EnumerateTypes.h

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#include <RDGeneral/export.h>
#ifndef ENUMERATETYPES_H
#define ENUMERATETYPES_H
 
#include <GraphMol/RDKitBase.h>
 
namespace RDKit {
namespace EnumerationTypes {
//! BBS - Helper typedef for holding building blocks for reactions
//!   holds vectors of reagents for each reactant in a Reaction
typedef std::vector<MOL_SPTR_VECT> BBS;
 
//! RGROUPS Helper typedef for indexing into the BBS vector
//!  - The indices into the BBS molecule list to create a product
//!  Example
//!   RGROUPS groups;
//!   groups.push_back(10);
//!   groups.push_back(5);
//!
//!   Will create a product from the following building blocks:
//!   MOL_SPTR_VECT building_blocks;
//!   building_blocks.push_back( BBS[0][groups[0] );
//!   building_blocks.push_back( BBS[1][groups[1] );
//!    rxn.runReactants( building_blocks );
typedef std::vector<boost::uint64_t> RGROUPS;
}  // namespace EnumerationTypes
}  // namespace RDKit
#endif