| 1 | import numpy as np |
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| 2 | from bumps.names import * |
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| 3 | |
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| 4 | from sasmodels import bumps_model as sas |
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| 5 | kernel = sas.load_model('sphere', dtype='single') |
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| 6 | #kernel = sas.load_model('triaxial_ellipsoid', dtype='single') |
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| 7 | |
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| 8 | |
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| 9 | if True: # fix when data loader exists |
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| 10 | # from sas.dataloader.readers\ |
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| 11 | from sas.dataloader.loader import Loader |
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| 12 | loader=Loader() |
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| 13 | data=loader.load('se008724_01.ses') |
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| 14 | # data=loader.load('testsasview1.ses') |
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| 15 | |
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| 16 | data.x /=10 |
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| 17 | # print data |
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| 18 | # data = load_sesans('mydatfile.pz') |
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| 19 | # sans_data = load_sans('mysansfile.xml') |
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| 20 | |
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| 21 | else: |
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| 22 | SElength = np.linspace(0, 2400, 61) # [A] |
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| 23 | data = np.ones_like(SElength) |
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| 24 | err_data = np.ones_like(SElength)*0.03 |
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| 25 | |
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| 26 | class Sample: |
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| 27 | zacceptance = 0.1 # [A^-1] |
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| 28 | thickness = 0.2 # [cm] |
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| 29 | |
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| 30 | class SESANSData1D: |
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| 31 | #q_zmax = 0.23 # [A^-1] |
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| 32 | lam = 0.2 # [nm] |
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| 33 | x = SElength |
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| 34 | y = data |
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| 35 | dy = err_data |
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| 36 | sample = Sample() |
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| 37 | data = SESANSData1D() |
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| 38 | |
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| 39 | radius = 1000 |
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| 40 | data.Rmax = 3*radius # [A] |
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| 41 | |
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| 42 | ## Sphere parameters |
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| 43 | |
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| 44 | phi = Parameter(0.1, name="phi") |
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| 45 | model = sas.BumpsModel(data, kernel, |
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| 46 | scale=phi*(1-phi), sld=7.0, solvent_sld=1.0, radius=radius) |
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| 47 | phi.range(0.001,0.5) |
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| 48 | #model.radius.pmp(40) |
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| 49 | model.radius.range(1,10000) |
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| 50 | #model.sld.pm(5) |
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| 51 | #model.background |
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| 52 | #model.radius_pd=0 |
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| 53 | #model.radius_pd_n=0 |
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| 54 | |
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| 55 | if False: # have sans data |
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| 56 | sansmodel = sas.BumpsModel(sans_data, kernel, **model.parameters()) |
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| 57 | problem = FitProblem([model, sansmodel]) |
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| 58 | else: |
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| 59 | problem = FitProblem(model) |
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| 60 | |
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| 61 | |
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| 62 | ### Tri-Axial Ellipsoid |
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| 63 | # |
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| 64 | #phi = Parameter(0.1, name='phi') |
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| 65 | #model = sas.BumpsModel(data, kernel, |
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| 66 | # scale=phi*(1-phi), sld=7.0, solvent_sld=1.0, radius=radius) |
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| 67 | #phi.range(0.001,0.90) |
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| 68 | ##model.radius.pmp(40) |
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| 69 | #model.radius.range(100,10000) |
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| 70 | ##model.sld.pmp(5) |
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| 71 | ##model.background |
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| 72 | ##model.radius_pd=0 |
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| 73 | ##model.radius_pd_n=0 |
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| 74 | # |
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| 75 | #if False: # have sans data |
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| 76 | # sansmodel = sas.BumpsModel(sans_data, kernel, **model.parameters()) |
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| 77 | # problem = FitProblem([model, sansmodel]) |
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| 78 | #else: |
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| 79 | # problem = FitProblem(model) |
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