Changeset c724ccd in sasview for sansmodels


Ignore:
Timestamp:
Apr 12, 2010 12:31:10 PM (15 years ago)
Author:
Jae Cho <jhjcho@…>
Branches:
master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
Children:
ec658c85
Parents:
e2289b4
Message:

More models added and correction of Wrappergenerator on model parameter value precision

Location:
sansmodels/src/sans/models
Files:
20 added
39 edited

Legend:

Unmodified
Added
Removed

  • sansmodels/src/sans/models/c_extensions/HayterMSA.c

    r8b677ec rc724ccd  
    2020        //Hayer takes diameter. 
    2121        dp[0] = 2.0 * pars->effect_radius; 
    22         dp[1] = pars->charge; 
     22        dp[1] = fabs(pars->charge); 
    2323        dp[2] = pars->volfraction; 
    2424        dp[3] = pars->temperature; 

  • sansmodels/src/sans/models/c_extensions/c_models.c

    reba9885 rc724ccd  
    2626    m = Py_InitModule3("c_models", module_methods, 
    2727                       "C extension module for SANS scattering models."); 
    28          
     28 
    2929        import_array(); 
    3030        addCCylinderModel(m); 
    … …  
    3232        addCCoreShellCylinderModel(m); 
    3333        addCCoreShellModel(m); 
     34        addCCoreFourShellModel(m); 
    3435        addCEllipsoidModel(m); 
    3536        addCSphereModel(m); 
     37        addCFuzzySphereModel(m); 
    3638        addCHardsphereStructure(m); 
    3739        addCStickyHSStructure(m); 
    … …  
    4345        addCTriaxialEllipsoidModel(m); 
    4446        addCFlexibleCylinderModel(m); 
     47        addCFlexCylEllipXModel(m); 
    4548        addCStackedDisksModel(m); 
    4649        addCLamellarPSModel(m); 
    … …  
    6063        addCBinaryHSModel(m); 
    6164        addCBinaryHSPSF11Model(m); 
     65        addCPoly_GaussCoil(m); 
     66        addCFractalModel(m); 
    6267 
    6368} 

