def test_ionmix():
"""Reading an ionmix table"""
mpath = "/home/rth/luli/NestedOutflows/NestedOutflows/simulations/NestedOutflows"
mat1 = eos.EosMaterial(63720,
options={
'type': 'ionmix',
'abar': 26.9815,
'zbar': 13.0,
'rho_ref': 2.7,
'path': os.path.join(mpath, 'al-imx-32g.cn4')
},
units='cgs',
backend='tabulated')
mat1.save('/tmp/ionmix_63720.ses')
mat2 = eos.EosMaterial(63720,
tables=['.t_DT'],
units='cgs',
backend='eospac')
temp = np.array([2.000E+03 * eos.eV2K_cst])
rho = np.array([4.480E-01])
# comparing with values in al-imx-32g.imx
yield assert_allclose, mat2.Pt_DT(rho,
temp), np.array([3.204E+13 + 4.102E+14
]), 1e-3
yield assert_allclose, mat2.Ut_DT(
rho, temp), np.array([1.188E+07 + 1.591E+08]) * 1e7, 1e-4
def test_sesascii():
""" Conversion from ASCII to Binary for SESAME format """
raise SkipTest
matbase = 3719
matid_new = int(9e4 + matbase)
material = 'Fe'
tab_options = {
'type': 'sesascii',
'prescision': 'single',
'path': '/home/rth/luli/eos/sesame/xsesame_ascii'
}
tables = ['Ut_DT', 'Pt_DT', 'At_DT']
# Reading the ascii file
mat_ascii = eos.EosMaterial(matbase,
tables=tables,
options=tab_options,
units='eospac',
backend='tabulated')
# Writing to binary
filename = '/tmp/{0}_sesame_{1}.sesb'.format(material, matid_new)
mat_ascii.save(filename, matid=matid_new)
# Reopening the binary file
mat_bin0 = eos.EosMaterial(matbase,
tables=tables,
options={},
units='eospac',
backend='eospac')
mat_bin1 = eos.EosMaterial(matid_new,
tables=tables,
options={},
units='eospac',
backend='eospac')
for tab_name in tables:
tab0 = getattr(mat_bin0, tab_name)
tab1 = getattr(mat_bin1, tab_name)
for key in ['D_Array', 'T_Array', 'F_Array']:
if not np.allclose(tab0[key], tab1[key]):
print tab_name, key, 'failed'
yield assert_allclose, tab0[key], tab1[key], 1e-5
def test_consitency_wdv_ideal_gas():
rho = 1e-6
temp = 10*11640
eosmat_gamma = eos.EosMaterial(material,
tables=['Pt_DT'],
options={'game': 1.6666, 'abar': abar, 'gamc': 1.6666},
units='eospac',
backend='gamma')
yield assert_allclose, eosmat.Pt_DT(rho, temp), eosmat_gamma.Pt_DT(rho, temp), 1e-5
def setup():
global tables_list, material
global sestab
tables_list = ['Pt_DT', 'Ut_DT']
material = 7593
sestab = eos.EosMaterial(material,
tables=tables_list,
options={},
units='eospac')
def setup():
global tables_list, material
global tab
global X, Y
# Load the tables to compute all the derived quantities for all species
material = 7593
tab = eos.EosMaterial(material,
eos.derived_quantities.keys(),
spec=['t', 'e', 'ic'],
options={})
# selecting an isotherm at 10 eV
Xarr = tab.Pt_DT['R_Array'][2:-1] * 1.1
Yarr = np.array([10, 100, 1000]) * 11640
X, Y = np.meshgrid(Xarr, Yarr, indexing='ij')
def setup():
global tables_list, material
global eosmat
global abar, gamc, game
tables_list = ['.*_DT', '.*_DUt']
material = None
gamc, game, abar = 1.66, 1.66, 3.5
eosmat = eos.EosMaterial(material,
tables=tables_list,
options={
'game': game,
'gamc': gamc,
'abar': abar
},
backend='gamma')
def setup():
global tables_list, material
global eosmat
global abar, gamc, game
tables_list = ['St_DUt', 'Pt_DT', 'T_DUt', 'Ut_DT', 'At_DT', 'Pt_DUt', 'T_DPt', 'Pt_DSt', 'St_DT']
# http://courses.chem.indiana.edu/c360/documents/vanderwaalsconstants.pdf
material = None
# parameters for water
a = 5.537 # bar*L²/mol²
b = 0.0305 # L/mol
delta = 0.329
abar = 6.0
eosmat = eos.EosMaterial(material,
tables=tables_list,
options={'delta': delta, 'a': a, 'b': b, 'abar': abar},
units='eospac',
backend='vdw')
