OEComplexFFParameter

Attention

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

class OEComplexFFParameter : public OESystem::OEMultiParameter<OEMolPotential::OEForceField>

The OEComplexFFParameter represents parameter that has a value of type OEComplexFF.

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 andw 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:

• AddLegalEntry

• GetDefault and SetDefault

• GetSetting

• GetValue and SetValue

Constructors

OEComplexFFParameter()
OEComplexFFParameter(const std::string& name, const bool customAllowed)
OEComplexFFParameter(const OEComplexFFParameter&)

Default and copy constructors.

Constructs an OEComplexFFParameter instance using the specified set of parameters. The second argument in the second constructor represents if a custom forcefield can be used.

operator=

OEComplexFFParameter &operator=(const OEComplexFFParameter &)

The assignment operator.