ScaffoldNetwork.h File Reference

#include <RDGeneral/export.h>
#include <vector>
#include <map>
#include <string>
#include <sstream>
#include <memory>

Go to the source code of this file.

Classes
struct	RDKit::ScaffoldNetwork::ScaffoldNetworkParams
struct	RDKit::ScaffoldNetwork::NetworkEdge
struct	RDKit::ScaffoldNetwork::ScaffoldNetwork

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::ScaffoldNetwork

Enumerations
enum class	RDKit::ScaffoldNetwork::EdgeType {   RDKit::ScaffoldNetwork::Fragment = 1 , RDKit::ScaffoldNetwork::Generic = 2 , RDKit::ScaffoldNetwork::GenericBond = 3 , RDKit::ScaffoldNetwork::RemoveAttachment = 4 ,   RDKit::ScaffoldNetwork::Initialize = 5 }

Functions
template<typename T>
void	RDKit::ScaffoldNetwork::updateScaffoldNetwork (const T &mols, ScaffoldNetwork &network, const ScaffoldNetworkParams &params)
	update an existing ScaffoldNetwork using a set of molecules
template<typename T>
ScaffoldNetwork	RDKit::ScaffoldNetwork::createScaffoldNetwork (const T &mols, const ScaffoldNetworkParams &params)
	create a new ScaffoldNetwork for a set of molecules
std::ostream &	RDKit::ScaffoldNetwork::operator<< (std::ostream &ostr, const RDKit::ScaffoldNetwork::EdgeType &e)
	allows nodes to output nicely as strings
std::ostream &	RDKit::ScaffoldNetwork::operator<< (std::ostream &ostr, const RDKit::ScaffoldNetwork::NetworkEdge &e)
	allows edges to output nicely as strings
RDKIT_SCAFFOLDNETWORK_EXPORT ScaffoldNetworkParams	RDKit::ScaffoldNetwork::getBRICSNetworkParams ()