[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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[97cb037] | 6 | # List of models which SasView versions don't contain the explicit 'scale' argument. |
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| 7 | # When converting such a model, please update this list. |
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| 8 | MODELS_WITHOUT_SCALE = [ |
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| 9 | 'teubner_strey', |
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| 10 | 'broad_peak', |
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| 11 | 'two_lorentzian', |
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| 12 | 'gel_fit', |
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[29da213] | 13 | 'gauss_lorentz_gel', |
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[97cb037] | 14 | 'be_polyelectrolyte', |
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[5054e80] | 15 | 'correlation_length', |
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[97cb037] | 16 | ] |
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| 17 | |
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| 18 | # List of models which SasView versions don't contain the explicit 'background' argument. |
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| 19 | # When converting such a model, please update this list. |
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| 20 | MODELS_WITHOUT_BACKGROUND = [ |
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| 21 | 'guinier', |
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| 22 | ] |
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| 23 | |
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[9a66e65] | 24 | PD_DOT = [ |
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| 25 | ("", ""), |
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| 26 | ("_pd", ".width"), |
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| 27 | ("_pd_n", ".npts"), |
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| 28 | ("_pd_nsigma", ".nsigmas"), |
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| 29 | ("_pd_type", ".type"), |
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| 30 | ] |
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| 31 | def _convert_pars(pars, mapping): |
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[5d4777d] | 32 | """ |
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| 33 | Rename the parameters and any associated polydispersity attributes. |
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| 34 | """ |
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| 35 | newpars = pars.copy() |
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[9a66e65] | 36 | for new, old in mapping.items(): |
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[f4cf580] | 37 | if old == new: continue |
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[9a66e65] | 38 | for pd, dot in PD_DOT: |
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| 39 | if old+dot in newpars: |
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[fd1c792] | 40 | if new is not None: |
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[9a66e65] | 41 | newpars[new+pd] = pars[old+dot] |
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| 42 | del newpars[old+dot] |
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[5d4777d] | 43 | return newpars |
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| 44 | |
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| 45 | def _rescale_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*1e6 if p.endswith('sld') else v)) |
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[d15a908] | 52 | for p, v in pars.items()) |
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[5d4777d] | 53 | |
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| 54 | def convert_model(name, pars): |
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| 55 | """ |
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| 56 | Convert model from old style parameter names to new style. |
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| 57 | """ |
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[d15a908] | 58 | _, _ = name, pars # lint |
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[a503bfd] | 59 | raise NotImplementedError |
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| 60 | # need to load all new models in order to determine old=>new |
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| 61 | # model name mapping |
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[5d4777d] | 62 | |
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| 63 | def _unscale_sld(pars): |
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| 64 | """ |
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| 65 | rescale all sld parameters in the new model definition by 1e6 so the |
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| 66 | numbers are nicer. Relies on the fact that all sld parameters in the |
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| 67 | new model definition end with sld. |
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| 68 | """ |
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| 69 | return dict((p, (v*1e-6 if p.endswith('sld') else v)) |
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[d15a908] | 70 | for p, v in pars.items()) |
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[5d4777d] | 71 | |
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[9a66e65] | 72 | def _remove_pd(pars, key, name): |
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| 73 | """ |
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| 74 | Remove polydispersity from the parameter list. |
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| 75 | |
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| 76 | Note: operates in place |
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| 77 | """ |
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| 78 | # Bumps style parameter names |
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| 79 | pd = pars.pop(key+".width", 0.0) |
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| 80 | pd_n = pars.pop(key+".npts", 0) |
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| 81 | if pd != 0.0 and pd_n != 0: |
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| 82 | warnings.warn("parameter %s not polydisperse in sasview %s"%(key, name)) |
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| 83 | pars.pop(key+".nsigmas", None) |
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| 84 | pars.pop(key+".type", None) |
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| 85 | return pars |
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| 86 | |
