def test_DetectorEfficiency_cancel():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
new_domain = (-1 * energy_from_lambda(6.0), UPPER_INTEGRATION_LIMIT)
sqe.update_domain(new_domain)
# init energycutoff
decf = DetectorEfficiencyCorrectionFactor(sqe, ne=10, nlam=5)
ee, ll = energy_lambda_nrange(15.0, 6.0, 0.12, 10000, 20)
# print(detector_efficiency(ee, ll, 1) * decf(ee, ll))
print(
trapz(trapz(decf(ee, ll) * decf.legacy_calc(ee, ll, 0), ee, axis=0),
ll[0]))
# print(trapz(trapz(ones(ll.shape), ee, axis=0), ll[0]))
print(trapz(trapz(decf.legacy_calc(ee, ll, 1), ee, axis=0), ll[0]))
print(trapz(trapz(decf.legacy_calc(ee, ll, 0), ee, axis=0), ll[0]))
print(
trapz(
trapz(decf.legacy_calc(ee, ll, 0), ee, axis=0) /
trapz(trapz(decf.legacy_calc(ee, ll, 1), ee, axis=0), ll[0]),
ll[0]))
def test_export_load():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
new_domain = (-1 * energy_from_lambda(6.0), UPPER_INTEGRATION_LIMIT)
sqe.update_domain(new_domain)
# init energycutoff
decf = DetectorEfficiencyCorrectionFactor(sqe, ne=10000, nlam=20)
# exports
corrdict = decf.export_to_dict()
decf.export_to_jsonfile(
f"{testdir}/resources/test_correction_export_load_file.json")
# loading
decf_from_dict = decf.load_from_dict(**corrdict)
print(decf_from_dict.export_to_dict())
print("", "Loading successful: ", decf, decf_from_dict, sep='\n')
decf_from_jsonfile = decf.load_from_jsonfile(
f"{testdir}/resources/test_correction_export_load_file.json")
print("Loading successful: ", decf, decf_from_jsonfile, sep='\n')
def test_transformer_init():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
L3 = F_ILine("FI1", (-energy_from_lambda(6.0), 15),
x0=-0.1,
width=0.008,
A=350.0,
q=0.02,
kappa=0.01,
c=0.0,
weight=1)
# Contruct a SqE model
sqe1 = SqE(lines=(L2, ), lam=6.0, dlam=0.12, lSD=3.43, T=20)
sqe2 = SqE(lines=(L1, L2, L3), lam=6.0, dlam=0.12, lSD=3.43, T=20)
### Instantiate a transformer
SqtTransformer(sqe2, nlam=20, ne=10000)
def test_sqe_normalization():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, l_SD=3.43, T=20)
new_domain = (-1 * energy_from_lambda(6.0), UPPER_INTEGRATION_LIMIT)
sqe.update_domain(new_domain)
# integrate over domain
from scipy.integrate import quad
to_integrate = lambda x: sqe(x)
valdom, errdom = quad(to_integrate, *new_domain)
valover, errover = quad(to_integrate, -15, 20)
print(
f"Integration value over domain from {new_domain[0]:.5f} to {UPPER_INTEGRATION_LIMIT}: {valdom:.5f} +- {errdom:.5f}"
) # | normalization factor: {n:.5f}")
print(
f"Integration value beyond domain from -15.0 to 20.0: {valover:.5f} +- {errover:.5f}"
)
def test_from_sqe():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
L1g = LorentzianLine("Lorentzian1g", (-5.0, 5.0),
x0=0.0,
width=0.5,
c=0.0,
weight=1)
L2g = LorentzianLine(name="Lorentzian2g",
domain=(-5.0, 5.0),
x0=-1.5,
width=0.3,
c=0.0,
weight=1)
# Contruct a SqE model
sqe1 = SqE((L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
sqe1g = SqE((L1g, L2g), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Create some data and a Minuit obj from sqe
x = linspace(-5, 5, 26)
y = sqe1(x) * 1000
