rmgpy.molecule.Element

class rmgpy.molecule.Element(number, symbol, name, mass, isotope=-1, chemkinName=None)

A chemical element. The attributes are:

System Message: ERROR/3 (docstring of rmgpy.molecule.Element, line 12)

Malformed table. Text in column margin in table line 10.

=========== =============== ================================================
Attribute   Type            Description
=========== =============== ================================================
`number`    ``int``         The atomic number of the element
`symbol`    ``str``         The symbol used for the element
`name`      ``str``         The IUPAC name of the element
`mass`      ``float``       The mass of the element in kg/mol
`covRadius` ``float``       Covalent bond radius in Angstrom
`isotope`   ``int``         The isotope integer of the element
`chemkinName` ``str``       The chemkin compatible representation of the element
=========== =============== ================================================

This class is specifically for properties that all atoms of the same element share. Ideally there is only one instance of this class for each element.

chemkinName

chemkinName: str

covRadius

covRadius: ‘float’

isotope

isotope: ‘int’

mass

mass: ‘float’

name

name: str

number

number: ‘int’

symbol

symbol: str

rmgpy.molecule.getElement(value, int isotope=-1) → Element

Return the Element object corresponding to the given parameter value. If an integer is provided, the value is treated as the atomic number. If a string is provided, the value is treated as the symbol. An ElementError is raised if no matching element is found.