Changeset 052a5f8d in sasview


Ignore:
Timestamp:
Mar 31, 2019 9:12:40 AM (5 months ago)
Author:
GitHub <noreply@…>
Parents:
6d7b252b (diff), ffe5345 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
git-author:
gonzalezma <gonzalezm@…> (03/31/19 09:12:40)
git-committer:
GitHub <noreply@…> (03/31/19 09:12:40)
Message:

Merge ffe53450587fd1bfa1129defd4854e473ed6bb4b into 6d7b252bf3722c053065645b1afe65424979127f

Location:
src/sas
Files:
3 added
5 edited

Legend:

Unmodified
Added
Removed
  • src/sas/sascalc/fit/pagestate.py

    re090ba90 rffe5345  
    491491        """ 
    492492        for item in list: 
    493             rep += "parameter name: %s \n" % str(item[1]) 
     493            if str(item[1][-6:]) == '.width': 
     494                par = str(item[1][:-6]) 
     495                pd_type = self.model.dispersion[par]['type'] 
     496                npts = self.model.dispersion[par]['npts'] 
     497                nsigmas = self.model.dispersion[par]['nsigmas'] 
     498                dist_str = str(item[1])  
     499                dist_str += '(' + str(pd_type)  
     500                dist_str += '; points = ' + str(npts)  
     501                dist_str += '; sigmas = ' + str(nsigmas) + ')'  
     502                rep += "parameter name: %s \n" % dist_str 
     503            else: 
     504                rep += "parameter name: %s \n" % str(item[1]) 
    494505            rep += "value: %s\n" % str(item[2]) 
    495506            rep += "selected: %s\n" % str(item[0]) 
  • src/sas/sasgui/perspectives/fitting/media/fitting.rst

    rc926a97 r332c10d  
    1717   Smearing Functions <resolution> 
    1818 
     19   Fitting Models with Structure Factors <fitting_sq> 
     20 
     21   Writing a Plugin Model <plugin> 
     22 
    1923   Polarisation/Magnetic Scattering <magnetism/magnetism> 
    20     
     24 
    2125   Oriented Particles <orientation/orientation> 
    2226 
     
    2731   Fitting SESANS Data <sesans/sesans_fitting> 
    2832 
    29    Writing a Plugin Model <plugin> 
    30  
    3133   Computations with a GPU <gpu_setup> 
    3234 
  • src/sas/sasgui/perspectives/fitting/media/fitting_help.rst

    r9258c43c r6d7b252b  
    4242*  *Ellipsoid* - ellipsoidal shapes (oblate,prolate, core shell, etc) 
    4343*  *Parellelepiped* - as the name implies 
    44 *  *Sphere* - sheroidal shapes (sphere, core multishell, vesicle, etc) 
     44*  *Sphere* - spheroidal shapes (sphere, core multishell, vesicle, etc) 
    4545*  *Lamellae* - lamellar shapes (lamellar, core shell lamellar, stacked 
    4646   lamellar, etc) 
     
    6161on the *Description* button to the right. 
    6262 
     63Product Models 
     64^^^^^^^^^^^^^^ 
     65 
     66.. figure:: p_and_s_buttons.png 
     67 
     68S(Q) models can be combined with models in the other categories to generate 
     69what SasView calls "product models". See :ref:`Product_Models` for more 
     70information. 
     71 
    6372Show 1D/2D 
    6473^^^^^^^^^^ 
     
    119128 
    120129For a complete list of all the library models available in SasView, see 
    121 the `Model Documentation <../../../index.html>`_ . 
     130the `Model Documentation <../../../sasgui/perspectives/fitting/models/index.html>`_ . 
    122131 
    123132It is also possible to add your own models. 
     
