OEDesignUnitBuildOptions

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 OEDesignUnitBuildOptions

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

Constructors

OEDesignUnitBuildOptions()=default
OEDesignUnitBuildOptions(const OEDesignUnitBuildOptions &)=default

Default and copy constructor that constructs a OEDesignUnitBuildOptions object.

operator=

OEDesignUnitBuildOptions &operator=(const OEDesignUnitBuildOptions &)=default

Assignment operator.

GetBuildLoops

bool GetBuildLoops() const

Returns the boolean whether or not to build loops.

GetBuildSidechains

bool GetBuildSidechains() const

Returns the boolean whether or not to build side chains.

GetCapCTermini

bool GetCapCTermini() const

Returns the boolean whether or not to cap all C-termini in the system with NME.

GetCapNTermini

bool GetCapNTermini() const

Returns the boolean whether or not to cap all N-termini in the system with ACE.

GetSidechainBuilderOptions

OESidechainBuilderOptions &GetSidechainBuilderOptions()
const OESidechainBuilderOptions &GetSidechainBuilderOptions() const

Returns a reference to the stored sidechain builder options (OESidechainBuilderOptions) class.

GetLoopBuilderOptions

OELoopBuilderOptions &GetLoopBuilderOptions()
const OELoopBuilderOptions &GetLoopBuilderOptions() const

Returns a reference to the stored loop builder options (OELoopBuilderOptions) class.

GetCapBuilderOptions

OECapBuilderOptions &GetCapBuilderOptions()
const OECapBuilderOptions &GetCapBuilderOptions() const

Returns a reference to the stored cap builder options (OECapBuilderOptions) class.

SetBuildLoops

void SetBuildLoops(bool buildLoops)

Sets the boolean of whether or not to build loops.

SetBuildSidechains

void SetBuildSidechains(bool buildSidechains)

Sets the boolean of whether or not to build side chains.

SetCapCTermini

void SetCapCTermini(bool capCTermini)

Sets the boolean of whether or not to cap all C-termini in the system with NME.

SetCapNTermini

void SetCapNTermini(bool capNTermini)

Sets the boolean of whether or not to cap all N-termini in the system with ACE.

SetSidechainBuilderOptions

void SetSidechainBuilderOptions(OESidechainBuilderOption scOpts)

Set the sidechain builder options class (OESidechainBuilderOption).

SetCapBuilderOptions

void SetCapBuilderOptions(OECapBuilderOptions capOpts)

Set the cap builder options class (OECapBuilderOptions).

SetLoopBuilderOptions

void SetLoopBuilderOptions(OELoopBuilderOptions lOpts)

Set the loop builder options class (OELoopBuilderOptions).