1.1 --- a/molwind-chemical/src/main/java/org/molwind/chemical/io/SDFileIterator.java Thu Oct 29 11:19:09 2009 +0100
1.2 +++ b/molwind-chemical/src/main/java/org/molwind/chemical/io/SDFileIterator.java Thu Oct 29 11:42:56 2009 +0100
1.3 @@ -138,10 +138,10 @@
1.4
1.5
1.6 /**
1.7 - *
1.8 - *
1.9 - *
1.10 - *
1.11 + * Sets the file reader
1.12 + *
1.13 + * @param
1.14 + * the file to be read
1.15 */
1.16 public void setFileReader(File f)
1.17 throws IOException{
1.18 @@ -149,15 +149,40 @@
1.19 sdfReader = new IteratingMDLReader(fileReader,DefaultChemObjectBuilder.getInstance());
1.20
1.21 }
1.22 +
1.23 + /**
1.24 + * Sets the file reader
1.25 + *
1.26 + * @param
1.27 + * the file to be read
1.28 + */
1.29 + public void setFileReader(String name){
1.30 + File source=null;
1.31 + for(File f:files){
1.32 +
1.33 + if(f.getName().contains("asinex-molwind-demo.sdf")){
1.34 +
1.35 + source=f;
1.36 + break;
1.37 + }
1.38 + }
1.39 + try{
1.40 + FileReader fileReader = new FileReader(source);
1.41 + sdfReader = new IteratingMDLReader(fileReader,DefaultChemObjectBuilder.getInstance());
1.42 + }catch(java.io.FileNotFoundException fne){
1.43 + fne.printStackTrace();
1.44 + }
1.45 +
1.46 + }
1.47
1.48 /**
1.49 + * Returns the Graph for the given file
1.50 *
1.51 - *
1.52 - *
1.53 - *
1.54 + * @return
1.55 + * an object from DefaultEntityGraph
1.56 *
1.57 */
1.58 - public DefaultEntityGraph getGraph2()
1.59 + public DefaultEntityGraph getDefaultEntityGraph()
1.60 throws IOException{
1.61
1.62 return (DefaultEntityGraph) getGraph();
2.1 Binary file molwind-chemical/target/classes/org/molwind/chemical/io/SDFileIterator.class has changed
3.1 --- a/molwind-core/src/main/java/org/molwind/graph/.#DefaultEntityGraph.java Thu Oct 29 11:19:09 2009 +0100
3.2 +++ b/molwind-core/src/main/java/org/molwind/graph/.#DefaultEntityGraph.java Thu Oct 29 11:42:56 2009 +0100
3.3 @@ -1,1 +1,1 @@
3.4 -m164320@pluto.bci.merck.de.8411
3.5 \ No newline at end of file
3.6 +m164320@pluto.bci.merck.de.16984
3.7 \ No newline at end of file