On Sat, 9 May 2015 09:36 am, vjp2...@at.biostrategist.dot.dot.com wrote: > How do I do this in a .bat file? > Do I include the Jython or pipe it? > > % CLASSPATH=$CLASSPATH:$RDBASE/Code/JavaWrappers/gmwrapper/org.RDKit.jar; > jython > -Djava.library.path=$RDBASE/Code/JavaWrappers/gmwrapper > Jython 2.2.1 on java1.6.0_20 > Type "copyright", "credits" or "license" for more information. >>>> from org.RDKit import * >>>> from java import lang >>>> lang.System.loadLibrary('GraphMolWrap') >>>> m = RWMol.MolFromSmiles('c1ccccc1') >>>> m.getNumAtoms()
I'm not sure I fully understand your question, but perhaps this will help. I haven't used Windows for anything like this for decades, but I would expect something like this: (1) Create a file containing your Python code and call it "myscript.py" (or any other meaningful name): from org.RDKit import * from java import lang lang.System.loadLibrary('GraphMolWrap') m = RWMol.MolFromSmiles('c1ccccc1') m.getNumAtoms() (2) Create a .bat file which calls Jython. I don't remember .bat syntax, but perhaps it is something like this? CLASSPATH=$CLASSPATH:$RDBASE/Code/JavaWrappers/gmwrapper/org.RDKit.jar; jython -Djava.library.path=$RDBASE/Code/JavaWrappers/gmwrapper myscript.py And that's it. Does that work? Any Windows users like to comment? -- Steven -- https://mail.python.org/mailman/listinfo/python-list