Commit Graph

3 Commits

Author SHA1 Message Date
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
Greg Landrum
85a631466a disable building of FMCSTest, which only works on a few systems, and remove a bunch of compiler warnings for when it is built 2014-11-03 13:47:46 +01:00
Alexander Savelyev
51e886d89d fmcs cosmetic changes. code clean-up. unit tests 2014-08-14 22:11:44 +04:00