  • sansmodels/src/sans/models/c_models/CBinaryHSModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"vol_frac_ls",Py_BuildValue("d",0.100000)); 
    93         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    94         PyDict_SetItemString(self->params,"vol_frac_ss",Py_BuildValue("d",0.200000)); 
    95         PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.000006)); 
    96         PyDict_SetItemString(self->params,"ls_sld",Py_BuildValue("d",0.000003)); 
    97         PyDict_SetItemString(self->params,"ss_sld",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"s_radius",Py_BuildValue("d",25.000000)); 
    99         PyDict_SetItemString(self->params,"l_radius",Py_BuildValue("d",100.000000)); 
     92        PyDict_SetItemString(self->params,"vol_frac_ls",Py_BuildValue("d",0.10000000)); 
     93        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     94        PyDict_SetItemString(self->params,"vol_frac_ss",Py_BuildValue("d",0.20000000)); 
     95        PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.00000636)); 
     96        PyDict_SetItemString(self->params,"ls_sld",Py_BuildValue("d",0.00000350)); 
     97        PyDict_SetItemString(self->params,"ss_sld",Py_BuildValue("d",0.00000050)); 
     98        PyDict_SetItemString(self->params,"s_radius",Py_BuildValue("d",25.00000000)); 
     99        PyDict_SetItemString(self->params,"l_radius",Py_BuildValue("d",100.00000000)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CBinaryHSPSF11Model.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"vol_frac_ls",Py_BuildValue("d",0.200000)); 
    93         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    94         PyDict_SetItemString(self->params,"vol_frac_ss",Py_BuildValue("d",0.200000)); 
    95         PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.000006)); 
    96         PyDict_SetItemString(self->params,"ls_sld",Py_BuildValue("d",0.000003)); 
    97         PyDict_SetItemString(self->params,"ss_sld",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"s_radius",Py_BuildValue("d",25.000000)); 
    99         PyDict_SetItemString(self->params,"l_radius",Py_BuildValue("d",160.000000)); 
     92        PyDict_SetItemString(self->params,"vol_frac_ls",Py_BuildValue("d",0.20000000)); 
     93        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     94        PyDict_SetItemString(self->params,"vol_frac_ss",Py_BuildValue("d",0.20000000)); 
     95        PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.00000636)); 
     96        PyDict_SetItemString(self->params,"ls_sld",Py_BuildValue("d",0.00000350)); 
     97        PyDict_SetItemString(self->params,"ss_sld",Py_BuildValue("d",0.00000050)); 
     98        PyDict_SetItemString(self->params,"s_radius",Py_BuildValue("d",25.00000000)); 
     99        PyDict_SetItemString(self->params,"l_radius",Py_BuildValue("d",160.00000000)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CCoreShellCylinderModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.570000)); 
    94         PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.000001)); 
    95         PyDict_SetItemString(self->params,"thickness",Py_BuildValue("d",10.000000)); 
    96         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.000000)); 
    97         PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.000000)); 
    98         PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.000001)); 
    99         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.000000)); 
    100         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    101         PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.000004)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.57000000)); 
     94        PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.00000100)); 
     95        PyDict_SetItemString(self->params,"thickness",Py_BuildValue("d",10.00000000)); 
     96        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.00000000)); 
     97        PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.00000000)); 
     98        PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.00000100)); 
     99        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.00000000)); 
     100        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     101        PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.00000400)); 
    102102        // Initialize dispersion / averaging parameter dict 
    103103        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CCoreShellEllipsoidModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sld_core",Py_BuildValue("d",0.000002)); 
    94         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",0.000000)); 
    95         PyDict_SetItemString(self->params,"polar_shell",Py_BuildValue("d",30.000000)); 
    96         PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.000006)); 
    97         PyDict_SetItemString(self->params,"equat_shell",Py_BuildValue("d",250.000000)); 
    98         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.000000)); 
    99         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    100         PyDict_SetItemString(self->params,"equat_core",Py_BuildValue("d",200.000000)); 
    101         PyDict_SetItemString(self->params,"polar_core",Py_BuildValue("d",20.000000)); 
    102         PyDict_SetItemString(self->params,"sld_shell",Py_BuildValue("d",0.000001)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sld_core",Py_BuildValue("d",0.00000200)); 
     94        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",0.00000000)); 
     95        PyDict_SetItemString(self->params,"polar_shell",Py_BuildValue("d",30.00000000)); 
     96        PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.00000630)); 
     97        PyDict_SetItemString(self->params,"equat_shell",Py_BuildValue("d",250.00000000)); 
     98        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.00000000)); 
     99        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     100        PyDict_SetItemString(self->params,"equat_core",Py_BuildValue("d",200.00000000)); 
     101        PyDict_SetItemString(self->params,"polar_core",Py_BuildValue("d",20.00000000)); 
     102        PyDict_SetItemString(self->params,"sld_shell",Py_BuildValue("d",0.00000100)); 
    103103        // Initialize dispersion / averaging parameter dict 
    104104        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CCoreShellModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.000001)); 
    93         PyDict_SetItemString(self->params,"thickness",Py_BuildValue("d",10.000000)); 
    94         PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.000003)); 
    95         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    96         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",60.000000)); 
    97         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.000002)); 
     92        PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.00000100)); 
     93        PyDict_SetItemString(self->params,"thickness",Py_BuildValue("d",10.00000000)); 
     94        PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.00000300)); 
     95        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     96        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",60.00000000)); 
     97        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     98        PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.00000200)); 
    9999        // Initialize dispersion / averaging parameter dict 
