add_data¶
-
Cartesian.
add_data
(list_of_columns=None, inplace=False)¶ Adds a column with the requested data.
- If you want to see for example the mass, the colormap used in
jmol and the block of the element, just use:
['mass', 'jmol_color', 'block']
- The underlying
pd.DataFrame
can be accessed with constants.elements
.
To see all available keys use
constants.elements.info()
.- The data comes from the module `mendeleev
- <http://mendeleev.readthedocs.org/en/latest/>`_ written by Lukasz Mentel.
Please note that I added three columns to the mendeleev data:
['atomic_radius_cc', 'atomic_radius_gv', 'gv_color', 'valency']
- The
atomic_radius_cc
is used by default by this module - for determining bond lengths.
- The three others are taken from the MOLCAS grid viewer written
- by Valera Veryazov.
Parameters: - list_of_columns (str) – You can pass also just one value.
E.g.
'mass'
is equivalent to['mass']
. Iflist_of_columns
isNone
all available data is returned. - inplace (bool) –
Returns: Return type: