Commit Graph

23 Commits

Author SHA1 Message Date
Greg Landrum
915cf08faa run clang-format with c++-11 style over that 2017-04-22 17:19:10 +02:00
Greg Landrum
7c0bb0b743 clang-tidy output 2017-04-22 17:09:24 +02:00
Brian Kelley
2debdfde0d Adds RDAny (smaller generic holder) Updates all used dictionaries (#896)
* Adds RDAny (smaller generic holder) Updates all used dictionaries

This is an API compliant version of the current rdany system,
but uses a lot less memory in practice.

* Removes code duplication

* Converts CHECK_INVARIANT to TEST_ASSERT

* Fixes DoubleTag issue

* Adds Bool to DoubleMagic implementation

* Removes reference to property pickler
2016-05-29 17:04:21 +01:00
Brian Kelley
250374b4e3 Fixes Boost 1.46 issues with type traits 2016-01-25 13:26:32 -05:00
Greg Landrum
2d81174b6e Fixes #703 2015-12-18 15:55:48 +01:00
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Greg Landrum
d688b53ae4 Fixes #577 2015-08-24 19:50:37 +02:00
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
e196794970 go back to using strings in the dictionary to avoid the memory leaks 2013-07-17 12:58:57 -04:00
Greg Landrum
a79623737e initial attempt at switching to a const char * dict 2013-07-16 03:01:13 -04:00
Greg Landrum
5542938c03 backup 2013-07-16 02:28:38 -04:00
Greg Landrum
55c048629a cleanup includes 2013-06-14 07:02:09 +02:00
Greg Landrum
b805eaae80 Fixes #50 2013-06-12 05:51:32 +02:00
Greg Landrum
be39e8198f allow Dicts to convert from string or char * to numeric types;
this is the fix for issue288
2013-02-04 04:51:51 +00:00
Greg Landrum
b75f42fd4b Dict templating fix from James Swetnam 2012-08-24 04:03:54 +00:00
Greg Landrum
ed2b788c5d better fix for sf.net issue 3313539 2011-06-09 05:28:12 +00:00
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
3c69983aa2 remove lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems 2009-10-30 09:30:27 +00:00
Greg Landrum
e6604b4208 refactor the Dict a bit 2008-03-28 08:27:25 +00:00
Greg Landrum
54ed42d875 support a couple more types 2007-11-30 05:21:18 +00:00
Greg Landrum
5d03333c22 setup svn keywords (should have done this before import... grn) 2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327 initial import 2006-05-06 22:20:08 +00:00