Adds replaceCore function that takes a matchVect (#1013)

* Adds replaceCore function that takes a matchVect

* Fixes error reporting, adds tests

* Switches PRECONDITION to ValueError exceptions

* Fixes MatchVectType annoyance in swig.  Don't know why this is necessary.

* Silences warnings

* Adds working doctests and better explanations.
This commit is contained in:
Brian Kelley
2016-08-16 22:40:59 -04:00
committed by Greg Landrum
parent ddb13ecc16
commit 71a0ae32b2
6 changed files with 377 additions and 21 deletions

View File

@@ -33,6 +33,8 @@
%{
#include <GraphMol/ChemTransforms/ChemTransforms.h>
// Fixes annoying compilation namespace issue
typedef RDKit::MatchVectType MatchVectType;
%}
%newobject deleteSubstructs;