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#Translation from EADL index to actual shell (Table VI)
SHELL_LIST = ['K (1s1/2)',
'L (2)',
'L1 (2s1/2)',
'L23 (2p)',
'L2 (2p1/2)',
'L3 (2p3/2)',
'M (3)',
'M1 (3s1/2)',
'M23 (3p)',
'M2 (3p1/2)',
'M3 (3p3/2)',
'M45 (3d)',
'M4 (3d3/2)',
'M5 (3d5/2)',
'N (4)',
'N1 (4s1/2)',
'N23 (4p)',
'N2 (4p1/2)',
'N3 (4p3/2)',
'N45 (4d)',
'N4 (4d3/2)',
'N5 (4d5/2)',
'N67 (4f)',
'N6 (4f5/2)',
'N7 (4f7/2)',
'O (5)',
'O1 (5s1/2)',
'O23 (5p)',
'O2 (5p1/2)',
'O3 (5p3/2)',
'O45 (5d)',
'O4 (5d3/2)',
'O5 (5d5/2)',
'O67 (5f)',
'O6 (5f5/2)',
'O7 (5f7/2)',
'O89 (5g)',
'O8 (5g7/2)',
'O9 (5g9/2)',
'P (6)',
'P1 (6s1/2)',
'P23 (6p)',
'P2 (6p1/2)',
'P3 (6p3/2)',
'P45 (6d)',
'P4 (6d3/2)',
'P5 (6d5/2)',
'P67 (6f)',
'P6 (6f5/2)',
'P7 (6f7/2)',
'P89 (6g)',
'P8 (6g7/2)',
'P9 (6g9/2)',
'P1011 (6h)',
'P10 (6h9/2)',
'P11 (6h11/2)',
'Q (7)',
'Q1 (7s1/2)',
'Q23 (7p)',
'Q2 (7p1/2)',
'Q3 (7p3/2)']
def getSubshellFromValue(value):
idx = int(value) - 1
if idx < 0:
raise IndexError("Invalid EADL Atomic Subshell Designator")
return SHELL_LIST[idx]
def getValueFromSubshell(subshell):
"""
Returns the float value associated to the respective shell or subshell
"""
if subshell.startswith('K'):
return 1.0
#cleanup subshell
wshell = subshell.replace(" ","")
wshell = wshell.split("(")[0]
wshell = wshell.upper()
#test
i = 0
for shell in SHELL_LIST:
i += 1
if wshell == shell.split(" ")[0]:
return float(i)
raise ValueError("Invalid shell name %s" % subshell)
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