# <markdowncell>
# II. Single material interpolations
# ----------------------------------
# <codecell>
# Load some tables for the material no 3720 (Aluminium)
# options keys accepts regular expressions. For instance
# - '.*' would match any table
# - '[PU]t_DT' matches 'Pt_DT', 'Ut_DT'
# - etc..
mat = eos.EosMaterial(7593, ['Pt_DT', 'Ut_DT','St_DT', 'Pt_DSt'],
options={'.*': {'create_tzero': True},
'[PU]t_DT': {'x_convert': 1.0},
'St_DT': {'linear': True},
})
# see what options are applied
for table_name in mat.tables:
print table_name, mat.get_table(table_name).options
# <codecell>
# Separate tables can be accessed as parameters of the 'mat' object for instance 'm.Pt_DT'
# this is a shortcut from m.get_table('Pt_DT')
# Info values can be acessed as attributes of the EosMaterial class
print mat.Pt_DT['Normal_Density'], mat.Pt_DT['Mean_Atomic_Num']
# <codecell>
def test_derived_quantities_zero_order():
"""Checking all derived quantities can be computed (e.g. that dependencies are ok)"""
for qtty_name, qtty_dict in eos.derived_quantities.iteritems():
ctab = eos.EosMaterial(material, [qtty_name], spec=qtty_dict['spec'])
for spec in qtty_dict['spec']:
yield ctab.q[qtty_name, spec], X, Y
# 'grid_subsample_default': 0}
#tab_options['path'] = os.path.join(NESTED_DIR, tab_options['path'])
#mat1 = eos.EosMaterial(7e4+matbase,
# options=tab_options,
# units='cgs', backend='tabulated')
#mat1.save(os.path.join(DATA_DIR, '{0}_ionmix_{1}.sesb').format(material, int(7e4+matbase)))
#==============================================================================
# Iron
#==============================================================================
#matbase = 3332
#feosid = 83333
#material = 'Cu'
#
#feos_opts ={'use_maxwell': False, 'use_softspheres': True,
# 'maxwell_temp_arr': None, 'max_materials': 1,
# 'grid_subsample_default': 1}
#
mat2 = eos.EosMaterial(matbase,
tables=[tab for tab in avalable_tabs],
options=feos_opts,
units='cgs',
backend='feos')
if feos_opts['use_maxwell']:
print 'Critical point {3}: {0:.3f} g.cm⁻³, {1:.1f} K, {2:.0f} bar'.format(
mat2.Pt_DT['critical_rho'], mat2.Pt_DT['critical_temp'] * 11640,
mat2.Pt_DT['critical_P'] * 1e-10 * 1e4, material)
mat2.save(os.path.join(DATA_DIR, '{0}_feos_{1}.sesb'.format(material, feosid)),
matid=feosid)
'ref': {
'color': 'k',
'ls': 'solid'
}
}
for key in df:
df[key] = df[key].sort(columns='temp_source')
df['IONMIX, FLASH'].drop_duplicates(inplace=True)
df['FEOS, FLASH'].drop_duplicates(subset='temp_source', inplace=True)
eos_pars = {'.*': {'linear': True}}
matid = 83719
matf = eos.EosMaterial(matid,
tables=['Piz_DT', 'Uiz_DT', 'Pe_DT', 'Ue_DT', 'Zfc_DT'],
options=eos_pars,
units='eospac',
backend='eospac')
state0 = {"temp": 298, "rho": 2.7}
state1 = {"pres": np.logspace(-0.2, 2.2, 100) * 100} # GPa