    100100        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CCylinderModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.000004)); 
    94         PyDict_SetItemString(self->params,"cyl_theta",Py_BuildValue("d",1.000000)); 
    95         PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.000000)); 
    96         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    97         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.000000)); 
    99         PyDict_SetItemString(self->params,"cyl_phi",Py_BuildValue("d",1.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.00000400)); 
     94        PyDict_SetItemString(self->params,"cyl_theta",Py_BuildValue("d",1.00000000)); 
     95        PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.00000000)); 
     96        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000100)); 
     97        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     98        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.00000000)); 
     99        PyDict_SetItemString(self->params,"cyl_phi",Py_BuildValue("d",1.00000000)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CDiamCylFunc.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.000000)); 
    93         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.000000)); 
     92        PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.00000000)); 
     93        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.00000000)); 
    9494        // Initialize dispersion / averaging parameter dict 
    9595        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CDiamEllipFunc.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"radius_b",Py_BuildValue("d",400.000000)); 
    93         PyDict_SetItemString(self->params,"radius_a",Py_BuildValue("d",20.000000)); 
     92        PyDict_SetItemString(self->params,"radius_b",Py_BuildValue("d",400.00000000)); 
     93        PyDict_SetItemString(self->params,"radius_a",Py_BuildValue("d",20.00000000)); 
    9494        // Initialize dispersion / averaging parameter dict 
    9595        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CEllipsoidModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.570000)); 
    94         PyDict_SetItemString(self->params,"radius_b",Py_BuildValue("d",400.000000)); 
    95         PyDict_SetItemString(self->params,"radius_a",Py_BuildValue("d",20.000000)); 
    96         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.000000)); 
    97         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    98         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    99         PyDict_SetItemString(self->params,"sldEll",Py_BuildValue("d",0.000004)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.57000000)); 
     94        PyDict_SetItemString(self->params,"radius_b",Py_BuildValue("d",400.00000000)); 
     95        PyDict_SetItemString(self->params,"radius_a",Py_BuildValue("d",20.00000000)); 
     96        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.00000000)); 
     97        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000100)); 
     98        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     99        PyDict_SetItemString(self->params,"sldEll",Py_BuildValue("d",0.00000400)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CEllipticalCylinderModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.000004)); 
    94         PyDict_SetItemString(self->params,"cyl_psi",Py_BuildValue("d",0.000000)); 
    95         PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.000000)); 
    96         PyDict_SetItemString(self->params,"r_minor",Py_BuildValue("d",20.000000)); 
    97         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    98         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    99         PyDict_SetItemString(self->params,"cyl_theta",Py_BuildValue("d",1.570000)); 
    100         PyDict_SetItemString(self->params,"r_ratio",Py_BuildValue("d",1.500000)); 
    101         PyDict_SetItemString(self->params,"cyl_phi",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.00000400)); 
     94        PyDict_SetItemString(self->params,"cyl_psi",Py_BuildValue("d",0.00000000)); 
     95        PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.00000000)); 
     96        PyDict_SetItemString(self->params,"r_minor",Py_BuildValue("d",20.00000000)); 
     97        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000100)); 
     98        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     99        PyDict_SetItemString(self->params,"cyl_theta",Py_BuildValue("d",1.57000000)); 
     100        PyDict_SetItemString(self->params,"r_ratio",Py_BuildValue("d",1.50000000)); 
     101        PyDict_SetItemString(self->params,"cyl_phi",Py_BuildValue("d",0.00000000)); 
    102102        // Initialize dispersion / averaging parameter dict 
    103103        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CFlexibleCylinderModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.000006)); 
    94         PyDict_SetItemString(self->params,"length",Py_BuildValue("d",1000.000000)); 
    95         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    96         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000100)); 
    97         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.000000)); 
    98         PyDict_SetItemString(self->params,"kuhn_length",Py_BuildValue("d",100.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.00000100)); 
     94        PyDict_SetItemString(self->params,"length",Py_BuildValue("d",1000.00000000)); 
     95        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000630)); 
     96        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00010000)); 
     97        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",20.00000000)); 
     98        PyDict_SetItemString(self->params,"kuhn_length",Py_BuildValue("d",100.00000000)); 
    9999        // Initialize dispersion / averaging parameter dict 
    100100        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CGaussian.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sigma",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sigma",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.00000000)); 
    9595        // Initialize dispersion / averaging parameter dict 
    9696        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CHardsphereStructure.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.000000)); 
    93         PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.200000)); 
     92        PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.00000000)); 
     93        PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.20000000)); 
    9494        // Initialize dispersion / averaging parameter dict 
    9595        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CHayterMSAStructure.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"temperature",Py_BuildValue("d",318.160000)); 
    93         PyDict_SetItemString(self->params,"saltconc",Py_BuildValue("d",0.000000)); 
    94         PyDict_SetItemString(self->params,"dielectconst",Py_BuildValue("d",71.080000)); 
    95         PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.019200)); 
    96         PyDict_SetItemString(self->params,"charge",Py_BuildValue("d",19.000000)); 
    97         PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",20.750000)); 
     92        PyDict_SetItemString(self->params,"temperature",Py_BuildValue("d",318.16000000)); 
     93        PyDict_SetItemString(self->params,"saltconc",Py_BuildValue("d",0.00000000)); 
