# A* -------------------------------------------------------------------
# B* This file contains source code for the PyMOL computer program
# C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
# D* -------------------------------------------------------------------
# E* It is unlawful to modify or remove this copyright notice.
# F* -------------------------------------------------------------------
# G* Please see the accompanying LICENSE file for further information.
# H* -------------------------------------------------------------------
# I* Additional authors of this source file include:
# -*
# -*
# -*
# Z* -------------------------------------------------------------------

# bond lengths and other information useful for simply building atoms
#
#

length = {
    ('C3', 'H1'): 1.0900,
    ('C2', 'H1'): 1.0800,
    ('C1', 'H1'): 1.0560,
    ('H1', 'S1'): 1.3360,
    ('H3', 'NA'): 1.5999,
    ('H2', 'O3'): 0.9600,
    ('H3', 'N2'): 1.0100,
    ('H3', 'N3'): 1.0100,
    ('H4', 'N4'): 1.0100,
    ('H4', 'N5'): 1.0100,
    ('CA', 'CD'): 1.6999,
    ('00', 'Du'): 0.5000,
    ('00', 'Du'): 3.0000,
    ('Br', 'C1'): 1.7900,
    ('Br', 'C2'): 1.8900,
    ('Br', 'C3'): 1.9490,
    ('Br', 'OM'): 1.5000,
    ('Br', 'O2'): 1.5000,
    ('C1', 'C1'): 1.2060,
    ('C1', 'N1'): 1.1640,
    ('C1', 'C2'): 1.4000,
    ('C1', 'C3'): 1.4450,
    ('C1', 'Cl'): 1.6400,
    ('C1', 'F0'): 1.2700,
    ('C1', 'I0'): 1.9900,
    ('C1', 'O3'): 1.3300,
    ('C1', 'OA'): 1.3300,
    ('C1', 'C1'): 1.3000,
    ('C1', 'C2'): 1.3130,
    ('C1', 'O2'): 1.1610,
    ('C1', 'S1'): 1.5600,
    ('C2', 'N2'): 1.3800,
    ('C2', 'N4'): 1.3500,
    ('C2', 'C2'): 1.4630,
    ('C2', 'C3'): 1.5220,
    ('C2', 'Cl'): 1.7300,
    ('C2', 'F0'): 1.3330,
    ('C2', 'I0'): 2.1000,
    ('C2', 'N2'): 1.4200,
    ('C2', 'O3'): 1.3640,
    ('C2', 'OA'): 1.3640,
    ('C2', 'OM'): 1.2200,
    ('C2', 'S1'): 1.7200,
    ('C2', 'SM'): 1.7500,
    ('C2', 'Si'): 1.8650,
    ('C2', 'C2'): 1.3370,
    ('C2', 'N2'): 1.2800,
    ('C2', 'O2'): 1.2200,
    ('C2', 'S1'): 1.6000,
    ('C3', 'C2'): 1.5220,
    ('C3', 'C3'): 1.5260,
    ('C3', 'Cl'): 1.7950,
    ('C3', 'F0'): 1.3800,
    ('C3', 'I0'): 2.1490,
    ('C3', 'N2'): 1.4490,
    ('C3', 'N3'): 1.4710,
    ('C3', 'NB'): 1.4710,
    ('C3', 'N4'): 1.4490,
    ('C3', 'N5'): 1.4710,
    ('C3', 'O3'): 1.4100,
    ('C3', 'OA'): 1.4100,
    ('C3', 'OM'): 1.4100,
    ('C3', 'SA'): 1.8100,
    ('C3', 'S1'): 1.8100,
    ('C3', 'SM'): 1.8340,
    ('C3', 'Si'): 1.8800,
    ('Cl', 'OM'): 1.4200,
    ('Cl', 'O2'): 1.4200,
    ('F0', 'N3'): 1.4200,
    ('F0', 'P0'): 1.5600,
    ('I0', 'OM'): 1.6500,
    ('I0', 'O2'): 1.6500,
    ('Lp', 'N3'): 0.8000,
    ('Lp', 'S1'): 0.6790,
    ('Lp', 'O3'): 0.6000,
    ('N2', 'N2'): 1.2700,
    ('N2', 'N3'): 1.3000,
    ('N2', 'O3'): 1.4000,
    ('N2', 'P0'): 1.7400,
    ('N2', 'Z0'): 2.0500,
    ('N3', 'N3'): 1.3810,
    ('N3', 'O3'): 1.4800,
    ('N4', 'OM'): 1.2000,
    ('N4', 'O2'): 1.2000,
    ('O2', 'O2'): 1.2070,
    ('O2', 'P0'): 1.4800,
    ('O2', 'S1'): 1.4800,
    ('O3', 'P0'): 1.6100,
    ('O3', 'S1'): 1.3460,
    ('O3', 'Si'): 1.6450,
    ('OM', 'P0'): 1.4800,
    ('OM', 'S1'): 1.4500,
    ('S1', 'S1'): 2.0380,
    ('00', 'H0'): 1.1000,
    ('00', 'OA'): 1.4100,
    ('00', 'NB'): 1.4100,
    ('00', 'SA'): 1.8100,
    ('Ge', '00'): 2.1000,
    ('00', '00'): 1.5000,
}

for a in list(length.keys()):
    length[(a[1], a[0])] = length[a]

# below are inmcomplete (as is the underlying implementation, hehe )

nonlinear = {

    'O3': 1,
    'OH': 1,
    'OW': 1,
    'O0': 1,
    'S1': 1,
    'S0': 1,
    '': 1,
    '': 1,
    '': 1,
    '': 1,
}

tetrahedral = {
    'C3': 1,
    'C0': 1,
    'OQ': 1,
    'N3': 1,
    'N5': 1,
    'N0': 1,
    'P0': 1,
    'B3': 1,
    'Si': 1,
}

planer = {
    'C2': 1,
    'CP': 1,
    'CM': 1,  # ?
    'CR': 1,  # ?
    'O2': 1,
    'OM': 1,
    'OP': 1,
    'N2': 1,
    'N4': 1,
    'B2': 1,
    '': 1,
    '': 1,
    '': 1,


    'O2': 1,
}