<commit_before>******  Release_Q32010_1 *******
(Changes relative to Release_Q22010_1)

!!!!!! IMPORTANT !!!!!!
 - Due to changes made to the layered fingerprinting code,
   fingerprints generated with this release are not compatible with
   fingerprints from earlier releases.
 - The default arguments to the Morgan fingerprinting code will yield
   fingerprints that are not backwards compatible.

Acknowledgements:
 - <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, Markus
   Kossner 
   
Bug Fixes: 
 - A typo in the parameters for the Crippen clogp calculator was
   fixed. (issue 3057201)
 - some problems in the layered fingerprinting code were fixed. (issue
   3030388)
 - a bug in the ring-finding code that could lead to incorrect results
   or crashes in large molecules was fixed.  
 - the Murtagh clustering code should now execute correctly on recent
   versions of the MacOS.

New Features:
 - a PostgreSQL cartridge for similarity and substructure searching
   has been added to the RDKit distribution.
 - The Morgan fingerprinting code accepts additional arguments that
   control whether or not bond order and chirality are taken into
   account. By default chirality is ignored and the bond order is
   used. 
 - 2D coordinates can now be generated for chemical reactions.
 - The functions IsMoleculeReactantOfReaction and
   IsMoleculeProductOfReaction have been added to the C++
   interface. From python these are methods of the ChemicalReaction class:
   rxn.IsMoleculeReactant and rxn.IsMoleculeProduct
 - The default bond length for depiction can now be changed.
 - FCFP-like fingerprints can now be generated with the Morgan
   fingerprinting code by starting with feature invariants.
 - The close() method has been added to MolWriters.
 - Atom-pair and topological-torsion fingerprints can now also be
   calculated as bit vectors.
 - RDKit and layered fingerprints can now be generated using only
   linear paths.
 - the function findAllPathsOfLengthMtoN() was added

Deprecated modules (to be removed in next release):
 
Removed modules:
 - rdkit/qtGui
 - rdkit/RDToDo
 - Projects/SDView

Other:
 - The directory Contrib/M_Kossner contains two new contributions from
   <NAME>.
 - A change was made to the subgraph matching code that speeds up
   substructure searches involving repeated recursive queries.
 - the deprecated useChirality argument has been removed from the
   substructure matching functions. 

******  Release_Q22010_1 *******
(Changes relative to Release_Q12010_1)
<commit_msg>more release note updates<commit_after>******  Release_Q32010_1 *******
(Changes relative to Release_Q22010_1)

!!!!!! IMPORTANT !!!!!!
 - Due to changes made to the layered fingerprinting code,
   fingerprints generated with this release are not compatible with
   fingerprints from earlier releases.
 - The default arguments to the Morgan fingerprinting code will yield
   fingerprints that are not backwards compatible.

Acknowledgements:
 - <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, Markus
   Kossner, <NAME>, <NAME>, <NAME>, <NAME> 
   
Bug Fixes: 
 - A typo in the parameters for the Crippen clogp calculator was
   fixed. (issue 3057201)
 - some problems in the layered fingerprinting code were fixed. (issue
   3030388)
 - a bug in the ring-finding code that could lead to incorrect results
   or crashes in large molecules was fixed.  
 - the Murtagh clustering code should now execute correctly on recent
   versions of the MacOS.
 - some problems with the cairo canvas were fixed

New Features:
 - a PostgreSQL cartridge for similarity and substructure searching
   has been added to the RDKit distribution.
 - The Morgan fingerprinting code accepts additional arguments that
   control whether or not bond order and chirality are taken into
   account. By default chirality is ignored and the bond order is
   used. Another change with the MorganFPs is that ring information is
   now included by default. 
 - 2D coordinates can now be generated for chemical reactions.
 - The functions IsMoleculeReactantOfReaction and
   IsMoleculeProductOfReaction have been added to the C++
   interface. From python these are methods of the ChemicalReaction
   class: 
   rxn.IsMoleculeReactant and rxn.IsMoleculeProduct
 - The default bond length for depiction can now be changed.
 - FCFP-like fingerprints can now be generated with the Morgan
   fingerprinting code by starting with feature invariants.
 - The close() method has been added to MolWriters.
 - Morgan, atom-pair, and topological-torsion fingerprints can now
   also be calculated as bit vectors.
 - RDKit and layered fingerprints can now be generated using only
   linear paths.
 - the function findAllPathsOfLengthMtoN() was added

Deprecated modules (to be removed in next release):
 
Removed modules:
 - rdkit/qtGui
 - rdkit/RDToDo
 - Projects/SDView

Other:
 - the RDBASE environment variable is no longer required. It will be
   used if set, but the code should work without it
 - The directory Contrib/M_Kossner contains two new contributions from
   <NAME>.
 - A change was made to the subgraph matching code that speeds up
   substructure searches involving repeated recursive queries.
 - the deprecated registerQuery argument has been removed from the
   substructure matching functions.
 - the empty header files AtomProps.h and BondProps.h have been
   removed.
 - in order to simplify the build process the test databases are now
   in svn
 - some python functions to calculate descriptors (i.e. pyMolWt,
   pyMolLogP, etc.) that have C++ equivalents have been removed to
   clean up the interface
 - the PIL canvas should no longer generate warnings
 - Thanks to the help of <NAME> and <NAME>, it is
   now much easier to package and distribute the RDKit.

******  Release_Q22010_1 *******
(Changes relative to Release_Q12010_1)

{'fraction_non_alphanumeric': 0.05324630711095844, 'fraction_numerical': 0.013397457918241155, 'mean_word_length': 3.930567315834039, 'pattern_counts': {'":': 0, '<': 21, '<?xml version=': 0, '>': 21, 'https://': 0, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'dir': 'git-commits-cleaned', 'id': '6766114', 'n_tokens_mistral': 1612, 'n_tokens_neox': 1462, 'n_words': 754}