#include <BALL/STRUCTURE/rGroupAssembler.h>
Definition at line 21 of file rGroupAssembler.h.
◆ RGroupAssembler() [1/2]
BALL::RGroupAssembler::RGroupAssembler |
( |
String & | scaffold, |
|
|
std::map< String, std::vector< String > > & | rgroups ) |
◆ RGroupAssembler() [2/2]
BALL::RGroupAssembler::RGroupAssembler |
( |
std::vector< String > & | scaffolds, |
|
|
std::map< String, std::vector< String > > & | rgroups ) |
◆ ~RGroupAssembler()
BALL::RGroupAssembler::~RGroupAssembler |
( |
| ) |
|
◆ generateNextMolecule()
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.