Changeset 109d963 in sasmodels


Ignore:
Timestamp:
Jul 31, 2017 3:59:10 PM (7 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
d49ca5c
Parents:
48462b0
Message:

set up random polydispersity; usually sets about 15% pd on a single parameter, can could add pd to 0, 1, 2, or 3 parameters

File:
1 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/compare.py

    r48462b0 r109d963  
    318318    return np.random.uniform(*limits) 
    319319 
    320  
    321 def randomize_pars(model_info, pars, seed=None): 
    322     # type: (ModelInfo, ParameterSet, int) -> ParameterSet 
     320def _random_pd(model_info, pars): 
     321    pd = [p for p in model_info.parameters.kernel_parameters if p.polydisperse] 
     322    pd_volume = [] 
     323    pd_oriented = [] 
     324    for p in pd: 
     325        if p.type == 'orientation': 
     326            pd_oriented.append(p.name) 
     327        elif p.length_control is not None: 
     328            n = pars.get(p.length_control, 1) 
     329            pd_volume.extend(p.name+str(k+1) for k in range(n)) 
     330        elif p.length > 1: 
     331            pd_volume.extend(p.name+str(k+1) for k in range(p.length)) 
     332        else: 
     333            pd_volume.append(p.name) 
     334    u = np.random.rand() 
     335    n = len(pd_volume) 
     336    if u < 0.01 or n < 1: 
     337        pass  # 1% chance of no polydispersity 
     338    elif u < 0.86 or n < 2: 
     339        pars[np.random.choice(pd_volume)+"_pd_n"] = 35 
     340    elif u < 0.99 or n < 3: 
     341        choices = np.random.choice(len(pd_volume), size=2) 
     342        pars[pd_volume[choices[0]]+"_pd_n"] = 25 
     343        pars[pd_volume[choices[1]]+"_pd_n"] = 10 
     344    else: 
     345        choices = np.random.choice(len(pd_volume), size=3) 
     346        pars[pd_volume[choices[0]]+"_pd_n"] = 25 
     347        pars[pd_volume[choices[1]]+"_pd_n"] = 10 
     348        pars[pd_volume[choices[2]]+"_pd_n"] = 5 
     349    if pd_oriented: 
     350        pars['theta_pd_n'] = 20 
     351        if np.random.rand() < 0.1: 
     352            pars['phi_pd_n'] = 5 
     353        if np.random.rand() < 0.1: 
     354            pars['psi_pd_n'] = 5 
     355 
     356    ## Show selected polydispersity 
     357    #for name, value in pars.items(): 
     358    #    if name.endswith('_pd_n') and value > 0: 
     359    #        print(name, value, pars.get(name[:-5], 0), pars.get(name[:-2], 0)) 
     360 
     361 
     362def randomize_pars(model_info, pars): 
     363    # type: (ModelInfo, ParameterSet) -> ParameterSet 
    323364    """ 
    324365    Generate random values for all of the parameters. 
     
    334375    if model_info.random is not None: 
    335376        random_pars.update(model_info.random()) 
    336  
     377    _random_pd(model_info, random_pars) 
    337378    return random_pars 
     379 
    338380 
    339381def constrain_pars(model_info, pars): 
     
    348390    Warning: this updates the *pars* dictionary in place. 
    349391    """ 
     392    # TODO: move the model specific code to the individual models 
    350393    name = model_info.id 
    351394    # if it is a product model, then just look at the form factor since 
     
    446489    pars = pars.copy() 
    447490    for p in pars: 
    448         if p.endswith("_pd_n"): pars[p] = 0 
     491        if p.endswith("_pd_n"): 
     492            pars[p] = 0 
    449493    return pars 
    450494 
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