Commit Graph

14 Commits

Author SHA1 Message Date
Greg Landrum
ec31bea97b clang-tidy-7 pass (#2408) 2019-04-16 12:05:47 -04:00
Greg Landrum
2738c35178 Fixes #1903 (#1971)
* Fixes #1903

* update SWIG bindings too
2018-07-25 09:14:17 +02:00
Paolo Tosco
c08ea49bda - enable building DLLs on Windows (#1861)
* - enable building DLLs on Windows

* - export.h and test.h are now auto-generated by CMake
2018-05-16 08:42:41 +02:00
Greg Landrum
283332e4de Fix/github1366 (#1382)
* add test

* update that test

* add python version of a test

* add some preconditions before dereferencing pointers

* make data members of AtomIterators private (not sure why these were ever made public)

* Fixes #1366

* switch to using std::runtime_error

* switch python tests too

* move the tests from the C++ side to be on the python side.
2017-03-28 16:01:36 -04:00
Greg Landrum
8c10f6a99e Revert "Fix/github1366 (#1374)" (#1381)
This reverts commit cecb51ef35.
2017-03-27 05:58:18 +02:00
Greg Landrum
cecb51ef35 Fix/github1366 (#1374)
* add test

* update that test

* add python version of a test

* add some preconditions before dereferencing pointers

* make data members of AtomIterators private (not sure why these were ever made public)

* Fixes #1366

* switch to using std::runtime_error

* switch python tests too
2017-03-26 22:11:09 -04:00
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Riccardo Vianello
d1c515b26a added const qualifiers to methods that are actually const 2015-04-13 22:47:00 +02:00
Greg Landrum
8076fefc17 add MatchingAtomIterator to C++ 2013-12-16 05:24:19 +01:00
Greg Landrum
aef75dced2 Progress towards #181 2013-12-14 15:45:45 +01:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +00:00
Greg Landrum
052ec66542 cleanups:
remove x bit from headers and sources;
remove a couple empty files from Code/GraphMol
2010-09-08 04:25:57 +00:00
Greg Landrum
e05580e495 This is a sizeable one: change the way BGL is used so that atoms and bonds are stored as bundled properties
instead of using the property map interface.
A nice side-effect is that the wart of having to use property maps to loop over bonds or atom neighbors
is now gone.
This potentially breaks lots of client C++ code.
2009-02-11 20:19:25 +00:00
Greg Landrum
75a79b6327 initial import 2006-05-06 22:20:08 +00:00