# OEDesignUnitSplitOptions¶

Attention

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

class OEDesignUnitSplitOptions


This class stores the optional parameter sets for design unit building for use in the OEMakeDesignUnitOptions function.

## Constructors¶

OEDesignUnitSplitOptions()=default
OEDesignUnitSplitOptions(const OEDesignUnitSplitOptions &)=default


Default and copy constructor that constructs a OEDesignUnitSplitOptions object.

## operator=¶

OEDesignUnitSplitOptions &operator=(const OEDesignUnitSplitOptions &)=default


Assignment operator.

## AddCofactorCode¶

void AddCofactorCode(const std::string argValue)


Explicitly sets the name of the molecule(s) to be considered a cofactor.

## AddExcipientCode¶

void AddExcipientCode(const std::string argValue)


Explicitly sets the name of the molecule(s) to be considered an excipient.

## ClearCofactorCodes¶

void ClearCofactorCodes()


Removes the name(s) of the molecules considered to be cofactors.

## ClearExcipientCodes¶

void ClearExcipientCodes()


Removes the name(s) of the molecules considered to be excipients.

## GetAlternateLocationHandling¶

unsigned GetAlternateLocationHandling() const


Returns the value of the altnerate location handling mode, which is given by the OEAlternateLocationOption namespace.

## GetCofactorCodes¶

std::vector<std::string> &GetCofactorCodes()
const std::vector<std::string> &GetCofactorCodes() const


Returns a reference to the vector of the the name(s) of the molecule(s) considered to be cofactors.

## GetExcipientCodes¶

std::vector<std::string> &GetExcipientCodes()
const std::vector<std::string> &GetExcipientCodes() const


Returns a reference to the stored vector of strings representing names of molecules that should be considered excipients.

## GetMakePackingResidues¶

bool GetMakePackingResidues() const


Returns the boolean whether or not to make packing residues.

## GetMaxLigAtoms¶

unsigned GetMaxLigAtoms() const


Returns the maximum number of atoms for a molecule to still be considered a ligand.

## GetMaxLigResidues¶

unsigned GetMaxLigResidues() const


Returns the maximum number of residues for a molecule to still be considered a ligand.

## GetMaxSystemAtoms¶

unsigned GetMaxSystemAtoms() const


Returns the maximum number of atoms for a system to be split.

## GetMinLigAtoms¶

unsigned GetMinLigAtoms() const


Returns the minimum number of atoms for a molecule to still be considered a ligand.

## GetTargetComponentID¶

unsigned GetTargetComponentID() const


Returns the constant of the target component, which is taken from the OEDesignUnitComponents namespace.

## SetAlternateLocationHandling¶

void SetAlternateLocationHandling(unsigned altLocHandling)


Sets the constant that controls how alternate location enumeration will be handled, which is taken from the OEAlternateLocationOption namespace.

## SetCofactorCodes¶

void SetCofactorCodes(const std::vector<std::string> &argValue)


Sets the vector of strings representing names of molecules that should be considered cofactors.

## SetExcipientCodes¶

void SetExcipientCodes(const std::vector<std::string> &argValue)


Sets the vector of strings representing names of molecules that should be considered excipients.

## SetMakePackingResidues¶

void SetMakePackingResidues(bool makePackingResidues)


Sets the boolean of whether or not to make a packing residue component.

## SetMaxLigAtoms¶

void SetMaxLigAtoms(unsigned maxLigAtoms)


Sets the maximum number of atoms for a molecule to be considered a ligand.

## SetMaxLigResidues¶

void SetMaxLigResidues(unsigned maxLigResidues)


Sets the maximum number of residues for a molecule to be considered a ligand.

## SetMaxSystemAtoms¶

void SetMaxSystemAtoms(unsigned maxSystemAtoms)


Sets the maximum number of atoms for a system to be split.

## SetMinLigAtoms¶

void SetMinLigAtoms(unsigned minLigAtoms)


Sets the minimum number of atoms for a molecule to be considered a ligand.

## SetTargetComponentID¶

void SetTargetComponentID(unsigned targetCompID)


Sets the constant of the target component, which is taken from the OEDesignUnitComponents namespace.