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() -> OEMakeDesignUnitOptions
OEMakeDesignUnitOptions(splitOpts: OEDesignUnitSplitOptions,
                        prepOpts: OEDesignUnitPrepOptions,
                        buExtractOpts: OEBioUnitExtractionOptions) -> OEMakeDesignUnitOptions
OEMakeDesignUnitOptions(arg2: OEMakeDesignUnitOptions) -> OEMakeDesignUnitOptions

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).

GetBioUnitExtractionOptions

GetBioUnitExtractionOptions() -> OEBioUnitExtractionOptions

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

GetPrepOptions

GetPrepOptions() -> OEDesignUnitPrepOptions

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

GetSplitOptions

GetSplitOptions() -> OEDesignUnitSplitOptions

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

GetSuperpose

GetSuperpose() -> bool

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

GetSuperpositionMethod

GetSuperpositionMethod() -> int

Returns the stored superposition method taken from the OESuperpositionType namespace.

SetBioUnitExtractionOptions

SetBioUnitExtractionOptions(opts: OEBioUnitExtractionOptions) -> None

Sets the biounit extraction options class (OEBioUnitExtractionOptions).

SetPrepOptions

SetPrepOptions(opts: OEDesignUnitPrepOptions) -> None

Sets the design unit prep options class (OEDesignUnitPrepOptions).

SetSplitOptions

SetSplitOptions(opts: OEDesignUnitSplitOptions) -> None

Sets the system molecular componentization options class (OEDesignUnitSplitOptions).

SetSuperpose

SetSuperpose(value: bool) -> bool

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

SetSuperpositionMethod

SetSuperpositionMethod(value: int) -> bool

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