yerr = y**0.5
y += random.randn(len(x)) * yerr
m = FitModelCreator.from_sqe(sqe1, x, y / 1000, yerr / 1000,
[0.5, 0.0, 1.7, -1.5, 0.3, 0.0, 1])
fmin, res = m.migrad()
# print(fmin)
# print(res)
dL1res = {
"x0": 0.0,
"width": res[0].value,
"c": res[1].value,
"weight": res[2].value
}
dL2res = {
"x0": res[3].value,
"width": res[4].value,
"c": res[5].value,
"weight": res[6].value
}
L1res = LorentzianLine(name="Lorentzian1res", domain=(-5.0, 5.0), **dL1res)
L2res = LorentzianLine(name="Lorentzian2res", domain=(-5.0, 5.0), **dL2res)
sqe1res = SqE((L1res, L2res), lam=6.0, dlam=0.12, lSD=3.43, T=20)
def test_transformer_init():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0), x0=0.0, width=0.4, c=0.0, weight=2)
L2 = LorentzianLine(name="Lorentzian2", domain=(-5.0, 5.0), x0=-1.0, width=0.4, c=0.0, weight=1)
# Contruct a SqE model
sqe1 = SqE(lines=(L2,), lam=6.0, dlam=0.12, l_SD=3.43, T=20)
SqE(lines=(L1, L2), lam=6.0, dlam=0.12, l_SD=3.43, T=20)
### Instantiate a transformer
SqtTransformer(sqe1, n_lam=20, n_e=10000)
def test_update_params():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# init energycutoff
decf = DetectorEfficiencyCorrectionFactor(sqe, ne=10000, nlam=20)
pprint(decf.export_to_dict())
tdict = dict(T=30,
lam=8.0,
x0_Lorentzian2=-0.5,
weight_Lorentzian1=5,
nlam=55)
decf.update_params(**tdict)
pprint(decf.export_to_dict())
def test_EnergyCutOffCorrectionFactor_vs_arg():
# We need some lines
L1 = LorentzianLine(name="Lorentzian1",
domain=(-16.0, 16.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, ), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Instantiate a energy cutoff corr factor
eccf = EnergyCutOffCorrectionFactor(sqe)
ne = 15000
nlam = 20
lam = 6.0 * linspace(1 - 0.12 * 1.01, 1 + 0.12 * 1.01, nlam)
lams = tile(lam, (ne, 1))
a = -0.99999 * energy_from_lambda(lam)
b = 15.0 + a
es = linspace(a, b, ne)
test_eccf_vals = arg.CutFac_Eint(arg.lorentzian, -1.0, 0.4, 15000, 20, 6.0,
0.12, 1, 0.0, 1.0, 20, 0.5, 0.00001, 350.)
eccf_vals = eccf.correction(es, lams)
# print(test_eccf_vals.shape)
print(test_eccf_vals)
# print(eccf_vals.shape)
print(eccf_vals)
def test_correctionFactor_dimensionality():
# We need some lines
L1 = LorentzianLine(name="Lorentzian1",
domain=(-16.0, 16.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, ), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Instantiate a detector efficiency corr factor
decf = DetectorEfficiencyCorrectionFactor(sqe)
# Instantiate a energy cutoff corr factor
eccf = EnergyCutOffCorrectionFactor(sqe)
ne = 15
nlam = 5
lam = 6.0 * linspace(1 - 0.12 * 1.01, 1 + 0.12 * 1.01, nlam)
lams = tile(lam, (ne, 1))
a = -0.99999 * energy_from_lambda(lam)
b = 15.0 + a
es = linspace(a, b, ne)
print(lams)
print(es)
print(decf.calc(es, lams))
print(eccf.calc(es, lams))
def test_export_load():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.00005,
c=0.0,
weight=0.1)
L2 = F_ILine("FI1", (-energy_from_lambda(6.0), 15),
x0=-0.01,
width=0.008,
A=350.0,
q=0.02,
kappa=0.01,
c=0.0,
weight=0.9)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=628)
