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//
// Copyright (C) 2003-2008 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <RDGeneral/export.h>
#ifndef _RD_DEPICTOR_H_
#define _RD_DEPICTOR_H_
#include <string>
#ifdef WIN32_DLLBUILD
#include <windows.h>
#endif
#include <GraphMol/RDKitBase.h>
#include <GraphMol/FileParsers/FileParsers.h>
#include <GraphMol/SmilesParse/SmilesWrite.h>
namespace RDKit {
#ifdef WIN32_DLLBUILD
typedef void(CALLBACK* Depictor_TwoArgFunc)(const char* arg1, const char* arg2);
typedef void(CALLBACK* Depictor_OneArgFunc)(const char* arg1);
int SmilesToMolFileDLL(std::string smi, std::string fName,
std::string dllName = "depict32-0.dll");
int Add2DCoordsToMolDLL(ROMol& mol, std::string tempFilename = "temp-conv.mol");
int Add2DCoordsToMol(ROMol& mol, bool useDLL = true);
#else
int Add2DCoordsToMol(ROMol &mol, bool useDLL = false);
#endif
}
#endif
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