[5d4777d] | 1 | """ |
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| 2 | Convert models to and from sasview. |
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| 3 | """ |
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[9a66e65] | 4 | import warnings |
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[5d4777d] | 5 | |
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[9a66e65] | 6 | PD_DOT = [ |
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| 7 | ("", ""), |
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| 8 | ("_pd", ".width"), |
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| 9 | ("_pd_n", ".npts"), |
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| 10 | ("_pd_nsigma", ".nsigmas"), |
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| 11 | ("_pd_type", ".type"), |
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| 12 | ] |
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| 13 | def _convert_pars(pars, mapping): |
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[5d4777d] | 14 | """ |
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| 15 | Rename the parameters and any associated polydispersity attributes. |
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| 16 | """ |
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| 17 | newpars = pars.copy() |
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[9a66e65] | 18 | for new, old in mapping.items(): |
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[f4cf580] | 19 | if old == new: continue |
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[9a66e65] | 20 | for pd, dot in PD_DOT: |
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| 21 | if old+dot in newpars: |
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[fd1c792] | 22 | if new is not None: |
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[9a66e65] | 23 | newpars[new+pd] = pars[old+dot] |
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| 24 | del newpars[old+dot] |
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[5d4777d] | 25 | return newpars |
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| 26 | |
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| 27 | def _rescale_sld(pars): |
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| 28 | """ |
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| 29 | rescale all sld parameters in the new model definition by 1e6 so the |
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| 30 | numbers are nicer. Relies on the fact that all sld parameters in the |
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| 31 | new model definition end with sld. |
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| 32 | """ |
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| 33 | return dict((p, (v*1e6 if p.endswith('sld') else v)) |
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| 34 | for p,v in pars.items()) |
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| 35 | |
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| 36 | def convert_model(name, pars): |
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| 37 | """ |
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| 38 | Convert model from old style parameter names to new style. |
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| 39 | """ |
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[3c56da87] | 40 | _,_ = name,pars # lint |
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[a503bfd] | 41 | raise NotImplementedError |
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| 42 | # need to load all new models in order to determine old=>new |
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| 43 | # model name mapping |
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[5d4777d] | 44 | |
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| 45 | def _unscale_sld(pars): |
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| 46 | """ |
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| 47 | rescale all sld parameters in the new model definition by 1e6 so the |
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| 48 | numbers are nicer. Relies on the fact that all sld parameters in the |
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| 49 | new model definition end with sld. |
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| 50 | """ |
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| 51 | return dict((p, (v*1e-6 if p.endswith('sld') else v)) |
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| 52 | for p,v in pars.items()) |
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| 53 | |
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[9a66e65] | 54 | def _remove_pd(pars, key, name): |
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| 55 | """ |
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| 56 | Remove polydispersity from the parameter list. |
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| 57 | |
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| 58 | Note: operates in place |
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| 59 | """ |
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| 60 | # Bumps style parameter names |
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| 61 | pd = pars.pop(key+".width", 0.0) |
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| 62 | pd_n = pars.pop(key+".npts", 0) |
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| 63 | if pd != 0.0 and pd_n != 0: |
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| 64 | warnings.warn("parameter %s not polydisperse in sasview %s"%(key, name)) |
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| 65 | pars.pop(key+".nsigmas", None) |
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| 66 | pars.pop(key+".type", None) |
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| 67 | return pars |
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| 68 | |
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| 69 | def _revert_pars(pars, mapping): |
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| 70 | """ |
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| 71 | Rename the parameters and any associated polydispersity attributes. |
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| 72 | """ |
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| 73 | newpars = pars.copy() |
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[716abe0] | 74 | |
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[9a66e65] | 75 | for new, old in mapping.items(): |
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| 76 | for pd, dot in PD_DOT: |
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[6458608] | 77 | if old and old+pd == new+dot: |
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[9a66e65] | 78 | continue |
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| 79 | if new+pd in newpars: |
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| 80 | if old is not None: |
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| 81 | newpars[old+dot] = pars[new+pd] |
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| 82 | del newpars[new+pd] |
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[716abe0] | 83 | for k in list(newpars.keys()): |
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| 84 | for pd, dot in PD_DOT[1:]: # skip "" => "" |
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| 85 | if k.endswith(pd): |
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| 86 | newpars[k[:-len(pd)]+dot] = newpars[k] |
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| 87 | del newpars[k] |
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[9a66e65] | 88 | return newpars |
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| 89 | |
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[aa4946b] | 90 | def revert_model(model_definition, pars): |
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[5d4777d] | 91 | """ |
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| 92 | Convert model from new style parameter names to old style. |
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| 93 | """ |
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[aa4946b] | 94 | mapping = model_definition.oldpars |
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| 95 | oldname = model_definition.oldname |
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[9a66e65] | 96 | oldpars = _revert_pars(_unscale_sld(pars), mapping) |
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| 97 | |
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| 98 | # Note: update compare.constrain_pars to match |
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| 99 | name = model_definition.name |
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[03582f9] | 100 | if name in ('teubner_strey', 'broad_peak', 'two_lorentzian', 'gel_fit', |
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| 101 | 'binary_hard_sphere'): |
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[9a66e65] | 102 | if oldpars.pop('scale', 1.0) != 1.0: |
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| 103 | warnings.warn("parameter scale not used in sasview %s"%name) |
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| 104 | elif name in ('guinier',): |
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| 105 | if oldpars.pop('background', 0.0) != 0.0: |
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| 106 | warnings.warn("parameter background not used in sasview %s"%name) |
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| 107 | elif getattr(model_definition, 'category', None) == 'structure-factor': |
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| 108 | if oldpars.pop('scale', 1.0) != 1.0: |
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| 109 | warnings.warn("parameter scale not used in sasview %s"%name) |
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| 110 | if oldpars.pop('background', 0.0) != 0.0: |
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| 111 | warnings.warn("parameter background not used in sasview %s"%name) |
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| 112 | elif name == 'pearl_necklace': |
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| 113 | _remove_pd(oldpars, 'num_pearls', name) |
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| 114 | _remove_pd(oldpars, 'thick_string', name) |
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[82c299f] | 115 | elif name == 'rpa': |
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| 116 | # convert scattering lengths from femtometers to centimeters |
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| 117 | for p in "La", "Lb", "Lc", "Ld": |
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| 118 | if p in oldpars: oldpars[p] *= 1e-13 |
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[9a66e65] | 119 | |
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[5d4777d] | 120 | return oldname, oldpars |
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| 121 | |
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[9a66e65] | 122 | def constrain_new_to_old(model_definition, pars): |
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| 123 | """ |
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| 124 | Restrict parameter values to those that will match sasview. |
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| 125 | """ |
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| 126 | # Note: update convert.revert_model to match |
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| 127 | name = model_definition.name |
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[30b4ddf] | 128 | if name in ('teubner_strey','broad_peak', 'two_lorentzian', 'gel_fit'): |
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[9a66e65] | 129 | pars['scale'] = 1 |
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| 130 | elif name in ('guinier',): |
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| 131 | pars['background'] = 0 |
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| 132 | elif name == 'pearl_necklace': |
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| 133 | pars['string_thickness_pd_n'] = 0 |
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| 134 | pars['number_of_pearls_pd_n'] = 0 |
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[82c299f] | 135 | elif name == 'rpa': |
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| 136 | pars['case_num'] = int(pars['case_num']) |
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[9a66e65] | 137 | elif getattr(model_definition, 'category', None) == 'structure-factor': |
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| 138 | pars['scale'], pars['background'] = 1, 0 |
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| 139 | |
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