Element¶
- class openmm.app.element.Element(number, name, symbol, mass)¶
An Element represents a chemical element.
The 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