def test_atomic_data():
assert atomic_number('zn') == 30
assert atomic_symbol(26) == 'Fe'
assert atomic_mass(45) > 102.8
assert atomic_mass(45) < 103.0
assert atomic_density(29) == atomic_density('cu')
assert atomic_density(22) > 4.51
def element(elem=None):
edges = atomic = lines = {}
if elem is not None:
atomic = {
'n': xraydb.atomic_number(elem),
'mass': xraydb.atomic_mass(elem),
'density': xraydb.atomic_density(elem)
}
_edges = xraydb.xray_edges(elem)
_lines = xraydb.xray_lines(elem)
lines = OrderedDict()
for k in sorted(_lines.keys()):
en, inten, init, final = _lines[k] # XrayLine
lines[k] = XrayLine(energy=f'{en:.1f}',
intensity=f'{inten:.5f}',
initial_level=init,
final_level=final)
edges = OrderedDict()
for k in sorted(_edges.keys()):
en, fy, jump = _edges[k] # XrayEdge
edges[k] = XrayEdge(energy=f'{en:.1f}',
fyield=f'{fy:.5f}',
jump_ratio=f'{jump:.3f}')
return render_template('elements.html',
edges=edges,
elem=elem,
atomic=atomic,
lines=lines,
materials_dict=materials_dict)
def darwinwidth(elem=None):
edges = atomic = lines = {}
if elem is not None:
edges= xraydb.xray_edges(elem)
atomic= {'n': xraydb.atomic_number(elem),
'mass': xraydb.atomic_mass(elem),
'density': xraydb.atomic_density(elem)}
lines= xraydb.xray_lines(elem)
return render_template('darwinwidth.html', edges=edges, elem=elem,
atomic=atomic, lines=lines, materials_dict=materials_dict)
def get_att_len(energy, material=None, density=None):
"""
Get the attenuation length (in meter) of a material.
The X-ray beam intensity I(x) at depth x in a material is a function of the
attenuation coefficient mu, and can be calculated by the Beer-Lambert law.
The Absorption Length (or Attenuation Length) is defined as the distance
into a material where the x-ray beam intensity has decreased to a value of
1/e (~ 40%) of the incident beam intensity (Io).
(1/e) = e^(-mu * x)
ln(1/e) = ln(e^(-mu * x))
1 = mu * x
x = 1/mu
Parameters
----------
energy : number
Beam Energy given in KeV
material : str, optional
Atomic symbol for element, defaults to 'Be'
density : float, optional
Material density in g/cm^3
Returns
-------
att_len : float
Attenuation length (in meters)
Raises
------
ValueError
If an invalid symbol is provided for material.
Examples
--------
>>> get_att_len(energy=8, material='Be')
0.004810113254120656
"""
material = material or MATERIAL
density = density or xdb.atomic_density(material)
try:
# xdb.material_my returns absorption length in 1/cm and takes energy
# or array of energies in eV.
att_len = 1.0 / (xdb.material_mu(material, energy * 1.0e3,
density=density)) * 1.0e-2
except Exception as ex:
logger.error('Get Attenuation Length error: %s', ex)
raise ex
return att_len
def get_delta(energy, material=None, density=None):
"""
Calculate delta for a given material at a given energy.
Anomalous components of the index of refraction for a material, using the
tabulated scattering components from Chantler.
Parameters
----------
energy : number
x-ray energy in KeV
material : str, optional
Atomic symbol for element, defaults to 'Be'.
density : float, optional
Material density in g/cm^3
Returns
-------
delta : float
Real part of index of refraction
Raises
------
ValueError
If an invalid symbol is provided for material.
ZeroDivisionError
When energy is 0.
Examples
--------
>>> get_delta(energy=8, material='Au')
4.728879989419882e-05
"""
material = material or MATERIAL
# xray_delta_beta returns (delta, beta, atlen), wehre delta : real part of
# index of refraction, and takes x-ray energy in eV.
if density is None:
density = xdb.atomic_density(material)
try:
delta = xdb.xray_delta_beta(material,
density=density,
energy=energy * 1.0e3)[0]
except Exception as ex:
logger.error('Get Delta error: %s', ex)
raise ex
return delta
def element(elem=None):
edges = atomic = lines = {}
if elem is not None:
atomic= {'n': xraydb.atomic_number(elem),
'mass': xraydb.atomic_mass(elem),
'density': xraydb.atomic_density(elem)}
_edges= xraydb.xray_edges(elem)
_lines= xraydb.xray_lines(elem)
lines = OrderedDict()
for k in sorted(_lines.keys()):
lines[k] = _lines[k]
edges = OrderedDict()
for k in sorted(_edges.keys()):
edges[k] = _edges[k]
return render_template('elements.html', edges=edges, elem=elem,
atomic=atomic, lines=lines, materials_dict=materials_dict)