Brian Kelley 95a92282d1 Dictionary access is saniztized and optimized. ...

o rdkit gains a RDKit::common_properties namespace that contains common string value properties

 o Dict.h and below gain getPropIfPresent that attempts to retrieve a property and returns
  true/false on success or failure.  This is used to optimize access.

 o rdkit learns how to pass property keys by reference, not value.

A new namespace has been added to RDKit, common_properties
that contains the std::string values for commonly used
properties.  This helps to avoid typos in string values
but also avoids a creation of std::strings from character
values.  All accessors (has/get/clear and getPropIfPresent) now pass
the key by reference.

Additionally, getPropIfPresent removes the double lookup
of hasProp/getProp which can be a significant speedup
in the smiles and smarts parsers (10-20%)

2015-01-15 12:23:29 -05:00

..

Basement

Dictionary access is saniztized and optimized.

2015-01-15 12:23:29 -05:00

Draw

boost_system not required

2014-01-04 16:48:57 +01:00

GettingStarted

added

2011-08-15 03:38:32 +00:00

MPI

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00