    338347These optimisers form the *Bumps* package written by P Kienzle. For more information 
    339348on each optimiser, see the :ref:`Fitting_Documentation`. 
     349 
     350.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     351 
     352Fitting Integer Parameters 
     353-------------------------- 
     354 
     355Most of the parameters in SasView models will naturally take floating point (decimal)  
     356values, but there are some parameters which can only have integer values. Examples  
     357include, but are not limited to, the number of shells in a multilayer vesicle, the  
     358number of beads in a pearl necklace, the number of arms of a star polymer, and so on. 
     359Wherever possible/recognised, the integer nature of a parameter is specified in the  
     360respective model documentation and/or parameter table, so read the documentation  
     361carefully! 
     362 
     363Integer parameters must be fitted with care. 
     364 
     365Start with your best possible guess for the value of the parameter. And using  
     366*a priori* knowledge, fix as many of the other parameters as possible. 
     367  
     368The SasView optimizers treat integer parameters internally as floating point  
     369numbers, but the values presented to the user are truncated or rounded, as  
     370appropriate. 
     371 
     372In most instances integer parameters will probably be greater than zero. A good  
     373policy in such cases is to use a constraint to enforce this. 
     374 
     375Because an integer parameter should, by definition, only move in integer steps,  
     376problems may be encountered if the optimizer step size is too small. Similarly,  
     377be **very careful** about applying polydispersity to integer parameters. 
     378 
     379The Levenberg-Marquardt and Quasi-Newton BFGS (and other derivative-based)  
     380optimizers are probably best avoided for fitting models with integer parameters. 
    340381 
    341382.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
  • src/sas/sasview/test/README.txt

    r914ba0a r1cf0fc0  
    1 Test data sets are included as a convenience to our users. The data sets are organized based on their data structure; 1D data (ie, I(Q)), 2D data (ie, I(Qx,Qy)), coordinate data (eg, PDB files), image data (eg, TIFF files), SasView saved states, SESANS data, and data in formats that are not yet implemented but which are in the works for future releases. 
     1Test data sets are included as a convenience to our users. The data sets are 
     2organized based on their data structure; 1D data (ie, I(Q)), 2D data 
     3(ie, I(Qx,Qy)), coordinate data (eg, PDB files), image data 
     4(eg, TIFF files), SasView saved states, SESANS data, and data in formats that 
     5are not yet implemented but which are in the works for future releases. 
    26 
    3 1D data sets EITHER a) have at least two columns of data with I(abs. units) on the y-axis and Q on the x-axis, OR b) have I and Q in separate files. Data in the latter format (/convertible_files) need to be converted to a single file format with the File Converter tool before SasView will analyse them. 
     71D data sets EITHER a) have at least two columns of data with I(abs. units) on 
     8the y-axis and Q on the x-axis, OR b) have I and Q in separate files. Data in 
     9the latter format (/convertible_files) need to be converted to a single file 
     10format with the File Converter tool before SasView will analyse them. 
    411 
    5 2D data sets are data sets that give the deduced intensity for each detector pixel. Depending on the file extension, uncertainty and metadata may also be available. 
     122D data sets are data sets that give the deduced intensity for each detector 
     13pixel. Depending on the file extension, uncertainty and metadata may also be 
     14available. 
    615 
    7 Coordinate data sets are designed to be read by the Generic Scattering Calculator tool. 
     16Coordinate data sets are designed to be read by the Generic Scattering 
     17Calculator tool. 
    818 
    919Image data sets are designed to be read by the Image Viewer tool. 
    1020 
    11 Save states are projects and analyses saved by the SASVIEW program. A single analysis file contains the data and parameters for a single fit (.fit), p(r) inversion (.pr), or invariant calculation (.inv). A project file (.svs) contains the results for every active analysis. 
     21Save states are projects and analyses saved by the SASVIEW program. A single 
     22analysis file contains the data and parameters for a single fit (.fit), p(r) 
     23inversion (.pr), or invariant calculation (.inv). A project file (.svs) 
     24contains the results for every active analysis. 
    1225 
    13 SESANS data sets primarily contain the neutron polarisation as a function of the spin-echo length. 
     26SESANS data sets primarily contain the neutron polarisation as a function of 
     27the spin-echo length. 
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