def test_ex_ridme_fit():
"Check the RIDME experimental model in fitting."
experiment = ex_ridme(tau1,tau2, pathways=[1,2,3])
Vmodel = dipolarmodel(tridme,r,Bmodel=bg_hom3d,experiment=experiment)
result = fit(Vmodel,Vridme,nonlin_tol=1e-3)
assert np.allclose(Vridme,result.model,atol=1e-2) and ovl(result.P/1e5,Pr)>0.975
def test_ex_sifter_fit():
"Check the SIFTER experimental model in fitting."
experiment = ex_sifter(tau1,tau2)
Vmodel = dipolarmodel(tsifter,r,Bmodel=bg_hom3d,experiment=experiment)
result = fit(Vmodel,Vsifter,nonlin_tol=1e-3)
assert np.allclose(Vsifter,result.model,atol=1e-2) and ovl(result.P/1e5,Pr)>0.975
def test_ex_fwd5pdeer_fit():
"Check the forward 5-pulse DEER experimental model in fitting."
experiment = ex_fwd5pdeer(tau1,tau2,tau3, pathways=[1,2,3])
Vmodel = dipolarmodel(tdeer,r,Bmodel=bg_hom3d,experiment=experiment)
result = fit(Vmodel,Vfwd5pdeer,nonlin_tol=1e-3)
assert np.allclose(Vfwd5pdeer,result.model,atol=1e-2) and ovl(result.P/1e5,Pr)>0.975
def test_ex_4pdeer_fit():
"Check the 4-pulse DEER experimental model."
experiment = ex_4pdeer(tau1,tau2, pathways=[1,2])
Vmodel = dipolarmodel(tdeer,r,Bmodel=bg_hom3d,experiment=experiment)
result = fit(Vmodel,V4pdeer,nonlin_tol=1e-3)
assert np.allclose(V4pdeer,result.model,atol=1e-2) and ovl(result.P/1e5,Pr)>0.975
def test_fit_Pnonparametric():
"Check that the model with one dipolar pathway is correct"
Vmodel = dipolarmodel(t,r,Bmodel=bg_hom3d,npathways=1)
result = fit(Vmodel,V1path,nonlin_tol=1e-5)
assert ovl(result.P/1e5,Pr)>0.975
def test_ex_5pdeer_fit():
"Check the 5-pulse DEER experimental model in fitting."
experiment = ex_5pdeer(tau1, tau2, tau3)
Vmodel = dipolarmodel(t,
r,
Bmodel=bg_hom3d,
npathways=2,
experiment=experiment)
result = fit(Vmodel, V5pulse, nonlin_tol=1e-3)
assert np.allclose(V5pulse, result.model,
atol=1e-2) and ovl(result.P / 1e5, Pr) > 0.975
