rgmol.atom

class objects.atom(name_or_atomic_number, pos, properties={}, **kwargs)

Constructs atom object from its name or atomic number and positions. Properties can also be added in a properties dictionnary. If not specified, a color and a radius will be automatically attributed for the atom depending on its atomic number.

Attributes:

• atomic_number (int) – The atomic number of the atom

• name (str) – The name of the atom

• pos (list) – The position of the atom

• nickname (str) – The nickname of the atom

• color (list) – The color of the atom used in the representations

• properties (list) – The list of the properties of the atom

Parameters:

• name_or_atomic_number (int or str) – The atomic number or the name of the element

• pos (list) – The position of the atom

• properties (dict, optional) – The properties of the atom, if the radius is not provided, it will be taken from an already defined dictionnary.

• **kwargs –

  nicknamestr

  The nickname of the atom

  colorlist

  The color of the atom. If not provided, an already defined color will be used.

Returns:

atoms (atom) – The atom object.