# Add the detector efficiency correction
decf = DetectorEfficiencyCorrectionFactor(sqe, ne=500, nlam=20)
# Add the energycutoff correction
eccf = EnergyCutOffCorrectionFactor(sqe, ne=500, nlam=20)
### Instantiate a transformer
sqt = SqtTransformer(sqe,
corrections=(decf, eccf),
nlam=20,
ne=500,
lSD=3.43,
integ_mode="adaptive")
### Export
sqt_dict = sqt.export_to_dict()
pprint(sqt_dict["corrections"])
sqt.export_to_jsonfile(
f"{testdir}/resources/test_transformer_export_load_file.json")
print("",
"SqE's of the: ",
f"- sqe: {sqe}",
f"- decf: {decf.sqe}",
f"- eccf: {eccf.sqe}",
f"- sqt: {sqt.sqemodel}",
sep="\n")
### Loading
sqt_from_dict = sqt.load_from_dict(**sqt_dict)
print("", "Loading successful: ", sqt, sqt_from_dict, sep='\n')
sqt_from_file = sqt.load_from_jsonfile(
f"{testdir}/resources/test_transformer_export_load_file.json")
print("Loading successful: ", sqt, sqt_from_file, sep='\n')
print("",
"SqE's of the: ",
f"- sqe: {sqe}",
f"- decf: {sqt_from_dict.corrections[0].sqe}",
f"- eccf: {sqt_from_dict.corrections[1].sqe}",
f"- sqt: {sqt_from_dict.sqemodel}",
sep="\n")
print("\n\nThis is the sqt loaded from dict")
pprint(sqt_from_file.export_to_dict())
def test_DetectorEfficiencyCorrectionFactor_compare_with_arg():
# We need some lines
L1 = LorentzianLine(name="Lorentzian1",
domain=(-16.0, 16.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, ), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Instantiate a detector efficiency corr factor
decf = DetectorEfficiencyCorrectionFactor(sqe)
ne = 15000
nlam = 20
lam = 6.0 * linspace(1 - 0.12 * 1.01, 1 + 0.12 * 1.01, nlam)
lams = tile(lam, (ne, 1))
a = -0.99999 * energy_from_lambda(lam)
b = 15.0 + a
es = linspace(a, b, ne)
test_decf_val = arg.DetFac_Eint_lamInt(arg.fqe_I, -1.0, 0.4, 15000, 20,
6.0, 0.12, 1, 0.0, 1.0, 20, 0.5,
0.00001, 350.)
decf_val_man_int = decf(es, lams)
decf_val = decf.correction(es, lams)
print("arg res: ", test_decf_val)
print("class calc res manualy integrated: ", decf_val_man_int)
print("class res: ", decf_val)
def load_from_dict(cls, **transformer_dict):
"""
"""
params = transformer_dict["params"]
sqemodel = SqE.load_from_dict(**transformer_dict["sqemodel"])
corrections = tuple([
CorrectionFactor.load_from_dict(**cdict)
for cdict in transformer_dict["corrections"]
])
return cls(sqemodel, corrections, **params)
def test_from_Minuit_and_adjust_it():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=1)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=1.5,
width=0.4,
c=0.0,
weight=2)
# Contruct a SqE model
sqe1 = SqE((L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
### Instantiate a transformer
sqt1 = SqtTransformer(
sqe1,
corrections=(
), #(DetectorEfficiencyCorrectionFactor(sqe1, ne=15000, nlam=20),),
ne=10000,
nlam=20,
lSD=3.43)
### Values for transformation
datataus = array([
2.0e-6, 6.0e-6, 4.1e-5, 2.5e-4, 5.5e-4, 1.0e-3, 1.32e-3, 1.7e-3,
2.2e-3, 2.63e-3, 2.77e-3, 3.3e-3, 4.27e-3, 5.11e-3, 6.77e-3, 8.96e-3,
2.0e-2
])
x = MIEZE_DeltaFreq_from_time(datataus * 1.0e-9, 3.43, 6.0)
### create artificial data via TRANSFORM!!
y = array([sqt1(freq) for freq in x])
yerr = 0.02 * random.randn(len(y))
