OEMolPropertyList

class OEMolPropertyList

This class is a container for multiple OEMolPropertyFxn objects.

Constructors

OEMolPropertyList() -> OEMolPropertyList
OEMolPropertyList(arg2: OEMolPropertyList) -> OEMolPropertyList

Default and copy constructors.

Add

Add(arg2: OEMolPropertyFxn) -> None

Adds a copy of the specified property function to the list.

Clear

Clear() -> None

Clears the list of property functions.

CreateCopy

CreateCopy() -> OEMolPropertyList

Returns a copy of this OEMolPropertyList object.

GetProperty

GetProperty(arg2: Union[OEGraphMol,OEQMol], index: int) -> float
GetProperty(arg2: OEMol, index: int) -> float

Returns the property value for the specified molecule, for the function located at the specified index in the list. Method returns a large number (limiting large double in C++) when a value is not found.

GetSize

GetSize() -> int

Returns the current number of OEMolPropertyFxn objects in the list.

HasProperties

HasProperties(arg2: Union[OEGraphMol,OEQMol]) -> bool
HasProperties(arg2: OEMol) -> bool

Checks if the all of the property values exist for the specified molecule. Returns False if at least of the property value does not exist.