Class Scine::Utils::Atom

class Atom

A basic atom in the chemical sense.

Public Functions

Atom(ElementType e = ElementType::none, Position p = Position(0, , ))

Construct a new Atom:: Atom object.

Parameters

  • e: The ElementType. [Default: None]

  • p: The Position. [Default: (0.0,0.0,0.0)]

ElementType getElementType() const

Getter for the ElementType.

Return

ElementType Returns the type of the atom.

const Position &getPosition() const

Getter for the Position.

Return

const Position& Returns the Position of the atom.

void setElementType(ElementType e)

Setter for the ElementType.

Parameters

  • e: The ElementType.

void setPosition(Position pos)

Setter for the Position.

Parameters