def property_lookup_button_clicked(self):
Z = int(self.tools_z_entry.text())
N = int(self.tools_n_entry.text())
q = int(self.tools_q_entry.text())
# freq = cpt_tools.nuclear_data.
# print( cpt_tools.nuclear_data.half_lives )
mass = cpt_tools.nuclear_data.masses[Z, N]
half_life = cpt_tools.nuclear_data.half_lives[Z, N]
cf_yield = cpt_tools.nuclear_data.cf_yields[Z, N]
abund = cpt_tools.nuclear_data.rel_abundances[Z, N]
if q > 0:
omega = cpt_tools.mass_to_omega(mass, q, 1)
else:
omega = np.nan
self.property_lookup_table.cellWidget(0, 0).setText('%.2f' % omega)
self.property_lookup_table.cellWidget(0, 1).setText('%.2f' % mass)
self.property_lookup_table.cellWidget(0, 2).setText('%.2e' % half_life)
self.property_lookup_table.cellWidget(0, 3).setText('%.2e' % cf_yield)
self.property_lookup_table.cellWidget(0, 4).setText('%.2e' % abund)
def set_ion_params(self, Z, A, Q):
self.Z = Z
self.A = A
self.q = Q
self.N = A - Z
self.ame_mass = cpt_tools.nuclear_data.masses[self.Z, self.N]
self.ame_freq = cpt_tools.mass_to_omega(self.ame_mass,
self.q,
atomic_mass=1)
def set_params_from_ion_data_button_clicked(self):
print('INFO: setting tabor params from ion data...')
Z = int(self.tabor_z_entry.text())
N = int(self.tabor_n_entry.text())
q = int(self.tabor_q_entry.text())
mass = cpt_tools.nuclear_data.masses[Z, N]
omega_c = cpt_tools.mass_to_omega(mass, q, atomic_mass=1)
omega_minus = float(self.tabor_table.cellWidget(0, 0).text())
omega_plus = omega_c - omega_minus
frequencies = [omega_plus, omega_c]
for i in range(1, len(frequencies)):
self.tabor_table.cellWidget(0, i).setText('%.1f' % frequencies[i])
def property_lookup_button_clicked(self):
Z, A, q = self.tools_property_ion_entry.fetch()
N = A - Z
mass = cpt_tools.nuclear_data.masses[Z, N]
half_life = cpt_tools.nuclear_data.half_lives[Z, N]
cf_yield = cpt_tools.nuclear_data.cf_yields[Z, N]
abund = cpt_tools.nuclear_data.rel_abundances[Z, N]
if q > 0:
omega = cpt_tools.mass_to_omega(mass, q, 1)
else:
omega = np.nan
self.property_lookup_table.cellWidget(0, 0).setText('%.2f' % omega)
self.property_lookup_table.cellWidget(0, 1).setText('%.2f' % mass)
self.property_lookup_table.cellWidget(0, 2).setText('%.2e' % half_life)
self.property_lookup_table.cellWidget(0, 3).setText('%.2e' % cf_yield)
self.property_lookup_table.cellWidget(0, 4).setText('%.2e' % abund)
def check_ions(atom_masses, omega, d_omega, half_lives, cf_yields, abundances):
print('ION MATCHES')
print('OMEGA\t NAME\t q\t A\t Z\t N\t T_1/2\t CF_YIELD \tNATURAL_ABUND\n')
none_found_flag = 1
for q in range(1, max_charge + 1):
# total_A = q * A1
# print( '\n\nINFO: Checking q = %d, A = %d' % ( q, total_A) )
for Z in range(1, max_Z):
for N in range(0, max_N):
# we have a candidate, add mass and all labels
mass = atom_masses[Z][N]
# default value: mass was not found in ame16
if mass == -1:
continue
mass -= q * nuclear_data.electron_mass
current_omega = mass_to_omega(mass, q)
if np.abs(current_omega - omega) <= d_omega:
half_life = half_lives[Z, N]
element_name = z_to_element(Z).title()
print('%.1f\t%s \t%d\t%d\t%d\t%d\t%.2f\t%.2f\t%.2f' %
(current_omega, element_name, q, Z + N, Z, N,
half_life, cf_yields[Z, N], abundances[Z, N]))
none_found_flag = 0
if none_found_flag:
print('NONE FOUND')
def set_params_from_ion_data_button_clicked(self):
print('INFO: setting tabor params from ion data...')
