OEBroodHitlistOptions¶

Attention

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

class OEBroodHitlistOptions : public OESystem::OEOptions

This class provides an interface to setup options required for generating a hitlist in :ref: OEHitlistBuilder<OEBioisostere_OEHitlistBuilder> from a set of :ref: brood scores<OEBioisostere_OEBroodScore>.

The OEBroodHitlistOptions class defines the following public methods:

GetBuildOptions and SetBuildOptions
GetGenerateIdea and SetGenerateIdea
GetMaxHits and SetMaxHits

Constructors¶

OEBroodHitlistOptions()
OEBroodHitlistOptions(const OEBroodHitlistOptions &)

Default and copy constructors.

operator=¶

OEBroodHitlistOptions &operator=(const OEBroodHitlistOptions &)

Assignment operator.

GetBuildOptions¶

      OEBroodBuildOptions& GetBuildOptions()
const OEBroodBuildOptions& GetBuildOptions() const

See SetBuildOptions method.

GetGenerateIdea¶

bool GetGenerateIdea() const

See SetGenerateIdea method.

GetMaxHits¶

unsigned GetMaxHits() const

See SetMaxHits method.

SetBuildOptions¶

void SetBuildOptions(const OEBroodBuildOptions&)

Sets options related to building molecule with replaced fragment.

SetGenerateIdea¶

bool SetGenerateIdea(const bool)

Sets if Cluster information should be created on created hitlist. Default: True.

SetMaxHits¶

bool SetMaxHits(const unsigned)

Sets the Number of maximum hits to be generated. Default: 1000.