Commit Graph

11 Commits

Author SHA1 Message Date
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Brian Kelley
6ebbeb3bd3 Major conversion of std::string API to const std::string & 2015-09-25 15:15:59 -04:00
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
3b3d44db16 remove exe property from source files 2011-01-13 04:22:56 +00:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +00:00
Greg Landrum
a09fd9f63a cleanup work on file parsers code; add v3K rxn support 2010-06-03 06:59:48 +00:00
Greg Landrum
61b05af6fc Modify suppliers and parsers so that they don't throw
exceptions into python when reading a bad molecule. (Feature
request 1932875)

Modify constructors for both suppliers and parsers so that 
throw BadFileExceptions if they cannot open the file. (Feature
request 1938303)
2008-04-09 03:33:49 +00:00
Greg Landrum
547f71ec7c further work on the TPL reader/writer 2007-03-04 16:22:11 +00:00
Greg Landrum
804b3dbf88 TPL reading is now getting close to being done 2007-03-03 06:38:03 +00:00
Greg Landrum
3f8e053b31 again, just a backup commit; 2007-03-02 06:40:25 +00:00
Greg Landrum
9d6d55b523 just a backup commit; this isn't quite done yet 2007-03-02 06:21:59 +00:00