//  $Id$
//
//  Copyright (C) 2003 Rational Discovery LLC
//   All Rights Reserved
//
#ifndef _TEMPLENUM_H_
#define _TEMPLENUM_H_
#include <exception>
#include <vector>
#include <GraphMol/RDKitBase.h>

namespace TemplateEnum {
using namespace RDKit;

class EnumException : public std::exception {
 public:
  EnumException(const char *msg) : _msg(msg){};
  EnumException(const std::string msg) : _msg(msg){};
  const char *message() const { return _msg.c_str(); };
  ~EnumException() throw(){};

 private:
  std::string _msg;
};

void orientSidechain(RWMol *mol, RWMol *sidechain, int molAttachIdx,
                     int sidechainAttachIdx);

typedef std::vector<RWMOL_SPTR_VECT> VECT_RWMOL_SPTR_VECT;
void markAttachmentPoints(RWMOL_SPTR *mol, char frontMarker = 'X');
void markAttachmentPoints(RWMol *mol, char frontMarker = 'X');
void prepareSidechains(RWMOL_SPTR_VECT *sidechains, char frontMarker = 'Y');
RWMOL_SPTR_VECT enumerateLibrary(RWMol *mol, VECT_RWMOL_SPTR_VECT &sidechains,
                                 bool orientSidechains = true);
RWMOL_SPTR_VECT enumFromFiles(const char *templateName,
                              std::vector<const char *> &sidechainName);

}  // namespace TemplateEnum
#endif
