OEDesignUnitMutationOptions

Attention

PRELIMINARY-IMAGE This is a preliminary API until Fall 2020 and may be improved based on user feedback. It is currently available in C++ and Python.

class OEDesignUnitMutationOptions

This class stores the optional parameter sets used in design unit mutation for use in the OEMutateResidues function.

Constructors

OEDesignUnitMutationOptions()=default
OEDesignUnitMutationOptions(const OEDesignUnitMutationOptions &)=default

Default and copy constructors.

operator=

OEDesignUnitMutationOptions &
  operator=(const OEDesignUnitMutationOptions &)=default

Assignment operator.

AddMutation

void AddMutation(const OEChem::OEResidue mutationRes, const unsigned targetIdx)

Adds a mutation to make based on an input OEResidue object, along with a constant representing the target component which is taken from the OEDesignUnitComponents namespace.

ClearMutations

void ClearMutations()

Clears all mutations.

GetMutations

std::map<OEChem::OEResidue, unsigned> GetMutations() const

Returns the stored std::map of mutations, which is keyed on an OEResidue object with a value of the target component which is taken from the OEDesignUnitComponents namespace.

SetMutations

void SetMutations(const std::map<OEChem::OEResidue, unsigned> &mutations)

Sets the stored std::map of mutations, which is keyed on an OEResidue object with a value of the target component which is taken from the OEDesignUnitComponents namespace.

See also