Removing DSSPParser.fetch after RCSB deprecation

josemduarte · josemduarte · commit a6e15ce75dad · 2020-11-02T16:35:47.000-08:00
diff --git a/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java b/biojava-structure/src/main/java/demo/DemoLoadSecStruc.java
@@ -27,7 +27,6 @@
 import org.biojava.nbio.structure.StructureException;
 import org.biojava.nbio.structure.align.util.AtomCache;
 import org.biojava.nbio.structure.io.FileParsingParameters;
-import org.biojava.nbio.structure.secstruc.DSSPParser;
 import org.biojava.nbio.structure.secstruc.SecStrucCalc;
 import org.biojava.nbio.structure.secstruc.SecStrucInfo;
 import org.biojava.nbio.structure.secstruc.SecStrucTools;
@@ -64,13 +63,6 @@ public static void main(String[] args) throws IOException,
 		System.out.println("Author's assignment: ");
 		printSecStruc(s);
 
-		// If the more detailed DSSP prediction is required call this
-		DSSPParser.fetch(pdbID, s, true);
-
-		// Print the assignment residue by residue
-		System.out.println("DSSP assignment: ");
-		printSecStruc(s);
-
 		// finally use BioJava's built in DSSP-like secondary structure assigner
 		SecStrucCalc secStrucCalc = new SecStrucCalc();
 
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/io/mmtf/MmtfUtils.java
@@ -164,13 +164,7 @@ public static void calculateDsspSecondaryStructure(Structure bioJavaStruct) {
 			ssp.calculate(bioJavaStruct, true);
 		}
 		catch(StructureException e) {
-			LOGGER.warn("Could not calculate secondary structure (error {}). Will try to get a DSSP file from the RCSB web server instead.", e.getMessage());
-
-			try {
-				DSSPParser.fetch(bioJavaStruct.getPDBCode(), bioJavaStruct, true); //download from PDB the DSSP result
-			} catch(Exception bige){
-				LOGGER.warn("Could not get a DSSP file from RCSB web server. There will not be secondary structure assignment for this structure ({}). Error: {}", bioJavaStruct.getPDBCode(), bige.getMessage());
-			}
+			LOGGER.warn("Could not calculate secondary structure (error {}). Secondary structure annotation will be missing.", e.getMessage());
 		}
 	}
 
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/secstruc/DSSPParser.java
@@ -28,10 +28,8 @@
 import java.io.InputStreamReader;
 import java.io.Reader;
 import java.io.StringReader;
-import java.net.URL;
 import java.util.ArrayList;
 import java.util.List;
-import java.util.zip.GZIPInputStream;
 
 import org.biojava.nbio.structure.Group;
 import org.biojava.nbio.structure.ResidueNumber;
@@ -99,32 +97,6 @@ public static List<SecStrucState> parseFile(String dsspPath,
 		return generalParse(reader, structure, assign);
 	}
 
-	/**
-	 * Fetch and parse the DSSP file of the specified pdb code
-	 * from the PDB web server and return the secondary structure
-	 * annotation as a List of {@link SecStrucState} objects.
-	 *
-	 * @param pdb path to the DSSP file to parse
-	 * @param structure Structure object associated to the dssp
-	 * @param assign assigns the SS to the structure if true
-	 * @return a List of SS annotation objects
-	 * @throws StructureException
-	 * @throws IOException
-	 */
-	public static List<SecStrucState> fetch(String pdb,
-			Structure structure, boolean assign)
-					throws IOException, StructureException {
-
-		URL url = new URL("http://files.rcsb.org/dssp/" +
-				pdb.toLowerCase().substring(1, 3) + "/" +
-				pdb.toLowerCase() + "/" +
-				pdb.toLowerCase() + ".dssp.gz");
-		InputStream in = new GZIPInputStream(url.openStream());
-		Reader read = new InputStreamReader(in);
-		BufferedReader reader = new BufferedReader(read);
-		return generalParse(reader, structure, assign);
-	}
-
 	/**
 	 * Parse a DSSP format String and return the secondary structure
 	 * annotation as a List of {@link SecStrucState} objects.
diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/secstruc/TestDSSPParser.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/secstruc/TestDSSPParser.java
@@ -56,10 +56,7 @@ public void testDSSPParser() throws IOException, StructureException {
 			List<SecStrucState> file = DSSPParser.parseInputStream(new GZIPInputStream(
 					this.getClass().getResourceAsStream("/org/biojava/nbio/structure/secstruc/"+name+".dssp.gz")), s, false);
 
-			// Test fetching from PDB
-			List<SecStrucState> pdb = DSSPParser.fetch(name, s, false);
-
-			// Test predicting, writting and parsing back
+			// Test predicting, writing and parsing back
 			SecStrucCalc sec = new SecStrucCalc();
 			List<SecStrucState> pred = sec.calculate(s, false);
 
@@ -68,13 +65,10 @@ public void testDSSPParser() throws IOException, StructureException {
 
 			assertTrue(
 					"SS assignment lengths do not match",
-					file.size() == pdb.size()
-							&& pred.size() == parseBack.size()
+					pred.size() == parseBack.size()
 							&& pred.size() == file.size());
 
 			for (int i = 0; i < file.size(); i++) {
-				assertEquals("SS assignment position " + (i + 1)
-						+ " does not match", file.get(i), pdb.get(i));
 				assertEquals("SS assignment position " + (i + 1)
 						+ " does not match", pred.get(i), parseBack.get(i));
 				assertEquals("SS assignment position " + (i + 1)

Original file line number	Diff line number	Diff line change
`@@ -164,13 +164,7 @@ public static void calculateDsspSecondaryStructure(Structure bioJavaStruct) {`
`164`	`164`	`ssp.calculate(bioJavaStruct, true);`
`165`	`165`	`}`
`166`	`166`	`catch(StructureException e) {`
`167`		`- LOGGER.warn("Could not calculate secondary structure (error {}). Will try to get a DSSP file from the RCSB web server instead.", e.getMessage());`
`168`		`-`
`169`		`- try {`
`170`		`- DSSPParser.fetch(bioJavaStruct.getPDBCode(), bioJavaStruct, true); //download from PDB the DSSP result`
`171`		`- } catch(Exception bige){`
`172`		`- LOGGER.warn("Could not get a DSSP file from RCSB web server. There will not be secondary structure assignment for this structure ({}). Error: {}", bioJavaStruct.getPDBCode(), bige.getMessage());`
`173`		`- }`
	`167`	`+ LOGGER.warn("Could not calculate secondary structure (error {}). Secondary structure annotation will be missing.", e.getMessage());`
`174`	`168`	`}`
`175`	`169`	`}`
`176`	`170`