def __init__(self, name=None, line=None, volt=None, opt=None):
if all_or_none(name, line, opt):
name, line, z, volt, opt = self.user_input(volt)
# volt can be specified if the others are not
# Atomic Symbol
self.name = name
# Atomic Number
self.z = at_els.index(name.capitalize()) + 1
# X-Ray emmision line
self.line = line
# Accelerating voltage used for this element
self.volt = volt
# Options for analysis((S)toic, (C)omp, (D)iff, (E)lem)
self.opt = opt
self.setup_vars()
# Setup Unknowns/initial values (Place holders)
# Working Concentration (Maybe Kratio and weight fraction)
self.c1 = 1
# Log previous c values (clog[0]-values, clog[1]-setby)
self.clog = [[1, 'init']]
# Start all elements with valence of -1
self.valence = -1
def get_rjump(self, z=None, shell=None):
if all_or_none(z, shell):
z = self.z
shell = self.shell
rjump = {'K': get_data(z, 'rjump1'),
'L1': 1.17,
'L2': 1.39,
'L3': get_data(z, 'rjump4'),
'M1': 1.16,
'M2': 1.207,
'M3': 1.158,
'M4': 1.895,
'M5': 1.895,
'N': 2.0}
return rjump[shell]
def get_omega(self, z=None, shell=None):
"""Fluorescence Yields"""
if all_or_none(z, shell):
z = self.z
shell = self.shell
omega = 0.0
if shell == 'K': # Bambynek etal., Rev. Mod. Physics. 1972 pg 757
# Could updat to Bambynek 1984
d = (0.015 + 0.0327*z - 0.64e-6*z**3)**4
omega = d/(1.0 + d)
elif shell == 'M4' or shell == 'M5': # ???? REF??
omega = 0.68e-9*(z - 13)**4
elif shell == 'N1': # ??? Ref??
omega = 1.0e-9*(z - 13)**4
elif shell == 'M2' or shell == 'M3' or shell[0] == 'N': # 5
omega = 0.0
else: # Krause, J. Phys. Chem. Ref. Data Vol. 8, No. 2, 1979, p. 307.
if shell == 'M1':
shell = 'L3'
shell = shell.lower()
omega = get_data(z, shell)
return omega