Molecule Mutator

• Random Building Block
• RandomBuildingBlock
  • RandomBuildingBlock.__init__()
  • RandomBuildingBlock.mutate()
• Random Topology Graph
• RandomTopologyGraph
  • RandomTopologyGraph.__init__()
  • RandomTopologyGraph.mutate()
• Similar Building Block
• SimilarBuildingBlock
  • SimilarBuildingBlock.__init__()
  • SimilarBuildingBlock.mutate()

class MoleculeMutator

Bases: object

Abstract base class for molecule mutators.

Examples

Subclass Implementation

You only need to implement mutate(). The source code of any of the classes listed in mutator can serve as good examples.

Methods

mutate(record)

Return a mutant of record.

mutate(record)

Return a mutant of record.

Parameters:

record (MoleculeRecord) – The molecule to be mutated.

Returns:

• MutationRecord – A record of the mutation.

• None (NoneType) – If record cannot be mutated.