def test_bad(self):
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByName("jwjfpfj")
with self.assertRaises(TypeError):
xraylib.GetCompoundDataNISTByName(0)
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByName(None)
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByIndex(-1)
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByIndex(180)
with self.assertRaises(TypeError):
xraylib.GetCompoundDataNISTByIndex(None)
with self.assertRaises(TypeError):
xraylib.GetCompoundDataNISTByIndex("jpwjfpfwj")
def nistcp_select(self):
if self.nist_cb.currentIndex() > 0:
self.el_cb.setCurrentIndex(0)
self.cp_le.setText("")
if self.name == "bet": self.chkbox_luxelht.setChecked(False)
self.mat = xrl.GetCompoundDataNISTByIndex(
self.nist_cb.currentIndex() - 1)
self.apply_mat_thickness()
self.mat_dens_le.setText(str(self.mat['density']))
self.apply_mat_density()
else:
self.mat = {}
def test_good(self):
list = xraylib.GetCompoundDataNISTList()
self.assertEqual(len(list), 180)
for i, v in enumerate(list):
cdn = xraylib.GetCompoundDataNISTByIndex(i)
self.assertEqual(cdn['name'], v)
cdn = xraylib.GetCompoundDataNISTByName(v)
self.assertEqual(cdn['name'], v)
cdn = xraylib.GetCompoundDataNISTByIndex(5)
self.assertEqual(cdn['nElements'], 4)
self.assertEqual(cdn['density'], 0.001205)
self.assertEqual(cdn['Elements'], [6, 7, 8, 18])
self.assertAlmostEqual(cdn['massFractions'],
[0.000124, 0.755267, 0.231781, 0.012827])
self.assertEqual(cdn['name'], 'Air, Dry (near sea level)')
cdn = xraylib.GetCompoundDataNISTByName('Air, Dry (near sea level)')
self.assertEqual(cdn['nElements'], 4)
self.assertEqual(cdn['density'], 0.001205)
self.assertEqual(cdn['Elements'], [6, 7, 8, 18])
self.assertAlmostEqual(cdn['massFractions'],
[0.000124, 0.755267, 0.231781, 0.012827])
self.assertEqual(cdn['name'], 'Air, Dry (near sea level)')
def xoppy_calc_xcrosssec(self):
MAT_FLAG = self.MAT_FLAG
MAT_LIST = self.MAT_LIST
DESCRIPTOR = self.DESCRIPTOR
density = self.DENSITY
CALCULATE = self.CALCULATE
GRID = self.GRID
GRIDSTART = self.GRIDSTART
GRIDEND = self.GRIDEND
GRIDN = self.GRIDN
UNIT = self.UNIT
if MAT_FLAG == 0: # element
descriptor = DESCRIPTOR
density = xraylib.ElementDensity(
xraylib.SymbolToAtomicNumber(DESCRIPTOR))
elif MAT_FLAG == 1: # formula
descriptor = DESCRIPTOR
elif MAT_FLAG == 2:
tmp = xraylib.GetCompoundDataNISTByIndex(MAT_LIST)
descriptor = tmp["name"]
density = tmp["density"]
print("xoppy_calc_xcrosssec: using density = %g g/cm3" % density)
if GRID == 0:
energy = numpy.arange(0, 500)
elefactor = numpy.log10(10000.0 / 30.0) / 300.0
energy = 10.0 * 10**(energy * elefactor)
elif GRID == 1:
if GRIDN == 1:
energy = numpy.array([GRIDSTART])
else:
energy = numpy.linspace(GRIDSTART, GRIDEND, GRIDN)
elif GRID == 2:
energy = numpy.array([GRIDSTART])
if MAT_FLAG == 0: # element
out = cross_calc(descriptor,
energy,
calculate=CALCULATE,
density=density)
elif MAT_FLAG == 1: # compound parse
out = cross_calc_mix(descriptor,
energy,
calculate=CALCULATE,
density=density,
parse_or_nist=0)
elif MAT_FLAG == 2: # NIST compound
out = cross_calc_mix(descriptor,
energy,
calculate=CALCULATE,
density=density,
parse_or_nist=1)
calculate_items = [
'Total', 'PhotoElectric', 'Rayleigh', 'Compton',
'Total minus Rayleigh'
]
unit_items = ['barn/atom', 'cm^2', 'cm^2/g', 'cm^-1']
if energy.size > 1:
tmp_x = out[0, :].copy()
