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]
  blankExpr = re.compile(r'\ *\t*\ *')
  periodicData = ...
  nameTable = {}
  numTable = {}
  metalRanges = ["13", "21-32", "39-51", "57-84", "89-103"]
  metalNumList = []
  metalNames = map(lambda x: numTable [x] [0], metalNumList)
  hallKierAlphas = {'H': [0.0, 0.0, 0.0], 'C': [-0.22,-0.13, 0.0...

Imports: re


Variables Details [hide private]

periodicData

Value:
"""
0	X	0.0	0.0	0.0	0	0.000	0  
1	H	0.230	0.330	1.200	1	1.008	1  
2	He	0.930	0.700	1.400	0	4.003	2  
3	Li	0.680	1.230	1.820	1	6.941	1  
4	Be	0.350	0.900	1.700	2	9.012	2  
5	B	0.830	0.820	2.080	3	10.812	3  
6	C	0.680	0.770	1.950	4	12.011	4  
...

hallKierAlphas

Value:
{'H': [0.0, 0.0, 0.0], 'C': [-0.22,-0.13, 0.0], 'N': [-0.29,-0.20,-0.0\
4], 'O': [None,-0.20,-0.04], 'F': [None, None,-0.07], 'P': [None, 0.30\
, 0.43], 'S': [None, 0.22, 0.35], 'Cl': [None, None, 0.29], 'Br': [Non\
e, None, 0.48], 'I': [None, None, 0.73]}