OECartesianStarts
class OECartesianStarts : public OEInertialStarts
The OECartesianStarts represents the user defined cartesian starts for overlay optimization. The OECartesianStarts translates the fit molecule to the specified starting points, followed by the inertial rotations to generate starts.
- The following methods are publicly inherited from OEStarts:
- The following methods are publicly inherited from OEInertialStarts:
- The OECartesianStarts class defines the following public methods:
Constructors
OECartesianStarts() -> OECartesianStarts
OECartesianStarts(arg2: OECartesianStarts) -> OECartesianStarts
Default and copy constructors.
ClearStartPoints
ClearStartPoints() -> None
Clears the currently specified cartesian start points.
GetNumStartPoints
GetNumStartPoints() -> int
Get the number of specified cartesian start points.
GetStartPoints
GetStartPoints(argPoints: OEDoubleArray) -> bool
Get the specified cartesian start points. Method expects an array of size
3*NumPoints for the argument, where NumPoints can be obtained by calling
GetNumStartPoints.
SetStartPoints
SetStartPoints(argPoints: OEDoubleArray, argNumPoints: int) -> None
Sets the cartesian starting points. Method expects an array of size 3*NumPoints for the first argument.