Adding Structure.toMMCIF, biojava#188

josemduarte · josemduarte · commit 986614355fcb · 2015-06-09T19:45:57.000+02:00
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/Structure.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/Structure.java
@@ -486,13 +486,19 @@ public Chain getChainByPDB(String chainId, int modelnr)
 
 
     /** 
-     * Create a String that contains the contents of a PDB file .
+     * Create a String that contains this Structure's contents in PDB file format.
      *
      * @return a String that looks like a PDB file
      * @see FileConvert
      */
     public String toPDB();
 
+    /**
+     * Create a String that contains this Structure's contents in MMCIF file format.
+     * @return
+     */
+    public String toMMCIF();
+    
     /** 
      * Set the Compounds
      *
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/StructureImpl.java
@@ -599,16 +599,17 @@ public Chain getChainByPDB(String chainId)
 	}
 
 
-	/** create a String that contains the contents of a PDB file.
-	 *
-	 * @return a String that represents the structure as a PDB file.
-	 */
 	@Override
 	public String toPDB() {
 		FileConvert f = new FileConvert(this) ;
 		return f.toPDB();
 	}
 
+	@Override
+	public String toMMCIF() {
+		FileConvert f = new FileConvert(this);
+		return f.toMMCIF();
+	}
 
 	@Override
 	public boolean hasChain(String chainId) {
diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestMMCIFWriting.java
@@ -37,10 +37,8 @@ public void test1SMT() throws IOException, StructureException {
 		File outputFile = File.createTempFile("biojava_testing_", ".cif");
 		
 		
-		FileConvert fc = new FileConvert(originalStruct);
-		
 		FileWriter fw = new FileWriter(outputFile);
-		fw.write(fc.toMMCIF());
+		fw.write(originalStruct.toMMCIF());
 		fw.close();
 		
 		
