Custom tables

You can create your own private instance of PeriodicTable and populate it with values.


>>> import periodictable
>>> from periodictable import core, mass, density, elements, formula

>>> mytable = core.PeriodicTable(table="H=1")
>>> mass.init(mytable)
>>> density.init(mytable)

>>> # Reset mass to H=1 rather than C=12
>>> scale = elements.H[1].mass
>>> for el in mytable:
...    el._mass /= scale
...    if hasattr(el,'_density') and el._density is not None:
...        el._density /= scale
...    for iso in el:
...        iso._mass /= scale

>>> print("%.10f %.10f"%(mytable.H[1].mass, mytable.C[12].mass))
1.0000000000 11.9068286833
>>> print("%.10f %.10f"%(periodictable.H[1].mass, periodictable.C[12].mass))
1.0078250321 12.0000000000
>>> print("%.10f"%formula('2H[1]', table=mytable).mass)

You will need to add individual properties by hand for all additional desired properties using module.init(elements).

The table name (H=1 above) must be unique within the session. If you are pickling elements from a custom table, you must create a custom table of the same name before attempting to restore them. The default table is just a custom table with the name public.

Support for custom tables could be made much smoother by delegating all properties not defined in the custom table back to the base table, much like is currently done for Isotopes and Ions. That way you only need to replace the properties of interest rather than defining all new properties.

The alternative to using custom tables is to replace a dataset in the base table using e.g., custom_mass.init(elements, reload = True), where custom_mass is your own version of the periodic table values. Be aware, however, that this will have a global effect, changing the mass used by all packages, so you are strongly discouraged from doing so.