OEBox
class OEBox : public OEBoxBase
OEBox class represents a box aligned to the x, y and z coordinate axis.
This class is an implementation of the OEBoxBase class.
The following free functions can take OEBox objects by virtue of their inheritance from OEBoxBase.
Constructors
OEBox() -> OEBox
Default constructor. All xyz min and max values are set to 0.
OEBox(x1: float, y1: float, z1: float, x2: float, y2: float,
z2: float) -> OEBox
Constructor that sets up the box. The max and min X values will be set to the max and min of x1, x2 respectively. Minimum and maximum values of Y and Z are selected in an analogous fashion.
OEBox(mol: Union[OEGraphMol,OEQMol], addbox: float = 0.0) -> OEBox
Constructs a box around the given molecule. The maximum and minimum x, y and z values are set to the maximum and minimum values x, y and z coordinates of any atom of the molecule.
If addbox is specified then each edge of the box is extended by addbox.
OEBox(mol: OEMol, addbox: float = 0.0) -> OEBox
Constructs a box around the given molecule. The maximum and minimum x, y and z values are set to the maximum and minimum values x, y and z coordinates of any atom of any pose of the molecule.
If addbox is specified then each edge of the box is extended by addbox.
OEBox(arg2: OEBox) -> OEBox
Copy constructor.
OEBox(box: OEBoxBase) -> OEBox