Element

class simtk.openmm.app.element.Element(number, name, symbol, mass)

An Element represents a chemical element.

The simtk.openmm.app.element module contains objects for all the standard chemical elements, such as element.hydrogen or element.carbon. You can also call the static method Element.getBySymbol() to look up the Element with a particular chemical symbol.

Element objects should be considered immutable

__init__(number, name, symbol, mass)

Create a new element

Parameters:

• number (int) – The atomic number of the element
• name (string) – The name of the element
• symbol (string) – The chemical symbol of the element
• mass (float) – The atomic mass of the element

Methods

__init__(number, name, symbol, mass)	Create a new element
getByAtomicNumber(atomic_number)
getByMass(mass)	Get the element whose mass is CLOSEST to the requested mass.
getBySymbol(symbol)	Get the Element with a particular chemical symbol.

Attributes

atomic_number
mass
name
symbol

static getBySymbol(symbol)

Get the Element with a particular chemical symbol.

static getByMass(mass)

Get the element whose mass is CLOSEST to the requested mass. This method should not be used for repartitioned masses

Parameters:mass (float or Quantity) – Mass of the atom to find the element for. Units assumed to be daltons if not specified Returns:The element whose atomic mass is closest to the input mass Return type:Element