16 | +import java.nio.file.Files; |
| 17 | +import java.nio.file.Path; |
| 18 | +import java.nio.file.Paths; |
| 19 | + |
| 20 | +import static org.junit.Assert.assertEquals; |
| 21 | +import static org.junit.Assert.assertTrue; |
| 22 | + |
| 23 | +/** |
| 24 | + * Created by andreas on 1/9/17. |
| 25 | + */ |
| 26 | +public class TestMmtfPerformance { |
| 27 | + |
| 28 | +// @Test |
| 29 | +// public void test3J3Q() throws IOException{ |
| 30 | +// |
| 31 | +//// AllChemCompProvider cc = new AllChemCompProvider(); |
| 32 | +//// ChemCompGroupFactory.setChemCompProvider(cc); |
| 33 | +// |
| 34 | +// long timeS = System.currentTimeMillis(); |
| 35 | +// ClassLoader classLoader = getClass().getClassLoader(); |
| 36 | +// Structure structure = MmtfActions.readFromFile((Paths.get(classLoader.getResource("org/biojava/nbio/structure/io/mmtf/3J3Q.mmtf").getPath()))); |
| 37 | +// assertEquals(structure.getPDBCode(),"3J3Q"); |
| 38 | +// //assertEquals(structure.getChains().size(),6); |
| 39 | +// long timeE = System.currentTimeMillis(); |
| 40 | +// |
| 41 | +// System.out.println("time to load from local file: " + (timeE - timeS) + " ms."); |
| 42 | +// |
| 43 | +// } |
| 44 | + |
| 45 | + @Test |
| 46 | + public void test4CUP() throws IOException{ |
| 47 | + |
| 48 | + long timeS = System.currentTimeMillis(); |
| 49 | + |
| 50 | + ClassLoader classLoader = getClass().getClassLoader(); |
| 51 | + Structure structure = MmtfActions.readFromFile((Paths.get(classLoader.getResource("org/biojava/nbio/structure/io/mmtf/4CUP.mmtf").getPath()))); |
| 52 | + |
| 53 | + assertEquals(structure.getPDBCode(),"4CUP"); |
| 54 | + assertEquals(structure.getChains().size(),6); |
| 55 | + |
| 56 | + long timeE = System.currentTimeMillis(); |
| 57 | + |
| 58 | + Path path = Paths.get(classLoader.getResource("org/biojava/nbio/structure/io/4cup.pdb").getPath()); |
| 59 | + |
| 60 | + InputStream is = Files.newInputStream(path); |
| 61 | + |
| 62 | + PDBFileParser parser = new PDBFileParser(); |
| 63 | + |
| 64 | + Structure s = parser.parsePDBFile(is); |
| 65 | + |
| 66 | + long timeF = System.currentTimeMillis(); |
| 67 | + |
| 68 | + //todo: add mmcif for comparison |
| 69 | + |
| 70 | +// System.out.println("time to parse mmtf:" + (timeE-timeS)); |
| 71 | +// System.out.println("time to parse PDB: " + (timeF-timeE)); |
| 72 | + |
| 73 | + assertTrue( "It should not be the case, but it is faster to parse a PDB file ("+(timeF -timeE)+" ms.) than MMTF ("+( timeE-timeS)+" ms.)!",( timeF -timeE) > ( timeE-timeS)); |
| 74 | + |
| 75 | + } |
| 76 | +} |
0 commit comments