tmp_y = out[UNIT + 1, :].copy()
tmp = numpy.vstack((tmp_x, tmp_y))
labels = [
"Photon energy [eV]",
"%s cross section [%s]" %
(calculate_items[CALCULATE], unit_items[UNIT])
]
to_return = {
"application": "xoppy",
"name": "xcrosssec",
"data": tmp,
"labels": labels
}
else:
tmp = None
txt = "xoppy_calc_xcrosssec: Calculated %s cross section: %g %s" % (
calculate_items[CALCULATE], out[UNIT + 1, 0], unit_items[UNIT])
print(txt)
to_return = {
"application": "xoppy",
"name": "xcrosssec",
"info": txt
}
if self.DUMP_TO_FILE:
with open(self.FILE_NAME, "w") as file:
try:
file.write("#F %s\n" % self.FILE_NAME)
file.write("\n#S 1 xoppy CrossSec results\n")
file.write("#N 5\n")
tmp = "#L Photon energy [eV]"
for unit_item in unit_items:
tmp += " %s [%s]" % (calculate_items[CALCULATE],
unit_item)
tmp += "\n"
file.write(tmp)
for j in range(out.shape[1]):
# file.write("%19.12e "%energy[j])
file.write(
("%19.12e " * out.shape[0] + "\n") %
tuple(out[i, j] for i in range(out.shape[0])))
file.close()
print("File written to disk: %s \n" % self.FILE_NAME)
except:
raise Exception(
"CrossSec: The data could not be dumped onto the specified file!\n"
)
return to_return
crystals = xraylib.Crystal_GetCrystalsList()
print("List of available crystals:")
for i in range(len(crystals)):
print(" Crystal {}: {}".format(i, crystals[i]))
print("")
cdn = xraylib.GetCompoundDataNISTByName("Uranium Monocarbide")
print("Uranium Monocarbide")
print(" Name: {}".format(cdn['name']))
print(" Density: {}".format(cdn['density']))
for i in range(cdn['nElements']):
print(" Element {}: {} %%".format(cdn['Elements'][i],
cdn['massFractions'][i] * 100.0))
cdn = xraylib.GetCompoundDataNISTByIndex(xraylib.NIST_COMPOUND_BRAIN_ICRP)
print("NIST_COMPOUND_BRAIN_ICRP")
print(" Name: {}".format(cdn['name']))
print(" Density: {}".format(cdn['density']))
for i in range(cdn['nElements']):
print(" Element {}: {} %%".format(cdn['Elements'][i],
cdn['massFractions'][i] * 100.0))
nistCompounds = xraylib.GetCompoundDataNISTList()
print("List of available NIST compounds:")
for i in range(len(nistCompounds)):
print(" Compound {}: {}".format(i, nistCompounds[i]))
print("")
# radioNuclideData tests
from flask import Blueprint, render_template, request
import xraylib
from xray_app.methods.forms import Xraylib_Request, Request_Error, Request_Units
from xray_app.methods.utils import validate_int, validate_float, validate_str, code_example, make_tup, calc_output, all_trans, all_trans_xrf
methods = Blueprint('methods', __name__)
#------------------------------------------------------------------------------------------------------------
# Generates dicts and tuples to populate wtforms choices
nist_dict = {
xraylib.GetCompoundDataNISTByIndex(int(v))['name']: v
for k, v in xraylib.__dict__.items() if k.startswith('NIST')
}
rad_dict = {
xraylib.GetRadioNuclideDataByIndex(int(v))['name']: v
for k, v in xraylib.__dict__.items() if k.startswith('RADIO')
}
shell_dict = {k: v for k, v in xraylib.__dict__.items() if k.endswith('SHELL')}
trans_dict = {k: v for k, v in xraylib.__dict__.items() if k.endswith('_LINE')}
cs_dict = {
k: v
for k, v in xraylib.__dict__.items()
if k.startswith('CS_') and not k.endswith('CP')
}
dcs_dict = {
k: v
for k, v in xraylib.__dict__.items()
if k.startswith('DCS_') and not k.endswith('CP')
or k.startswith('DCSP_') and not k.endswith('CP')