get the code building with boost 1.53: remove bogus initializer for a boost::shared_array

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2408 a5045d30-4826-4484-9c7f-6e55a06ddc77
committed that a bit early

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2409 a5045d30-4826-4484-9c7f-6e55a06ddc77
fix and initial tests for github issue 4

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2410 a5045d30-4826-4484-9c7f-6e55a06ddc77
add C++ implementation of MACCS keys
(contribution from Roger Sayle)

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2411 a5045d30-4826-4484-9c7f-6e55a06ddc77
add MACCS fingerprints to python wrapper

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2412 a5045d30-4826-4484-9c7f-6e55a06ddc77
add cartridge support for MACCS fingerprints

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2413 a5045d30-4826-4484-9c7f-6e55a06ddc77
add Java wrapper support for MACCS keys

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2414 a5045d30-4826-4484-9c7f-6e55a06ddc77
somewhat optimized version from Roger. 
get the return vector the right size.
note: this still is not thread safe.

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2415 a5045d30-4826-4484-9c7f-6e55a06ddc77
use the boost::flyweight pattern to get thread-safe initialization

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2416 a5045d30-4826-4484-9c7f-6e55a06ddc77
change MACCS pattern 20 to match all Si atoms

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2417 a5045d30-4826-4484-9c7f-6e55a06ddc77
fix and test github issue 3: problems with inchi generation

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2418 a5045d30-4826-4484-9c7f-6e55a06ddc77
add MACCS.h to headers list

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2419 a5045d30-4826-4484-9c7f-6e55a06ddc77
fix and test problems with reading aromatic Si from smiles
(github issue 5)

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2420 a5045d30-4826-4484-9c7f-6e55a06ddc77
get this working for molecules that have not be sanitized too

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2421 a5045d30-4826-4484-9c7f-6e55a06ddc77
update expected values

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2422 a5045d30-4826-4484-9c7f-6e55a06ddc77
add some ring count descriptors

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2423 a5045d30-4826-4484-9c7f-6e55a06ddc77
add support for new descriptors to cartridge

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2424 a5045d30-4826-4484-9c7f-6e55a06ddc77
docs update;
add an overview chapter and a cartridge chapter

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2425 a5045d30-4826-4484-9c7f-6e55a06ddc77
add support for MQN descriptors. Need testing here still

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2426 a5045d30-4826-4484-9c7f-6e55a06ddc77
basic test for the MQN descriptors

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2427 a5045d30-4826-4484-9c7f-6e55a06ddc77