mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
21a8a263bd
* TautomerQuery class * working test * Comment header * Merge with master. Greg's suggestions. More tests. Python wrapper * Updated Pattern Fingerprints to merge with master. Reset email * Java/C# wrappers. Java test * Java/C# wrappers. Java test * Java/C# wrappers. Java test * Greg suggestions of 6_2_2020 * Explicit types in Java TautomerQueryTests class * Update Code/GraphMol/QueryOps.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * get windows dll builds working * Removed tautomer query wrappers from RDKit namespace * Fixes from evaluation * Template molecule identification fix. Greg's suggestion * Final check search functor for evaluating template matches as they are found Co-authored-by: Gareth Jones <gjones@glysade.com> Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
14 lines
241 B
OpenEdge ABL
14 lines
241 B
OpenEdge ABL
//%import "ROMol.i"
|
|
%include "std_vector.i"
|
|
|
|
|
|
%{
|
|
#include <vector>
|
|
#include <GraphMol/TautomerQuery/TautomerQuery.h>
|
|
%}
|
|
%shared_ptr(RDKit::ROMol)
|
|
%template(Sizet_Vect) std::vector<size_t>;
|
|
|
|
%include <GraphMol/TautomerQuery/TautomerQuery.h>
|
|
|