BALL::RGroupAssembler Class Reference

#include <BALL/STRUCTURE/rGroupAssembler.h>

Public Member Functions
	RGroupAssembler (String &scaffold, std::map< String, std::vector< String > > &rgroups)
	RGroupAssembler (std::vector< String > &scaffolds, std::map< String, std::vector< String > > &rgroups)
	~RGroupAssembler ()
Molecule *	generateNextMolecule ()

Detailed Description

Definition at line 21 of file rGroupAssembler.h.

Constructor & Destructor Documentation

BALL::RGroupAssembler::RGroupAssembler	(	String &	scaffold,
		std::map< String, std::vector< String > > &	rgroups
	)

BALL::RGroupAssembler::RGroupAssembler	(	std::vector< String > &	scaffolds,
		std::map< String, std::vector< String > > &	rgroups
	)

BALL::RGroupAssembler::~RGroupAssembler

(

)

Member Function Documentation

Molecule* BALL::RGroupAssembler::generateNextMolecule

(

)

Generate the next combination of scaffold + R-group and return this molecule. If there are no more combination to be generated, null is returned.