Greg Landrum a102eaf932 Add options for substructure searching (#2254) ...

* first pass at adding a SubstructMatchParameter struct

* start moving the rest of the backend to use the parameters

* backend at least mostly moved over

* add aromaticMatchesConjugated
add tests

* switch over the MolBundle too
Add templates to reduce duplicated code

* support older compilers

let's see if it works...

* add SubstructMatchParameters to Python wrapper

* remove some deprecations and warnings

* damn compilers

* parameter support for bundles in python wrapper

* add the parameters to the java wrappers

* response to review

2019-02-08 09:10:10 -05:00

..

src/org/RDKit

aded swig output dir

2013-11-03 13:05:51 +01:00

src-test/org/RDKit

Add options for substructure searching (#2254)

2019-02-08 09:10:10 -05:00

CMakeLists.txt

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

GraphMolJava.i

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

std_list.i

additional functionality required by the knime nodes

2011-04-12 10:09:41 +00:00