Changes in / [a0ebc96:535fee6] in sasmodels
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example/oriented_usans.py
rea75043 r1cd24b4 19 19 scale=0.08, background=0, 20 20 sld=.291, sld_solvent=7.105, 21 r _polar=1800, r_polar_pd=0.222296, r_polar_pd_n=0,22 r _equatorial=2600, r_equatorial_pd=0.28, r_equatorial_pd_n=0,21 radius_polar=1800, radius_polar_pd=0.222296, radius_polar_pd_n=0, 22 radius_equatorial=2600, radius_equatorial_pd=0.28, radius_equatorial_pd_n=0, 23 23 theta=60, theta_pd=0, theta_pd_n=0, 24 24 phi=60, phi_pd=0, phi_pd_n=0, … … 26 26 27 27 # SET THE FITTING PARAMETERS 28 model.r _polar.range(1000, 10000)29 model.r _equatorial.range(1000, 10000)28 model.radius_polar.range(1000, 10000) 29 model.radius_equatorial.range(1000, 10000) 30 30 model.theta.range(0, 360) 31 31 model.phi.range(0, 360) -
sasmodels/data.py
ra769b54 r09e9e13 450 450 if view is 'log': 451 451 mtheory[mtheory <= 0] = masked 452 plt.plot(data.x, scale*mtheory, '-' , hold=True)452 plt.plot(data.x, scale*mtheory, '-') 453 453 all_positive = all_positive and (mtheory > 0).all() 454 454 some_present = some_present or (mtheory.count() > 0) … … 457 457 plt.ylim(*limits) 458 458 459 plt.xscale('linear' if not some_present or non_positive_x else view) 459 plt.xscale('linear' if not some_present or non_positive_x 460 else view if view is not None 461 else 'log') 460 462 plt.yscale('linear' 461 463 if view == 'q4' or not some_present or not all_positive 462 else view) 464 else view if view is not None 465 else 'log') 463 466 plt.xlabel("$q$/A$^{-1}$") 464 467 plt.ylabel('$I(q)$') 468 title = ("data and model" if use_theory and use_data 469 else "data" if use_data 470 else "model") 471 plt.title(title) 465 472 466 473 if use_calc: … … 482 489 if num_plots > 1: 483 490 plt.subplot(1, num_plots, use_calc + 2) 484 plt.plot(data.x, mresid, ' -')491 plt.plot(data.x, mresid, '.') 485 492 plt.xlabel("$q$/A$^{-1}$") 486 493 plt.ylabel('residuals') 487 plt.xscale('linear' if not some_present or non_positive_x else view) 494 plt.xscale('linear') 495 plt.title('(model - Iq)/dIq') 488 496 489 497 … … 512 520 if theory is not None: 513 521 if is_tof: 514 plt.plot(data.x, np.log(theory)/(data.lam*data.lam), '-' , hold=True)522 plt.plot(data.x, np.log(theory)/(data.lam*data.lam), '-') 515 523 else: 516 plt.plot(data.x, theory, '-' , hold=True)524 plt.plot(data.x, theory, '-') 517 525 if limits is not None: 518 526 plt.ylim(*limits) -
sasmodels/models/onion.py
r925ad6e rbccb40f 1 1 r""" 2 2 This model provides the form factor, $P(q)$, for a multi-shell sphere where 3 the scattering length density (SLD) of theeach shell is described by an3 the scattering length density (SLD) of each shell is described by an 4 4 exponential, linear, or constant function. The form factor is normalized by 5 5 the volume of the sphere where the SLD is not identical to the SLD of the … … 142 142 143 143 For $A = 0$, the exponential function has no dependence on the radius (so that 144 $\rho_\text{out}$ is ignored this case) and becomes flat. We set the constant144 $\rho_\text{out}$ is ignored in this case) and becomes flat. We set the constant 145 145 to $\rho_\text{in}$ for convenience, and thus the form factor contributed by 146 146 the shells is … … 346 346 # flat shell 347 347 z.append(z_current + thickness[k]) 348 rho.append(sld_ out[k])348 rho.append(sld_in[k]) 349 349 else: 350 350 # exponential shell … … 357 357 z.append(z_current+z_shell) 358 358 rho.append(slope*exp(A[k]*z_shell/thickness[k]) + const) 359 359 360 360 # add in the solvent 361 361 z.append(z[-1])
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