# encoding: utf-8
""" Van der Waals radii in [A] taken from
http://www.webelements.com/periodicity/van_der_waals_radius/
and the references given there.
Additional source 5 from http://de.wikipedia.org/wiki/Van-der-Waals-Radius

1. A. Bondi, J. Phys. Chem., 1964, 68, 441.

2. L. Pauling, The Nature of the Chemical Bond,
   Cornell University Press, USA, 1945.

3. J.E. Huheey, E.A. Keiter, and R.L. Keiter in Inorganic Chemistry
   Principles of Structure and Reactivity, 4th edition, HarperCollins,
   New York, USA, 1993.W.W. Porterfield in Inorganic chemistry,
   a unified approach, Addison Wesley Publishing Co.,
   Reading Massachusetts, USA, 1984.

4. A.M. James and M.P. Lord in Macmillan's Chemical and Physical Data,
   Macmillan, London, UK, 1992.

5. Manjeera Mantina, Adam C. Chamberlin, Rosendo Valero,
   Christopher J. Cramer, Donald G. Truhlar Consistent van der Waals Radii
   for the Whole Main Group. In J. Phys. Chem. A. 2009, 113, 5806–5812,
   doi:10.1021/jp8111556

"""

import numpy as np

vdw_radii = np.array([
    np.nan,  # X
    1.20,  # H
    1.40,  # He [1]
    1.82,  # Li [1]
    1.53,  # Be [5]
    1.92,  # B [5]
    1.70,  # C [1]
    1.55,  # N [1]
    1.52,  # O [1]
    1.47,  # F [1]
    1.54,  # Ne [1]
    2.27,  # Na [1]
    1.73,  # Mg [1]
    1.84,  # Al [5]
    2.10,  # Si [1]
    1.80,  # P [1]
    1.80,  # S [1]
    1.75,  # Cl [1]
    1.88,  # Ar [1]
    2.75,  # K [1]
    2.31,  # Ca [5]
    np.nan,  # Sc
    np.nan,  # Ti
    np.nan,  # V
    np.nan,  # Cr
    np.nan,  # Mn
    np.nan,  # Fe
    np.nan,  # Co
    1.63,  # Ni [1]
    1.40,  # Cu [1]
    1.39,  # Zn [1]
    1.87,  # Ga [1]
    2.11,  # Ge [5]
    1.85,  # As [1]
    1.90,  # Se [1]
    1.85,  # Br [1]
    2.02,  # Kr [1]
    3.03,  # Rb [5]
    2.49,  # Sr [5]
    np.nan,  # Y
    np.nan,  # Zr
    np.nan,  # Nb
    np.nan,  # Mo
    np.nan,  # Tc
    np.nan,  # Ru
    np.nan,  # Rh
    1.63,  # Pd [1]
    1.72,  # Ag [1]
    1.58,  # Cd [1]
    1.93,  # In [1]
    2.17,  # Sn [1]
    2.06,  # Sb [5]
    2.06,  # Te [1]
    1.98,  # I [1]
    2.16,  # Xe [1]
    3.43,  # Cs [5]
    2.49,  # Ba [5]
    np.nan,  # La
    np.nan,  # Ce
    np.nan,  # Pr
    np.nan,  # Nd
    np.nan,  # Pm
    np.nan,  # Sm
    np.nan,  # Eu
    np.nan,  # Gd
    np.nan,  # Tb
    np.nan,  # Dy
    np.nan,  # Ho
    np.nan,  # Er
    np.nan,  # Tm
    np.nan,  # Yb
    np.nan,  # Lu
    np.nan,  # Hf
    np.nan,  # Ta
    np.nan,  # W
    np.nan,  # Re
    np.nan,  # Os
    np.nan,  # Ir
    1.75,  # Pt [1]
    1.66,  # Au [1]
    1.55,  # Hg [1]
    1.96,  # Tl [1]
    2.02,  # Pb [1]
    2.07,  # Bi [5]
    1.97,  # Po [5]
    2.02,  # At [5]
    2.20,  # Rn [5]
    3.48,  # Fr [5]
    2.83,  # Ra [5]
    np.nan,  # Ac
    np.nan,  # Th
    np.nan,  # Pa
    1.86,  # U [1]
    np.nan,  # Np
    np.nan,  # Pu
    np.nan,  # Am
    np.nan,  # Cm
    np.nan,  # Bk
    np.nan,  # Cf
    np.nan,  # Es
    np.nan,  # Fm
    np.nan,  # Md
    np.nan,  # No
    np.nan])  # Lr
vdw_radii.flags.writeable = False
