#include <BALL/STRUCTURE/rGroupAssembler.h>
Definition at line 21 of file rGroupAssembler.h.
§ RGroupAssembler() [1/2]
BALL::RGroupAssembler::RGroupAssembler |
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String & |
scaffold, |
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std::map< String, std::vector< String > > & |
rgroups |
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§ RGroupAssembler() [2/2]
BALL::RGroupAssembler::RGroupAssembler |
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std::vector< String > & |
scaffolds, |
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std::map< String, std::vector< String > > & |
rgroups |
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§ ~RGroupAssembler()
BALL::RGroupAssembler::~RGroupAssembler |
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§ generateNextMolecule()
Molecule* BALL::RGroupAssembler::generateNextMolecule |
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Generate the next combination of scaffold + R-group and return this molecule. If there are no more combination to be generated, null is returned.