rh = RankineHugoniot.solve(state0,
state1,
backend='eospac',
eos_pars=eos_pars,
material=matid,
root_opts={'method': 'lm'})
fig = plt.figure(figsize=get_figsize(wf=1.1, hf=0.6))
plt.subplots_adjust(wspace=0.3, hspace=0.3)
def setup_eos():
matid = '99999'
tab = eos.EosMaterial(matid,
['Pt_DT', 'T_DPt', 'Ut_DT', 'St_DT', 'gamc_s'],
spec=['t'],
options={
'delta': 0.0125,
'a': 5.537,
'b': 0.0305,
'abar': 6.00530
},
units='cgs',
backend='vdw')
rho_c = tab.Pt_DT['rho_c']
temp_c = tab.Pt_DT['temp_c']
pres_c = tab.Pt_DT['Pt_c']
#print rho_c, temp_c, pres_c
eos_tests = {}
#st0 = {'rho': 1.01000, 'pres': 1.60770}
#st1 = {'rho': 0.59400, 'pres': 1.36136}
#eos_tests['WV1'] = [st0, st1]
st0 = {'rho': 1.818, 'pres': 3.0, 'G': 4.118}
st1 = {'rho': 0.275, 'pres': 0.575, 'G': 0.703}
eos_tests['DG1'] = [st0, st1]
st0 = {'rho': 0.879, 'pres': 1.090, 'G': -0.031}
st1 = {'rho': 0.562, 'pres': 0.885, 'G': -4.016}
eos_tests['DG2'] = [st0, st1]
st0 = {'rho': 0.879, 'pres': 1.090, 'G': -0.031}
st1 = {'rho': 0.275, 'pres': 0.575, 'G': 0.703}
eos_tests['DG3'] = [st0, st1]
for key in eos_tests:
for stateid in range(2):
eos_tests[key][stateid]['rho'] *= rho_c
eos_tests[key][stateid]['pres'] *= pres_c
crho = eos_tests[key][stateid]['rho']
cpres = eos_tests[key][stateid]['pres']
eos_tests[key][stateid]['temp'] = float(tab.T_DPt(crho, cpres))
ctemp = eos_tests[key][stateid]['temp']
eos_tests[key][stateid]['eint'] = float(tab.Ut_DT(crho, ctemp))
eos_tests[key][stateid]['Gamma'] = float(tab.q['Gamma'](crho,
ctemp))
eos_tests[key][stateid]['Gamma_e'] = float(tab.q['game0'](
crho, ctemp)) - 1
eos_tests[key][stateid]['gamma'] = float(tab.q['gamc_s'](np.array(
[crho]), np.array([ctemp])))
try:
np.testing.assert_allclose(eos_tests[key][stateid]['G'],
tab.q['G3_vdw'](crho, ctemp),
rtol=2e-2,
err_msg=key + '_' + str(stateid))
except:
print(key + '_' + str(stateid), 'failed!')
test_data = eos_tests[test_case]
t_snapshot = {'DG1': 0.15, 'DG2': 0.45, 'DG3': 0.2}
dt = {'DG1': 5e-4, 'DG2': 1.5e-3, 'DG3': 1e-3}
treal = lambda tnorm: tnorm * 1.0 * (rho_c / pres_c)**0.5
treal_t = treal(t_snapshot[test_case])
treal_dt = treal(dt[test_case])
return {
'tab': tab,
'state': test_data,
'treal': treal_t,
'dt': treal_dt,
'test': test_case
}
Ftab, Fval1, float(Fval2), np.allclose(Fval1, Fval2, rtol=1e-3))
def get_shock_position(d):
if (d['pres'].max() - d['pres'].min()) / d['pres'].mean() < 0.2:
return np.nan
else:
idx = np.nanargmin(
savgol(d['x'], d['pres'], window_size=5, order=2, deriv=1))
return d['x'][idx]
matf = eos.EosMaterial(83719,
tables=['Piz_DT', 'Uiz_DT', 'Pe_DT', 'Ue_DT', 'Zfc_DT'],
options={'.*': {
'linear': True
}},
units='eospac',
backend='eospac')
feosid = 83719
material = 'Al'
feos_opts = {
'use_maxwell': True,
'use_softspheres': True,
'maxwell_temp_arr': None,
'max_materials': 2,
'grid_subsample_default': 0
}