OEPocketOptions

Attention

This API is currently available in C++ and Python.

class OEPocketOptions : public OESystem::OEOptions

This class stores the optional parameter sets for pocket finding using OEFindPockets function.

Constructors

OEPocketOptions()
OEPocketOptions(const OEPocketOptions &)

Default and copy constructor that constructs a OEPocketOptions object.

GetMinSurfaceArea

double GetMinSurfaceArea() const

Returns the minimum surface area for a detected pocket surface. [Default: \(150 \, {Angstrom}^2\)]

GetMaxSurfaceArea

double GetMaxSurfaceArea() const

Returns the maximum surface area for a detected pocket surface. [Default: \(3000 \, {Angstrom}^2\)]

GetBurialFactor

double GetBurialFactor() const

Returns the factor used to distinguish pockets from the general surface. [Default: 1.4]

SetMinSurfaceArea

bool SetMinSurfaceArea(const double value)

Sets the minimum surface area for a detected pocket surface.

SetMaxSurfaceArea

bool SetMaxSurfaceArea(const double value)

Sets the maximum surface area for a detected pocket surface.

SetBurialFactor

bool SetBurialFactor(const double value)

Sets the factor used to distinguish pockets from the general surface.

See also