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a bit of refactoring

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This commit is contained in:
Greg Landrum
2008-03-19 05:34:26 +00:00
parent dc4e960587
commit 27c324bd6a
3 changed files with 34 additions and 34 deletions
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27
Code/Demos/SWIG/java_example/RDKFuncs.cpp
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@@ -4,31 +4,8 @@
// All Rights Reserved
//
#include <string>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/MolPickler.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/SmilesParse/SmilesWrite.h>
#include <GraphMol/ChemReactions/ReactionParser.h>
#include "RDKFuncs.h"
using namespace RDKit;
//ROMol *MolFromSmiles(std::string smi) {
ROMOL_SPTR MolFromSmiles(std::string smi) {
return ROMOL_SPTR(SmilesToMol(smi));;
};
ROMOL_SPTR MolFromSmarts(std::string sma) {
return ROMOL_SPTR(SmartsToMol(sma));
};
std::string MolToSmiles(ROMOL_SPTR mol,bool doIsomericSmiles,
bool doKekule, int rootedAtAtom) {
return MolToSmiles(*mol,doIsomericSmiles,doKekule,rootedAtAtom);
};
ChemicalReaction *ReactionFromSmarts(std::string sma) {
return RxnSmartsToChemicalReaction(sma);
};