OEForceFieldParameter¶
Attention
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 OEForceFieldParameter : public OESystem::OEMultiParameter<OEMolPotential::OEForceField>
The OEForceFieldParameter represents parameter that has a value of type OEForceField.
- 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
- Following methods are publicly inherited from OEMultiParameter:
Constructors¶
OEForceFieldParameter()
OEForceFieldParameter(const std::string& name, const bool customAllowed)
OEForceFieldParameter(const OEForceFieldParameter&)
Default and copy constructors.
Constructs an OEForceFieldParameter instance using the specified set of parameters. The second argument in the second constructor represents if a custom forcefield can be used.