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| """ | |
| Convert models to and from sasview. | |
| """ | |
| import warnings | |
| # List of models which SasView versions don't contain the explicit 'scale' argument. | |
| # When converting such a model, please update this list. | |
| MODELS_WITHOUT_SCALE = [ | |
| 'teubner_strey', | |
| 'broad_peak', | |
| 'two_lorentzian', | |
| 'gel_fit', | |
| 'gauss_lorentz_gel', | |
| 'be_polyelectrolyte', | |
| 'correlation_length', | |
| ] | |
| # List of models which SasView versions don't contain the explicit 'background' argument. | |
| # When converting such a model, please update this list. | |
| MODELS_WITHOUT_BACKGROUND = [ | |
| 'guinier', | |
| ] | |
| PD_DOT = [ | |
| ("", ""), | |
| ("_pd", ".width"), | |
| ("_pd_n", ".npts"), | |
| ("_pd_nsigma", ".nsigmas"), | |
| ("_pd_type", ".type"), | |
| ] | |
| def _convert_pars(pars, mapping): | |
| """ | |
| Rename the parameters and any associated polydispersity attributes. | |
| """ | |
| newpars = pars.copy() | |
| for new, old in mapping.items(): | |
| if old == new: continue | |
| for pd, dot in PD_DOT: | |
| if old+dot in newpars: | |
| if new is not None: | |
| newpars[new+pd] = pars[old+dot] | |
| del newpars[old+dot] | |
| return newpars | |
| def _rescale_sld(pars): | |
| """ | |
| rescale all sld parameters in the new model definition by 1e6 so the | |
| numbers are nicer. Relies on the fact that all sld parameters in the | |
| new model definition end with sld. | |
| """ | |
| return dict((p, (v*1e6 if p.endswith('sld') else v)) | |
| for p, v in pars.items()) | |
| def convert_model(name, pars): | |
| """ | |
| Convert model from old style parameter names to new style. | |
| """ | |
| _, _ = name, pars # lint | |
| raise NotImplementedError | |
| # need to load all new models in order to determine old=>new | |
| # model name mapping | |
| def _unscale_sld(pars): | |
| """ | |
| rescale all sld parameters in the new model definition by 1e6 so the | |
| numbers are nicer. Relies on the fact that all sld parameters in the | |
| new model definition end with sld. | |
| """ | |
| return dict((p, (v*1e-6 if p.endswith('sld') else v)) | |
| for p, v in pars.items()) | |
| def _remove_pd(pars, key, name): | |
| """ | |
| Remove polydispersity from the parameter list. | |
| Note: operates in place | |
| """ | |
| # Bumps style parameter names | |
| pd = pars.pop(key+".width", 0.0) | |
| pd_n = pars.pop(key+".npts", 0) | |
| if pd != 0.0 and pd_n != 0: | |
| warnings.warn("parameter %s not polydisperse in sasview %s"%(key, name)) | |
| pars.pop(key+".nsigmas", None) | |
| pars.pop(key+".type", None) | |
| return pars | |
| def _revert_pars(pars, mapping): | |
| """ | |
| Rename the parameters and any associated polydispersity attributes. | |
| """ | |
| newpars = pars.copy() | |
| for new, old in mapping.items(): | |
| for pd, dot in PD_DOT: | |
| if old and old+pd == new+dot: | |
| continue | |
| if new+pd in newpars: | |
| if old is not None: | |
| newpars[old+dot] = pars[new+pd] | |
| del newpars[new+pd] | |
| for k in list(newpars.keys()): | |
| for pd, dot in PD_DOT[1:]: # skip "" => "" | |
| if k.endswith(pd): | |
| newpars[k[:-len(pd)]+dot] = newpars[k] | |
| del newpars[k] | |
| return newpars | |
| def revert_model(model_definition, pars): | |
| """ | |
| Convert model from new style parameter names to old style. | |
| """ | |
| mapping = model_definition.oldpars | |
| oldname = model_definition.oldname | |
| oldpars = _revert_pars(_unscale_sld(pars), mapping) | |
| # Note: update compare.constrain_pars to match | |
| name = model_definition.name | |
| if name in MODELS_WITHOUT_SCALE: | |
| if oldpars.pop('scale', 1.0) != 1.0: | |
| warnings.warn("parameter scale not used in sasview %s"%name) | |
| elif name in MODELS_WITHOUT_BACKGROUND: | |
| if oldpars.pop('background', 0.0) != 0.0: | |
| warnings.warn("parameter background not used in sasview %s"%name) | |
| elif getattr(model_definition, 'category', None) == 'structure-factor': | |
| if oldpars.pop('scale', 1.0) != 1.0: | |
| warnings.warn("parameter scale not used in sasview %s"%name) | |
| if oldpars.pop('background', 0.0) != 0.0: | |
| warnings.warn("parameter background not used in sasview %s"%name) | |
| elif name == 'pearl_necklace': | |
| _remove_pd(oldpars, 'num_pearls', name) | |
| _remove_pd(oldpars, 'thick_string', name) | |
| elif name == 'rpa': | |
| # convert scattering lengths from femtometers to centimeters | |
| for p in "La", "Lb", "Lc", "Ld": | |
| if p in oldpars: oldpars[p] *= 1e-13 | |
| return oldname, oldpars | |
| def constrain_new_to_old(model_definition, pars): | |
| """ | |
| Restrict parameter values to those that will match sasview. | |
| """ | |
| # Note: update convert.revert_model to match | |
| name = model_definition.name | |
| if name in MODELS_WITHOUT_SCALE: | |
| pars['scale'] = 1 | |
| elif name in MODELS_WITHOUT_BACKGROUND: | |
| pars['background'] = 0 | |
| elif name == 'pearl_necklace': | |
| pars['string_thickness_pd_n'] = 0 | |
| pars['number_of_pearls_pd_n'] = 0 | |
| elif name == 'rpa': | |
| pars['case_num'] = int(pars['case_num']) | |
| elif getattr(model_definition, 'category', None) == 'structure-factor': | |
| pars['scale'], pars['background'] = 1, 0 | |