more drawing updates

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2449 a5045d30-4826-4484-9c7f-6e55a06ddc77
more drawing updates

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2450 a5045d30-4826-4484-9c7f-6e55a06ddc77
do not include _static versions for test links. This breaks on windows

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2451 a5045d30-4826-4484-9c7f-6e55a06ddc77
another pass at getting the path canonicalization working

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2452 a5045d30-4826-4484-9c7f-6e55a06ddc77
back to the original fp hashing scheme + atom degrees

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2453 a5045d30-4826-4484-9c7f-6e55a06ddc77
further optimization; switch back to the original hashing scheme

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2454 a5045d30-4826-4484-9c7f-6e55a06ddc77
add changes from sf.net 290:
vastly improved speed of the UFF code

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2455 a5045d30-4826-4484-9c7f-6e55a06ddc77
add this back

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2456 a5045d30-4826-4484-9c7f-6e55a06ddc77
update MolOps.cpp for older boost version

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2457 a5045d30-4826-4484-9c7f-6e55a06ddc77
further fingerprint improvements;
remove unused arguments for the layered fingerprint

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2458 a5045d30-4826-4484-9c7f-6e55a06ddc77
remove unused arguments for LayeredFingerprintMol

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2459 a5045d30-4826-4484-9c7f-6e55a06ddc77
rename layered fingerprint2 -> pattern fingerprint
rearrange fingerprint code a bit

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2460 a5045d30-4826-4484-9c7f-6e55a06ddc77
use pattern fingerprint
switch rdkit fp to only go to length 6

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2461 a5045d30-4826-4484-9c7f-6e55a06ddc77
use caching of vertex matches to speed up the VF2 searches

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2462 a5045d30-4826-4484-9c7f-6e55a06ddc77
set props

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2463 a5045d30-4826-4484-9c7f-6e55a06ddc77
fix and test GitHub issue 15

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2464 a5045d30-4826-4484-9c7f-6e55a06ddc77
switching to an SSS fp size of 2048; this helps a lot with ChEMBL queries

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2465 a5045d30-4826-4484-9c7f-6e55a06ddc77
update tests;
fix github issue 9

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2466 a5045d30-4826-4484-9c7f-6e55a06ddc77
code cleanup

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2467 a5045d30-4826-4484-9c7f-6e55a06ddc77
plug a fingerprint core leak in the SWIG wrappers

git-svn-id: svn://svn.code.sf.net/p/rdkit/code/trunk@2468 a5045d30-4826-4484-9c7f-6e55a06ddc77