### initialize Minuits!
m = FitModelCreator.from_transformer(sqt1, x, y + yerr, yerr,
[0.45, 0.0, 1.2, -1.5, 0.3, 0.0, 2.2])
m.fixed["c_Lorentzian1"] = True
m.fixed["c_Lorentzian2"] = True
# Adjust fit behavior -> reinitialize another Minuit obj
m2 = FitModelCreator.from_Minuit(minuitobj=m,
limit_weight_Lorentzian1=(0, None),
limit_width_Lorentzian1=(0, None),
limit_weight_Lorentzian2=(0, None),
limit_width_Lorentzian2=(0, None),
fix_c_Lorentzian1=True,
fix_c_Lorentzian2=True)
def test_from_transformer():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=1)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=1.5,
width=0.4,
c=0.0,
weight=2)
L3 = F_ILine("FI1", (-energy_from_lambda(6.0), 15),
x0=-0.1,
width=0.008,
A=350.0,
q=0.02,
kappa=0.01,
c=0.0,
weight=1)
# Contruct a SqE model
sqe1 = SqE((L1, L2, L3), lam=6.0, dlam=0.12, lSD=3.43, T=20)
### Instantiate a transformer
sqt1 = SqtTransformer(sqe1,
corrections=(DetectorEfficiencyCorrectionFactor(
sqe1, ne=10000, nlam=20), ),
ne=10000,
nlam=20,
lSD=3.43)
### Values for transformation
datataus = array([
2.0e-6, 6.0e-6, 4.1e-5, 2.5e-4, 5.5e-4, 1.0e-3, 1.32e-3, 1.7e-3,
2.2e-3, 2.63e-3, 2.77e-3, 3.3e-3, 4.27e-3, 5.11e-3, 6.77e-3, 8.96e-3,
2.0e-2
])
x = MIEZE_DeltaFreq_from_time(datataus * 1.0e-9, 3.43, 6.0)
### create artificial data via TRANSFORM!!
y = array([sqt1(freq) for freq in x])
yerr = 0.02 * random.randn(len(y))
### instntiate Minuit obj!
m = FitModelCreator.from_transformer(sqt1, x, y + yerr, yerr, [
0.45, 0.0, 1.2, -1.5, 0.3, 0.0, 2.2, -0.5, 0.01, 350.0, 0.02, 0.01,
0.0, 1.0
])
def test_update_params():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
L3 = F_ILine("FI1", (-energy_from_lambda(6.0), 15),
x0=-0.1,
width=0.008,
A=350.0,
q=0.02,
kappa=0.01,
c=0.0,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2, L3), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Add the detector efficiency correction
decf = DetectorEfficiencyCorrectionFactor(sqe, ne=10000, nlam=20)
# Add the energycutoff correction
eccf = EnergyCutOffCorrectionFactor(sqe, ne=10000, nlam=20)
### Instantiate a transformer
sqt = SqtTransformer(sqe,
corrections=(decf, eccf),
nlam=20,
ne=10000,
lSD=3.43)
print("\n\nBefore update:")
pprint(sqt.export_to_dict())
tdict = dict(T=30,
lam=8.0,
x0_Lorentzian2=-0.5,
width_Lorentzian2=0.025,
weight_Lorentzian1=5,
nlam=55,
kappa_FI1=1.0,
some_wired_param=True)
sqt.update_params(**tdict)
print("\n\nAfter update:")
pprint(sqt.export_to_dict())
def test_DetectorEfficiencyCorrectionFactor():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Instantiate a detector efficiency corr factor
decf = DetectorEfficiencyCorrectionFactor(sqe)
ne = 10
nlam = 5
lam = 6.0 * linspace(1 - 0.12 * 1.01, 1 + 0.12 * 1.01, nlam)
lams = tile(lam, (ne, 1))
a = -0.99999 * energy_from_lambda(lam)
b = 15.0 + a
es = linspace(a, b, ne)
deteff = detector_efficiency(es, lams, 1)
tria = triangle_distribution(lams, 6.0, 0.12)
print("Triangular wavelenght distr.: ", tria)
print("Triangular wavelength distr. shape: ", tria.shape)
print("Det. eff. values: ", deteff)
print("Det. eff. values shape: :", deteff.shape)
sqevals = sqe(es)
print("Manual mult.: ", sqevals * deteff * tria)
print("Class result: ", decf(es, lams))
print("Are manual and deteffcorrfac identical?: ",
all((sqevals * deteff * tria) == decf(es, lams)))
def test_transformer_basics():
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine(name="Lorentzian1", domain=(-15.0, 15.0), x0=-1.0, width=0.4, c=0.0, weight=3)
# Contruct a SqE model
sqe1 = SqE(lines=(L1,), lam=6.0, dlam=0.12, l_SD=3.43, T=20)
### Instantiate a transformer
sqt1 = SqtTransformer(
sqe1,
corrections=(DetectorEfficiencyCorrectionFactor(sqe1, n_e=15000, n_lam=20),),
n_e=15000,
n_lam=20,
l_SD=3.43
)
### Values for transformation
taus = logspace(-6, -1, 11)
freqs = MIEZE_DeltaFreq_from_time(taus*1.0e-9, 3.43, 6.0)
