OEDockOptions

class OEDockOptions

This class provides an interface to setup options required for docking with OEDock.

The OEDockOptions class defines the following public methods:

Constructor

OEDockOptions();
OEDockOptions(const OEDockOptions &)

Default and copy constructors.

operator=

OEDockOptions &operator=(const OEDockOptions &)

GetResolution

unsigned GetResolution() const

See SetResolution method.

GetScoreMethod

unsigned GetScoreMethod() const

See SetScoreMethod method.

SetResolution

bool SetResolution(const unsigned)

Sets the search resolution for docking. Allowed resolutions are defined in the OESearchResolution namespace. Default is OESearchResolution::Standard.

SetScoreMethod

bool SetScoreMethod(const unsigned)

Sets the scoring method for docking. Allowed methods are defined in the OEDockMethod namespace. Default is OEDockMethod::Chemgauss4.