OEMakeDesignUnitOptions

Attention

PRELIMINARY-IMAGE 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 OEMakeDesignUnitOptions

This class stores the optional parameter sets for design unit construction for use in the OEMakeDesignUnit function.

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 the OESuperpositionType namespace.