SynthonSpaceSearchHelpers.h File Reference

#include <functional>
#include <GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h>
#include <GraphMol/SynthonSpaceSearch/SynthonShapeInput.h>

Go to the source code of this file.

Classes
struct	RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
struct	RDKit::SynthonSpaceSearch::ShapeBuildParams

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::SynthonSpaceSearch

Typedefs
using	RDKit::SynthonSpaceSearch::UserConfGenerator
using	RDKit::SynthonSpaceSearch::ShapeSet = std::vector<std::unique_ptr<SynthonShapeInput>>

Enumerations
enum class	RDKit::SynthonSpaceSearch::ThreadMode : unsigned char { RDKit::SynthonSpaceSearch::ThreadReactions , RDKit::SynthonSpaceSearch::ThreadFragments }
enum class	RDKit::SynthonSpaceSearch::FragSetUniquifyMode : unsigned char { RDKit::SynthonSpaceSearch::BySmiles , RDKit::SynthonSpaceSearch::ByAtoms }

Variables
const std::vector< std::string >	RDKit::SynthonSpaceSearch::CONNECTOR_SYMBOLS {"[U]", "[Np]", "[Pu]", "[Am]"}
constexpr unsigned int	RDKit::SynthonSpaceSearch::MAX_CONNECTOR_NUM {4}