### TRANSFORM!!
sqt1vals = [sqt1(freq) for freq in freqs]
sqt1vals_arg = arg.Sqt(
arg.fqe_I,
freqs,
-1.0,
0.4,
15000,
20,
3.43,
6.0,
0.12,
0.0,
1.0,
20,
0.00005,
0.1,
350.
)
L1(e) * L1.normalize(),
color="C1",
ls="--",
lw=1.0,
label="(re)normalized")
ax1.set_title("A simple Line")
ax1.legend()
#plt.show()
#------------------------------------------------------------------------------
### Create a SqE model from the three lines
### Add the three weighted lines individually
icalcstrat = InelasticCalcStrategy(T=20.)
qcalcstrat = QuasielasticCalcStrategy()
# This creates the sqe model
sqe1 = SqE(lines=(L1, L2, L3), lam=6.0, dlam=0.12, l_SD=3.43, T=20)
# Sum of the Lines (l1, L2, L3) weights
sum_of_weights = sum([l.line_params["weight"] for l in (L1, L2, L3)])
f2 = plt.figure(figsize=(6.0, 4.0))
ax2 = f2.add_subplot(111)
ax2.plot(e, sqe1(e), color="C4", label="S(q,E)", ls="-", lw=2.0)
ax2.plot(e,
qcalcstrat.calc(L1, e) / sum_of_weights,
color="C0",
ls="--",
label=f"{L1.name} (quasiel)")
ax2.plot(e,
qcalcstrat.calc(L2, e) / sum_of_weights,
color="C1",
def test_EnergyCutoffCorrectionFactor():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
new_domain = (-1 * energy_from_lambda(6.0), UPPER_INTEGRATION_LIMIT)
sqe.update_domain(new_domain)
# init energycutoff
eccf = EnergyCutOffCorrectionFactor(sqe, ne=10000, nlam=20)
ne = 10000
nlam = 5
lam = 6.0 * linspace(1 - 0.12 * 1.01, 1 + 0.12 * 1.01, nlam)
lams = tile(lam, (ne, 1))
a = -0.99999 * energy_from_lambda(lam)
b = 15.0 + a
es = linspace(a, b, ne)
### Calculate the trapz integral over the S(q,E)
# Only over domain (interval length: 15 meV)
I_over_dom_only = trapz(sqe(es[:, 2]), es[:, 2])
print("Trapz integration over the domain.")
print(f"Interval {a[2]:.4f} - {b[2]:.4f} -> length {b[2]-a[2]:.4f} meV.")
print(f"#Steps = {ne}")
print(f"Integral value: {I_over_dom_only:.4f}")
# plt.plot(es[:,2], sqe(es[:,2]), label="Over domain only")
# plt.show()
# Beyond domain same array length
es_same_length = linspace(-UPPER_INTEGRATION_LIMIT,
UPPER_INTEGRATION_LIMIT, ne)
I_beyond_dom_same_length = trapz(sqe(es_same_length), es_same_length)
print("\nTrapz integration beyond the domain with varrying stepsize.")
print(
f"Interval {-UPPER_INTEGRATION_LIMIT} - {UPPER_INTEGRATION_LIMIT} -> length {30.0} meV."
