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add support for replacements in smiles and smarts.

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remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked)
remove useless wrapper file (SmilesParseOps.i).
This commit is contained in:
Greg Landrum
2011-07-07 05:45:31 +00:00
parent 84f2da3323
commit c757ea64b6
4 changed files with 22 additions and 9 deletions
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Code/JavaWrappers/gmwrapper/GraphMolJava.i
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@@ -159,7 +159,6 @@ typedef unsigned long long int uintmax_t;
%include "../SanitException.i"
%include "../SmilesParse.i"
%include "../SmilesWrite.i"
%include "../SmilesParseOps.i"
%include "../SmartsWrite.i"
%include "../MolOps.i"
%include "../MolSupplier.i"
@@ -207,6 +206,7 @@ typedef unsigned long long int uintmax_t;
%template(Long_Pair) std::pair<boost::int64_t,int>;
/* map */
%template(String_String_Map) std::map<std::string,std::string>;
%template(Int_Int_Map) std::map<int,int>;
%template(Int_Point2D_Map) std::map<int, RDGeom::Point2D>;
%template(Int_Point3D_Map) std::map<int, RDGeom::Point3D>;