Package rdkit :: Package Chem :: Module PeriodicTable'
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Module PeriodicTable'

source code

periodic table data, **obsolete**

now that the C++ code exposes an interface to the internal PT stuff,
this data is mostly obsolete

Variables [hide private]
  __package__ = 'rdkit.Chem'
  blankExpr = re.compile(r' *\t* *')
  end = 103
  entry = '89-103'
  hallKierAlphas = {'Br': [None, None, 0.48], 'C': [-0.22, -0.13...
  line = ''
  metalNames = ['Al', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', '...
  metalNumList = [13, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31...
  metalRanges = ['13', '21-32', '39-51', '57-84', '89-103']
  nameTable = {'Ac': (89, 227.0, 3, 6, 1.88, 1.88, 1.7), 'Ag': (...
  numTable = {0: ('X', 0.0, 0, 0, 0.0, 0.0, 0.0), 1: ('H', 1.008...
  periodicData = '\n0\tX\t0.0\t0.0\t0.0\t0\t0.000\t0 \n1\tH\t0....
  splitLine = ['']
  start = 89
  t = ['89', '103']

Imports: re


Variables Details [hide private]

hallKierAlphas

Value:
{'Br': [None, None, 0.48],
 'C': [-0.22, -0.13, 0.0],
 'Cl': [None, None, 0.29],
 'F': [None, None, -0.07],
 'H': [0.0, 0.0, 0.0],
 'I': [None, None, 0.73],
 'N': [-0.29, -0.2, -0.04],
 'O': [None, -0.2, -0.04],
...

metalNames

Value:
['Al',
 'Sc',
 'Ti',
 'V',
 'Cr',
 'Mn',
 'Fe',
 'Co',
...

metalNumList

Value:
[13,
 21,
 22,
 23,
 24,
 25,
 26,
 27,
...

nameTable

Value:
{'Ac': (89, 227.0, 3, 6, 1.88, 1.88, 1.7),
 'Ag': (47, 107.868, 11, 6, 1.59, 1.34, 1.72),
 'Al': (13, 26.982, 3, 6, 1.35, 1.18, 2.05),
 'Am': (95, 243.0, 7, 6, 1.51, 1.07, 1.7),
 'Ar': (18, 39.948, 8, 0, 1.57, 1.74, 1.88),
 'As': (33, 74.922, 5, 3, 1.21, 1.2, 1.85),
 'At': (85, 210.0, 7, 1, 1.7, 1.45, 1.7),
 'Au': (79, 196.967, 11, 6, 1.5, 1.34, 1.66),
...

numTable

Value:
{0: ('X', 0.0, 0, 0, 0.0, 0.0, 0.0),
 1: ('H', 1.008, 1, 1, 0.23, 0.33, 1.2),
 2: ('He', 4.003, 2, 0, 0.93, 0.7, 1.4),
 3: ('Li', 6.941, 1, 1, 0.68, 1.23, 1.82),
 4: ('Be', 9.012, 2, 2, 0.35, 0.9, 1.7),
 5: ('B', 10.812, 3, 3, 0.83, 0.82, 2.08),
 6: ('C', 12.011, 4, 4, 0.68, 0.77, 1.95),
 7: ('N', 14.007, 5, 4, 0.68, 0.7, 1.85),
...

periodicData

Value:
'''
0\tX\t0.0\t0.0\t0.0\t0\t0.000\t0  
1\tH\t0.230\t0.330\t1.200\t1\t1.008\t1  
2\tHe\t0.930\t0.700\t1.400\t0\t4.003\t2  
3\tLi\t0.680\t1.230\t1.820\t1\t6.941\t1  
4\tBe\t0.350\t0.900\t1.700\t2\t9.012\t2  
5\tB\t0.830\t0.820\t2.080\t3\t10.812\t3  
6\tC\t0.680\t0.770\t1.950\t4\t12.011\t4  
...