OEMakeDesignUnitOptions¶

Attention

This API is currently available in C++ and Python.

The OEMakeDesignUnitOptions class holds other options classes that are used during the structure preparation processes. The organization of those options classes is illustrated in the figure below. Default constructing this options class, constructs all the necessary options classes in the illustration, which can then be accessed and modified. This class stores the optional parameter sets for design unit construction for use in the OEMakeDesignUnits and OEMakeDesignUnit functions.

Constructors¶

OEMakeDesignUnitOptions()=default
OEMakeDesignUnitOptions(const OEMakeDesignUnitOptions &)=default
OEMakeDesignUnitOptions(OEDesignUnitSplitOptions splitOpts,
                        OEDesignUnitPrepOptions prepOpts,
                        OEBioUnitExtractionOptions buExtractOpts)

Default, copy, and advanced constructor that constructs a OEMakeDesignUnitOptions object. The advanced constructor take three separate sub-options classes as arguments: an options class that controls componentization of the system (OEDesignUnitSplitOptions), an options class that controls prep (OEDesignUnitPrepOptions), and an options class that controls biounit extraction (OEBioUnitExtractionOptions).

operator=¶

OEMakeDesignUnitOptions &operator=(const OEMakeDesignUnitOptions &)=default

Assignment operator.

GetBioUnitExtractionOptions¶

OEBioUnitExtractionOptions &GetBioUnitExtractionOptions()
const OEBioUnitExtractionOptions &GetBioUnitExtractionOptions() const

Returns a reference to the stored biounit extraction options (OEBioUnitExtractionOptions) class.

GetPrepOptions¶

OEDesignUnitPrepOptions &GetPrepOptions()
const OEDesignUnitPrepOptions &GetPrepOptions() const

Returns a reference to the stored design unit prep options (OEDesignUnitPrepOptions) class.

GetSplitOptions¶

OEDesignUnitSplitOptions &GetSplitOptions()
const OEDesignUnitSplitOptions &GetSplitOptions() const

Returns a reference to the stored options for splitting options (OEDesignUnitSplitOptions) class.

GetSuperpose¶

bool GetSuperpose() const

Returns the boolean whether or not to superpose the design units onto a common reference.

GetSuperpositionMethod¶

unsigned GetSuperpositionMethod() const

Returns the stored superposition method taken from the OESuperpositionType namespace.

SetBioUnitExtractionOptions¶

void SetBioUnitExtractionOptions(OEBioUnitExtractionOptions buExtractOpts)

Sets the biounit extraction options class (OEBioUnitExtractionOptions).

SetPrepOptions¶

void SetPrepOptions(OEDesignUnitPrepOptions prepOpts)

Sets the design unit prep options class (OEDesignUnitPrepOptions).

SetSplitOptions¶

void SetSplitOptions(OEDesignUnitSplitOptions splitOpts)

Sets the system molecular componentization options class (OEDesignUnitSplitOptions).

SetSuperpose¶

void SetSuperpose(bool superpose)

Sets the boolean of whether or not to superpose design units to a common reference.

SetSuperpositionMethod¶

void SetSuperpositionMethod(unsigned superposeMethod)

Sets the superposition method from a value in the OESuperpositionType namespace.