OEMolParameter

class OEMolParameter : public OESystem::OEPointerParameter<OEMolBase>

The OEMolParameter represents parameter that has value of OEMolBase type.

Following methods are publicly inherited from OEParameter:

• AddAlias and GetAliases

• AddDetail and GetDetail

• AddIllegalRange and GetIllegalRanges

• AddIllegalValue and GetIllegalValues

• AddLegalRange and GetLegalRanges

• AddStringDefault , GetStringDefault and GetStringDefaults

• AddStringValue , GetStringValue and GetStringValues

• ClearDefaults

• ClearValues

• CreateCopy

• GetBrief and SetBrief

• GetHasDefault

• GetHasValue

• GetIsList and SetIsList

• GetKeyless and SetKeyless

• GetName and SetName

• GetOrderPriority and SetOrderPriority

• GetVisibility and SetVisibility

• IsLegalString

• IsSet and IsSetToString

The OEMolParameter class defines the following public methods:

• GetSetting

• GetValue

• SetValue

Constructors

OEMolParameter(name: str) -> OEMolParameter
OEMolParameter() -> OEMolParameter
OEMolParameter(arg2: OEMolParameter) -> OEMolParameter

Default and copy constructors.

Constructs an OEMolParameter instance using the specified set of parameters.

GetSetting

GetSetting() -> OEGraphMol

Returns the current setting of the parameter.

GetValue

GetValue() -> OEGraphMol

Returns the current user-defined value of the parameter.

SetValue

SetValue(fstream: oemolistream) -> bool
SetValue(mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool

Sets the user-defined value of the parameter. For the overload with the OEChem::oemolistream, the first molecule is used as the value.