)
print(f"#Steps = {ne}")
print(f"Integral value: {I_beyond_dom_same_length:.4f}")
# plt.plot(es_same_length, sqe(es_same_length), ls="--", label="Beyond domain ne=10000")
# plt.show()
# Beyond domain same step size
es_same_stepsize = arange(-UPPER_INTEGRATION_LIMIT,
UPPER_INTEGRATION_LIMIT + 0.001, 15e-3)
I_beyond_dom_same_stepsize = trapz(sqe(es_same_stepsize), es_same_stepsize)
print("\nTrapz integration beyond the domain with varrying stepsize.")
print(
f"Interval {-UPPER_INTEGRATION_LIMIT} - {UPPER_INTEGRATION_LIMIT} -> length {30.0} meV."
)
print(f"#Steps = {30.0 / 0.015}")
print(f"Integral value: {I_beyond_dom_same_stepsize:.4f}")
def slow_vis_fitting():
### Creating a SqE model for transformation
# We need some lines
# L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0), x0=0.0, width=0.4, c=0.0, weight=1)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=1.5,
width=0.4,
c=0.0,
weight=2)
L3 = F_ILine("FI1", (-energy_from_lambda(6.0), 15),
x0=0.0,
width=0.008,
A=350.0,
q=0.02,
kappa=0.01,
c=0.0,
weight=1)
# Contruct a SqE model
sqe1 = SqE((L2, L3), lam=6.0, dlam=0.12, lSD=3.43, T=20)
### Instantiate a transformer
# Consider detector efficiency
decf = DetectorEfficiencyCorrectionFactor(sqe1)
sqt1 = SqtTransformer(sqe1,
corrections=(decf, ),
ne=10000,
nlam=20,
lSD=3.43)
### Creating a logger for debugging:
import logging
# Create and configure logger
logging.basicConfig(filename=f"{testdir}/resources/fit.log",
level=logging.INFO,
filemode="w")
logger = logging.getLogger()
### Values for transformation
taus = logspace(-6, -1, 101)
datataus = array([
2.0e-6, 6.0e-6, 4.1e-5, 2.5e-4, 5.5e-4, 1.0e-3, 1.32e-3, 1.7e-3,
2.2e-3, 2.63e-3, 2.77e-3, 3.3e-3, 4.27e-3, 5.11e-3, 6.77e-3, 8.96e-3,
2.0e-2
])
x = MIEZE_DeltaFreq_from_time(datataus * 1.0e-9, 3.43, 6.0)
longx = MIEZE_DeltaFreq_from_time(taus * 1.0e-9, 3.43, 6.0)
### TRANSFORM!!
y = array([sqt1(freq) for freq in x])
sqt1vals = array([sqt1(freq) for freq in longx])
yerr = 0.03 * random.randn(len(y))
### FIT!
m = FitModelCreator.from_transformer(
sqt1,
x,
abs(y + yerr),
yerr, [-1.5, 0.2, 0.0, 3.0, 0.01, 350.0, 0.02, 0.015, 0.0, 1.0],
logger=logger)
# m.fixed["c_Lorentzian1"] = True
m.fixed["c_Lorentzian2"] = True
print("fcn for m:\n", m.fcn)
m2 = FitModelCreator.from_Minuit(
minuitobj=m,
# limit_weight_Lorentzian1=(0, None),
# limit_width_Lorentzian1=(0, None),
limit_weight_Lorentzian2=(0, None),
limit_width_Lorentzian2=(0, None),
limit_weight_FI1=(0.0, None),
limit_kappa_FI1=(0.0, None),
# fix_c_Lorentzian1=True,
fix_c_Lorentzian2=True,
# fix_weight_Lorentzian1=True
fix_c_FI1=True,
fix_weight_FI1=True,
fix_A_FI1=True,
fix_q_FI1=True)
print("fcn for m2:\n", m2.fcn)
# fmin, res = m.migrad(ncall=1000)
# print(fmin)
# print(res)
fmin, res = m2.migrad(ncall=1000)
print(fmin)
print(res)
