OEShapeQueryBase

class OEShapeQueryBase : public OEBase

The OEShapeQueryBase is an abstract base class. This class defines an interface for creating a shape query, usuful for defining a reference system for shape/color ovderlap calculations.

The following methods are publicly inherited from OEBase:
The OEShapeQueryBase class defines the following public methods:
The following classes derive from this class:

GetColorForceField

const OEColorForceField* GetColorForceField() const

Returns a pointer to the color force field associated with this query.

GetColorGaussians

OESystem::OEIterBase<const OESystem::OEGaussianBase>* GetColorGaussians() const

Returns an iterator over the color gaussians currently contained in this query.

GetMolecule

const OEChem::OEMolBase& GetMolecule() const

Returns the molecule currently contained in this query.

GetShapeGaussians

OESystem::OEIterBase<const OESystem::OEGaussianBase>* GetShapeGaussians() const

Returns an iterator over the shape gaussians currently contained in this query.

GetShapeGrid

const OESystem::OEScalarGrid& GetShapeGrid() const

Returns the shape grid currently contained in this query.

GetTitle

const char *GetTitle() const

Returns the title of the query.

HasColor

bool HasColor() const

Returns True is the query currently contains any color atoms or color gaussians.

HasMolecule

bool HasMolecule() const

Returns True is the query currently contains any molecule.

HasShape

bool HasShape() const

Returns True is the query currently contains any molecule, shape grid, or shape gaussians.

HasShapeGrid

bool HasShapeGrid() const

Returns True is the query currently contains any shape grid.

IsEmpty

bool IsEmpty() const

Returns True is the query currently contains no shape or color.

SetTitle

bool SetTitle(const char *)
bool SetTitle(const std::string&)

Sets the title of the query.