OEReceptorCustomConstraints

class OEReceptorCustomConstraints

OEReceptorCustomConstraints holds a set of custom docking constraint features. Each custom constraint is defined by an OEReceptorConstraintFeature contained by this class.

Constructors

OEReceptorCustomConstraints() -> OEReceptorCustomConstraints
OEReceptorCustomConstraints(arg2: OEReceptorCustomConstraints) -> OEReceptorCustomConstraints

Default and copy constructors.

GetConstraintFeatures

GetConstraintFeatures(const: bool) -> Iterable[OEReceptorConstraintFeature]

Returns an iterator over all features contained by this class, or all enabled features if enabledOnly is true (see OEReceptorConstraintFeature.GetEnabled method).

AddNewFeature

AddNewFeature() -> OEReceptorConstraintFeature

Adds a new OEReceptorConstraintFeature object to this class and returns a pointer to the newly created OEReceptorConstraintFeature. The returned OEReceptorConstraintFeature object is owned by this class, and will be destroyed by the destructor of this class.

DeleteFeature

DeleteFeature(arg2: OEReceptorConstraintFeature) -> bool

Deletes an OEReceptorConstraintFeature owned by this class. Note that after this method is called feature will no longer point to a valid OEReceptorConstraintFeature object.

NumFeatures

NumFeatures(enabledOnly: bool = True) -> int

Returns the number of OEReceptorConstraintFeature objects contained by this class.

If enabledOnly is true then only OEReceptorConstraintFeature objects for which the method OEReceptorConstraintFeature.GetEnabled returns true will be counted.

Clear

Clear() -> bool

Returns this object to its default constructed state, deleting any OEReceptorConstraintFeature objects it may currently be holding.