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| 87 | def _revert_pars(pars, mapping): |
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| 88 | """ |
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| 89 | Rename the parameters and any associated polydispersity attributes. |
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| 90 | """ |
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| 91 | newpars = pars.copy() |
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[716abe0] | 92 | |
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[9a66e65] | 93 | for new, old in mapping.items(): |
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| 94 | for pd, dot in PD_DOT: |
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[6458608] | 95 | if old and old+pd == new+dot: |
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[9a66e65] | 96 | continue |
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| 97 | if new+pd in newpars: |
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| 98 | if old is not None: |
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| 99 | newpars[old+dot] = pars[new+pd] |
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| 100 | del newpars[new+pd] |
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[716abe0] | 101 | for k in list(newpars.keys()): |
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| 102 | for pd, dot in PD_DOT[1:]: # skip "" => "" |
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| 103 | if k.endswith(pd): |
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| 104 | newpars[k[:-len(pd)]+dot] = newpars[k] |
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| 105 | del newpars[k] |
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[9a66e65] | 106 | return newpars |
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| 107 | |
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[aa4946b] | 108 | def revert_model(model_definition, pars): |
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[5d4777d] | 109 | """ |
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| 110 | Convert model from new style parameter names to old style. |
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| 111 | """ |
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[aa4946b] | 112 | mapping = model_definition.oldpars |
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| 113 | oldname = model_definition.oldname |
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[9a66e65] | 114 | oldpars = _revert_pars(_unscale_sld(pars), mapping) |
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| 115 | |
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| 116 | # Note: update compare.constrain_pars to match |
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| 117 | name = model_definition.name |
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[97cb037] | 118 | if name in MODELS_WITHOUT_SCALE: |
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[9a66e65] | 119 | if oldpars.pop('scale', 1.0) != 1.0: |
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| 120 | warnings.warn("parameter scale not used in sasview %s"%name) |
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[97cb037] | 121 | elif name in MODELS_WITHOUT_BACKGROUND: |
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[9a66e65] | 122 | if oldpars.pop('background', 0.0) != 0.0: |
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| 123 | warnings.warn("parameter background not used in sasview %s"%name) |
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| 124 | elif getattr(model_definition, 'category', None) == 'structure-factor': |
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| 125 | if oldpars.pop('scale', 1.0) != 1.0: |
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| 126 | warnings.warn("parameter scale not used in sasview %s"%name) |
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| 127 | if oldpars.pop('background', 0.0) != 0.0: |
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| 128 | warnings.warn("parameter background not used in sasview %s"%name) |
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| 129 | elif name == 'pearl_necklace': |
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| 130 | _remove_pd(oldpars, 'num_pearls', name) |
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| 131 | _remove_pd(oldpars, 'thick_string', name) |
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[82c299f] | 132 | elif name == 'rpa': |
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| 133 | # convert scattering lengths from femtometers to centimeters |
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| 134 | for p in "La", "Lb", "Lc", "Ld": |
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| 135 | if p in oldpars: oldpars[p] *= 1e-13 |
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[9a66e65] | 136 | |
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[5d4777d] | 137 | return oldname, oldpars |
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| 138 | |
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[9a66e65] | 139 | def constrain_new_to_old(model_definition, pars): |
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| 140 | """ |
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| 141 | Restrict parameter values to those that will match sasview. |
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| 142 | """ |
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| 143 | # Note: update convert.revert_model to match |
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| 144 | name = model_definition.name |
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[97cb037] | 145 | if name in MODELS_WITHOUT_SCALE: |
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[9a66e65] | 146 | pars['scale'] = 1 |
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[97cb037] | 147 | elif name in MODELS_WITHOUT_BACKGROUND: |
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[9a66e65] | 148 | pars['background'] = 0 |
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| 149 | elif name == 'pearl_necklace': |
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| 150 | pars['string_thickness_pd_n'] = 0 |
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| 151 | pars['number_of_pearls_pd_n'] = 0 |
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[82c299f] | 152 | elif name == 'rpa': |
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| 153 | pars['case_num'] = int(pars['case_num']) |
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[9a66e65] | 154 | elif getattr(model_definition, 'category', None) == 'structure-factor': |
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| 155 | pars['scale'], pars['background'] = 1, 0 |
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| 156 | |
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