quick cleanup
Signed-off-by:Syed Asad Rahman <s9asad@gmail.com>
fixed immutable object call
Signed-off-by:Syed Asad Rahman <s9asad@gmail.com>
2013 to 2014
updated the test case with the latest CDK code for Ring search (as Cycles) and SMILES generator
updated the code for Ring search (as Cycles) and SMILES generator based on the latest  CDK 1.5.6 release
formatting
new Aromatizer code included
new Aromatizer code included
default iterations increased to 2000
debug statement added
test cases optimised
new CDK aromatizer added, debug statements switched off
new CDK aromatizer added, debug statements switched off
Merge branch 'master' of github.com:asad/SMSD