Z, A, q = self.tabor_ion_entry.fetch()
N = A - Z
self.processor.Z = Z
self.processor.A = A
# self.processor.q = q
mass = cpt_tools.nuclear_data.masses[Z, N]
omega_c = cpt_tools.mass_to_omega(mass, q, atomic_mass=1)
omega_minus = float(self.tabor_table.cellWidget(0, 0).text())
omega_plus = omega_c - omega_minus
print(omega_minus)
print(omega_c)
print(omega_plus)
frequencies = [omega_plus, omega_c]
for i in range(2):
self.tabor_table.cellWidget(0,
i + 1).setText('%.1f' % frequencies[i])
self.processor.tabor_params = self.tabor_params_widget.fetch()
def check_molecule_combinations(molecule_db, omega, d_omega, half_lives,
cf_yields, abundances):
candidate_masses = []
candidate_indices = []
candidate_labels = []
none_found_flag = 1
print('MOLECULE MATCHES')
print('KEY:')
print('MOLECULE NAME')
print('\tQ')
print('\tA')
print('\tOMEGA (Hz)')
print('\tZ')
print('\tN')
print('\tHalf lives (inf = stable) (seconds)')
print('\tCf yield')
print('\tRelative natural Abundance')
print('')
for q in range(1, max_charge + 1):
print('\n\nINFO: checking q = %d' %
q) # , expected A = %d' % ( q, total_A) )
print(omega)
print(q)
print(nuclear_data.electron_mass)
mass_low = omega_to_mass(omega + d_omega,
q) + q * nuclear_data.electron_mass
mass_high = omega_to_mass(omega - d_omega,
q) + q * nuclear_data.electron_mass
# print( [ mass_low, mass_high ] )
isobar_molecules = molecule_db.search_mass(mass_low, mass_high)
if len(isobar_molecules) > 0:
print('INFO: Found %d candidates:\n' % len(isobar_molecules))
for data in isobar_molecules:
mass = data['mass']
mass -= q * nuclear_data.electron_mass
current_omega = mass_to_omega(mass, q)
Z = pickle.loads(data['Z'])
N = pickle.loads(data['N'])
isomer_labels = pickle.loads(data['isomer_labels'])
molecule_name = data['molecule_name']
A = np.sum(Z) + np.sum(N)
half_life = np.array(
[half_lives[Z[i], N[i]] for i in range(len(Z))])
current_cf_yields = np.array(
[cf_yields[Z[i], N[i]] for i in range(len(Z))])
abunds_arr = np.array(
[abundances[Z[i], N[i]] for i in range(len(Z))])
# if ( np.any( ( half_life < min_half_life ) )
# or np.any( current_cf_yields < min_cf_yield_fraction ) ) :
# continue
if np.all((half_life == np.inf)):
half_life_str = 'all stable'
else:
half_life_str = ['%.2e' % x for x in half_life]
if np.all((current_cf_yields == 0.0)):
cf_yields_str = 'no cf production'
else:
cf_yields_str = ['%.2e' % x for x in current_cf_yields]
abunds_str = ['%.3f' % x for x in abunds_arr]
print('%s' % molecule_name)
print('\t%d' % q)
print('\t%d' % A)
print('\t%.1f' % current_omega)
print('\t%s' % str(Z))
print('\t%s' % str(N))
print('\t%s' % str(half_life_str))
print('\t%s' % str(cf_yields_str))
print('\t%s' % str(abunds_str))
print('\n')
# candidate_labels.append( [ nuclide_labels ] )
else:
print('NONE FOUND')