Periodic Table ============== Full access to the periodic table is also available within QCElemental. This includes mass, atomic number, symbol, and name information. Data is indexed many ways so that many possible aliases can lead to a single quantity. For example, to obtain the mass (in a.m.u) of of Carbon atomic number, symbol, isotope symbol, and name can all be passed: .. code-block:: python >>> qcel.periodictable.to_mass(6) 12.0 >>> qcel.periodictable.to_mass("C") 12.0 >>> qcel.periodictable.to_mass("C12") 12.0 >>> qcel.periodictable.to_mass("Carbon") 12.0 A variety of infomation can be accessed in this manner. Taking 'Carbon' as an example for mass information: .. code-block:: python >>> qcel.periodictable.to_mass("Carbon") 12.0 >>> qcel.periodictable.to_mass_number("Carbon") 12 >>> qcel.periodictable.to_atomic_number("Carbon") 6 Symbol information: .. code-block:: python >>> qcel.periodictable.to_symbol("Carbon") 'C' >>> qcel.periodictable.to_name("Carbon") 'Carbon' Table position information: >>> qcel.periodictable.to_period("Carbon") 2 >>> qcel.periodictable.to_group("Carbon") 14 API --- .. currentmodule:: qcelemental.periodictable Top level user functions: .. autosummary:: to_mass to_mass_number to_atomic_number to_symbol to_name to_period to_group Function Definitions -------------------- .. autofunction:: to_mass :noindex: .. autofunction:: to_mass_number :noindex: .. autofunction:: to_atomic_number :noindex: .. autofunction:: to_symbol :noindex: .. autofunction:: to_name :noindex: .. autofunction:: to_period :noindex: .. autofunction:: to_group :noindex: