Adding Pt.4 and Pt.6 to the atom type list. With unit tests.
It solves a bug report (missing atom type) sent to me via private email, but the problem is clear, I guess.
patch fails on 1.2.x. Also I don't see the code for the unit test
Applying: Added four and six coordinate neutral platinum atom types
error: org/openscience/cdk/atomtype/CDKAtomTypeMatcher.java: does not exist in index
error: org/openscience/cdk/dict/data/cdk-atom-types.owl: does not exist in index
Patch failed at 0001.
Mmm... sorry about that. I'm looking into it.
OK, the unit tests should be there:
Added four and six coordinate neutral platinum atom types
.../cdk/atomtype/CDKAtomTypeMatcher.java | 10 +++++++
.../openscience/cdk/dict/data/cdk-atom-types.owl | 16 +++++++++++-
.../cdk/atomtype/CDKAtomTypeMatcherSMILESTest.java | 15 +++++++++++
.../cdk/atomtype/CDKAtomTypeMatcherTest.java | 26 ++++++++++++++++++++
4 files changed, 66 insertions(+), 1 deletions(-)
Last two files... the patch was made against master... I thought I had backported it... apparently not properly... will upload a new one shortly...
Proper patch against cdk 1.2.x
Rajarshi, sorry for the inconvenience... please try the new one.
Looks good. Applied and pushed