Class Scine::Utils::MethodInitializer

class MethodInitializer

MethodInitializer is an abstract base class for the method initializers.

Date

20.11.2015

Public Functions

void initializeMethod(const Utils::AtomCollection &structure)

Initialize the method from a Utils::AtomCollection.

void initializeMethod(const Utils::PositionCollection &positions, const Utils::ElementTypeCollection &elementTypes)

Initialize the method from Positions and atom types.

void initializeMethod(const Utils::ElementTypeCollection &elementTypes)

Initialize the method from atom types.

Public Static Functions

static void setRootParameterFolder(std::string path)

Set the root folder where the parameters are included. Calling this function will have no impact on existing MethodInitializers.

static std::string getRootParameterFolder()

Get the folder that contains the parameters.

Protected Functions

virtual void initialize(const Utils::PositionCollection &positions, const Utils::ElementTypeCollection &elementTypes) = 0

initialize method to be overwritten (NVI pattern)

virtual void initialize(const Utils::ElementTypeCollection &elementTypes) = 0

initialize method to be overwritten (NVI pattern)

Protected Static Attributes

std::string rootParameterFolder_

Default parameter path.