### Gather Fit results
# dL1res1 = {
# "x0" : 0.0,
# "width" : res[0].value,
# "c" : res[1].value,
# "weight" : res[2].value
# }
# dL2res1 = {
# "x0" : res[3].value,
# "width" : res[4].value,
# "c" : res[5].value,
# "weight" : res[6].value
# }
dL2res1 = {
"x0": res[0].value,
"width": res[1].value,
"c": res[2].value,
"weight": res[3].value
}
dFI1res = {
"width": res[4].value,
"A": res[5].value,
"q": res[6].value,
"kappa": res[7].value,
"c": res[8].value,
"weight": res[9].value
}
# L1.update_line_params(**dL1res1)
L2.update_line_params(**dL2res1)
L3.update_line_params(**dFI1res)
sqtres1vals = array([sqt1(freq) for freq in longx])
# ### Gather Fit results
# dL1res2 = {
# "x0" : 0.0,
# "width" : res2[0].value,
# "c" : res2[1].value,
# "weight" : res2[2].value
# }
# dL2res2 = {
# "x0" : res2[3].value,
# "width" : res2[4].value,
# "c" : res2[5].value,
# "weight" : res2[6].value
# }
# L1.update_line_params(**dL1res2)
# L2.update_line_params(**dL2res2)
# sqtres2vals = array([sqt1(freq) for freq in longx])
### Calculate init guess
# dL1ig = {
# "x0" : 0.0,
# "width" : 0.6,
# "c" : 0,
# "weight" : 1.0
# }
# dL2ig = {
# "x0" : -1.5,
# "width" : 0.2,
# "c" : 0.0,
# "weight" : 3.0
# }
dL2ig = {"x0": -1.5, "width": 0.2, "c": 0.0, "weight": 3.0}
dFI1ig = {
"x0": 0.0,
"width": 0.01,
"A": 350,
"q": 0.02,
"kappa": 0.015,
"c": 0.0,
"weight": 1.0
}
# L1.update_line_params(**dL1ig)
L2.update_line_params(**dL2ig)
L3.update_line_params(**dFI1ig)
sqtigvals = array([sqt1(freq) for freq in longx])
plt.plot(taus, sqt1vals, label="orig. curve", ls="--", color="C0")
plt.plot(taus, sqtres1vals, label="fit curve 1", ls="-", color="C1")
# plt.plot(taus, sqtres2vals, label="fit curve 2", ls=":", color="C4")
plt.plot(taus, sqtigvals, label="init guess", ls="-.", color="C2")
plt.errorbar(datataus,
abs(y + yerr),
yerr,
label="data",
ls="",
marker="o",
color="C0")
plt.xscale("log")
plt.xlabel("$\\tau_{MIEZE}$ [ns]", fontsize=16.)
plt.ylabel("S(q,t) [arb. u.]", fontsize=16.)
plt.legend()
plt.show()
def test_DetectorEfficiency_quad_vs_trapz():
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.02,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
### QUAD
from scipy.integrate import dblquad
# parameter for calculation
plam, pdlam = 6.0, 0.12
def dblquadfunc(energy, lam, on):
# det_eff = detector_efficiency(energy, lam, 1)
# sqeval = sqe(energy)
# tri_distr_weight = triangle_distribution(lam, plam, pdlam)
return detector_efficiency(energy, lam,
on) * sqe(energy) * triangle_distribution(
lam, plam, pdlam)
# integrate
t0quad = time()
reson, erron = dblquad(
dblquadfunc,
plam * (1 - pdlam),
plam * (1 + pdlam),
lambda x: -0.9999 * energy_from_lambda(x),
lambda x: UPPER_INTEGRATION_LIMIT,
args=(1, ),
#epsabs=1.0e-2
)
resoff, erroff = dblquad(
dblquadfunc,
plam * (1 - pdlam),
plam * (1 + pdlam),
lambda x: -0.9999 * energy_from_lambda(x),
lambda x: UPPER_INTEGRATION_LIMIT,
args=(0, ),
#epsabs=1.0e-2
)
t1quad = time()
print(
f"RESULT: {resoff/reson} +- {resoff/reson * ((erron/reson)**2+(erroff/resoff)**2)**0.5}"
)
