OEMolParameter

Attention

PRELIMINARY-IMAGE This is a preliminary API until Spring 2021 and may be improved based on user feedback. It is currently available in C++ and Python.

class OEMolParameter : public OESystem::OEPointerParameter<OEMolBase>

The OEMolParameter represents parameter that has value of OEMolBase type.

Following methods are publicly inherited from OEParameter:
The OEMolParameter class defines the following public methods:

Constructors

OEMolParameter()
OEMolParameter(const std::string& name)
OEMolParameter(const OEMolParameter&)

Default and copy constructors.

Constructs an OEMolParameter instance using the specified set of parameters.

operator=

OEMolParameter &operator=(const OEMolParameter &)

The assignment operator.

GetSetting

const OEChem::OEMolBase& GetSetting() const

Returns the current setting of the parameter.

GetValue

const OEChem::OEMolBase& GetValue() const

Returns the current user-defined value of the parameter.

SetValue

bool SetValue(OEChem::oemolistream& fstream)
bool SetValue(const OEChem::OEMolBase& mol)

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