print(f"dblquad took {t1quad - t0quad} seconds")
### TRAPZ
decf = DetectorEfficiencyCorrectionFactor(sqe)
ee, ll = energy_lambda_nrange(UPPER_INTEGRATION_LIMIT, 6.0, 0.12, 15000,
20)
# integrate
t0trapz = time()
trapz_res = decf(ee, ll)
t1trapz = time()
print(f"RESULT: {trapz_res}")
print(f"trapz took {t1trapz - t0trapz} seconds")
### Creating a SqE model for transformation
# We need some lines
L1 = LorentzianLine("Lorentzian1", (-5.0, 5.0),
x0=0.0,
width=0.4,
c=0.0,
weight=2)
L2 = LorentzianLine(name="Lorentzian2",
domain=(-5.0, 5.0),
x0=-1.0,
width=0.4,
c=0.0,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2), lam=6.0, dlam=0.12, lSD=3.43, T=20)
### Instantiate a transformer
sqt = SqtTransformer(sqe, nlam=20, ne=10000)
def test_format_param_dict_for_logger():
names = FitModelCreator.get_param_names(sqe)
params = [0.020, 0.0, 12, 0.15, 0.020, 0.0, 1]
print(format_param_dict_for_logger(dict(zip(names, params))))
#------------------------------------------------------------------------------
def test_format_sqt_lines_for_logger():
print(format_sqt_lines_for_logger(sqt))
def test_adaptive_vs_linear():
#
L1 = LorentzianLine("LL1", (-energy_from_lambda(6.0), 15),
x0=0.048,
width=0.04,
c=0.0,
weight=0.0)
L2 = F_cLine("F_c1", (-energy_from_lambda(6.0), 15),
x0=0.0,
width=0.0001,
A=350.0,
q=0.02,
c=0.0,
weight=1)
L3 = F_ILine("F_I1", (-energy_from_lambda(6.0), 15),
x0=-0.02,
width=0.01,
A=350.0,
q=0.02,
kappa=0.01,
c=0.0,
weight=1)
# Contruct a SqE model
sqe = SqE(lines=(L1, L2, L3), lam=6.0, dlam=0.12, lSD=3.43, T=20)
# Add the detector efficiency correction
decf = DetectorEfficiencyCorrectionFactor(sqe, ne=100, nlam=20)
### Construct the adaptive integration grid
ne = 100
nlam = 21
l = linspace(1 - sqe.model_params["dlam"], 1 + sqe.model_params["dlam"],
nlam) * sqe.model_params["lam"]
a = -0.99999 * energy_from_lambda(l)
ee = sqe.get_adaptive_integration_grid(ne, nlam)
ee = where(ee <= atleast_2d(a), atleast_2d(a), ee)
ne = ee.shape[0]
ll = tile(l, (ne, 1))
print(
f"ee: - Shape: {ee.shape}\n - ee[::50, {nlam//2}]: {ee[::50, nlam//2]}"
)
print(
f"ll: - Shape: {ll.shape}\n - ll[::50, {nlam//2}]: {ll[::50, nlam//2]}"
)
### Construct a standard linear integration grid
nelin = 10000
nlamlin = 21
eelin, lllin = energy_lambda_nrange(15.0, 6.0, 0.12, nelin, nlamlin)
print(
f"eelin: - Shape: {ee.shape}\n - ee[::{nelin//10}, {nlam//2}]: {eelin[::nelin//10, nlam//2]}"
)
print(
f"lllin: - Shape: {ll.shape}\n - ll[::{nelin//10}, {nlam//2}]: {lllin[::nelin//10, nlam//2]}"
)
### perform correction calculation
from time import time
startt = time()
adaptcorr = decf.calc(ee, ll)
intermedt = time()
lincorr = decf.calc(eelin, lllin)
stopt = time()
print(f"Adaptive integration took: {intermedt - startt:.6f}")
print(f"Adaptive grid correction value: {adaptcorr:.6f}")
print(f"Linear integration took : {stopt - intermedt:.6f}")
print(f"Linear grid correction value : {lincorr:.6f}")