     94        PyDict_SetItemString(self->params,"dielectconst",Py_BuildValue("d",71.08000000)); 
     95        PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.01920000)); 
     96        PyDict_SetItemString(self->params,"charge",Py_BuildValue("d",19.00000000)); 
     97        PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",20.75000000)); 
    9898        // Initialize dispersion / averaging parameter dict 
    9999        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CHollowCylinderModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.000006)); 
    94         PyDict_SetItemString(self->params,"core_radius",Py_BuildValue("d",20.000000)); 
    95         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.570000)); 
    96         PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.000000)); 
    97         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    99         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.010000)); 
    100         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",30.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sldCyl",Py_BuildValue("d",0.00000630)); 
     94        PyDict_SetItemString(self->params,"core_radius",Py_BuildValue("d",20.00000000)); 
     95        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.57000000)); 
     96        PyDict_SetItemString(self->params,"length",Py_BuildValue("d",400.00000000)); 
     97        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.00000000)); 
     98        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000100)); 
     99        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.01000000)); 
     100        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",30.00000000)); 
    101101        // Initialize dispersion / averaging parameter dict 
    102102        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CLamellarFFHGModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"h_thickness",Py_BuildValue("d",10.000000)); 
    94         PyDict_SetItemString(self->params,"sld_tail",Py_BuildValue("d",0.000000)); 
    95         PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.000006)); 
    96         PyDict_SetItemString(self->params,"t_length",Py_BuildValue("d",15.000000)); 
    97         PyDict_SetItemString(self->params,"sld_head",Py_BuildValue("d",0.000003)); 
    98         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"h_thickness",Py_BuildValue("d",10.00000000)); 
     94        PyDict_SetItemString(self->params,"sld_tail",Py_BuildValue("d",0.00000040)); 
     95        PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.00000600)); 
     96        PyDict_SetItemString(self->params,"t_length",Py_BuildValue("d",15.00000000)); 
     97        PyDict_SetItemString(self->params,"sld_head",Py_BuildValue("d",0.00000300)); 
     98        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
    9999        // Initialize dispersion / averaging parameter dict 
    100100        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CLamellarModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"sld_sol",Py_BuildValue("d",0.000006)); 
    93         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"bi_thick",Py_BuildValue("d",50.000000)); 
    95         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    96         PyDict_SetItemString(self->params,"sld_bi",Py_BuildValue("d",0.000001)); 
     92        PyDict_SetItemString(self->params,"sld_sol",Py_BuildValue("d",0.00000630)); 
     93        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"bi_thick",Py_BuildValue("d",50.00000000)); 
     95        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     96        PyDict_SetItemString(self->params,"sld_bi",Py_BuildValue("d",0.00000100)); 
    9797        // Initialize dispersion / averaging parameter dict 
    9898        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CLamellarPSHGModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"n_plates",Py_BuildValue("d",30.000000)); 
    93         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"deltaT",Py_BuildValue("d",10.000000)); 
    95         PyDict_SetItemString(self->params,"spacing",Py_BuildValue("d",40.000000)); 
    96         PyDict_SetItemString(self->params,"sld_tail",Py_BuildValue("d",0.000000)); 
    97         PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.000006)); 
    98         PyDict_SetItemString(self->params,"caille",Py_BuildValue("d",0.001000)); 
    99         PyDict_SetItemString(self->params,"sld_head",Py_BuildValue("d",0.000002)); 
    100         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    101         PyDict_SetItemString(self->params,"deltaH",Py_BuildValue("d",2.000000)); 
     92        PyDict_SetItemString(self->params,"n_plates",Py_BuildValue("d",30.00000000)); 
     93        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"deltaT",Py_BuildValue("d",10.00000000)); 
     95        PyDict_SetItemString(self->params,"spacing",Py_BuildValue("d",40.00000000)); 
     96        PyDict_SetItemString(self->params,"sld_tail",Py_BuildValue("d",0.00000040)); 
     97        PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.00000600)); 
     98        PyDict_SetItemString(self->params,"caille",Py_BuildValue("d",0.00100000)); 
     99        PyDict_SetItemString(self->params,"sld_head",Py_BuildValue("d",0.00000200)); 
     100        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     101        PyDict_SetItemString(self->params,"deltaH",Py_BuildValue("d",2.00000000)); 
    102102        // Initialize dispersion / averaging parameter dict 
    103103        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CLamellarPSModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"n_plates",Py_BuildValue("d",20.000000)); 
    93         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"sld_sol",Py_BuildValue("d",0.000001)); 
    95         PyDict_SetItemString(self->params,"delta",Py_BuildValue("d",30.000000)); 
    96         PyDict_SetItemString(self->params,"spacing",Py_BuildValue("d",400.000000)); 
    97         PyDict_SetItemString(self->params,"caille",Py_BuildValue("d",0.100000)); 
    98         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    99         PyDict_SetItemString(self->params,"sld_bi",Py_BuildValue("d",0.000006)); 
     92        PyDict_SetItemString(self->params,"n_plates",Py_BuildValue("d",20.00000000)); 
     93        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"sld_sol",Py_BuildValue("d",0.00000100)); 
     95        PyDict_SetItemString(self->params,"delta",Py_BuildValue("d",30.00000000)); 
     96        PyDict_SetItemString(self->params,"spacing",Py_BuildValue("d",400.00000000)); 
     97        PyDict_SetItemString(self->params,"caille",Py_BuildValue("d",0.10000000)); 
     98        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     99        PyDict_SetItemString(self->params,"sld_bi",Py_BuildValue("d",0.00000630)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CLogNormal.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sigma",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sigma",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.00000000)); 
    9595        // Initialize dispersion / averaging parameter dict 
    9696        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CLorentzian.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.000000)); 
    94         PyDict_SetItemString(self->params,"gamma",Py_BuildValue("d",1.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.00000000)); 
     94        PyDict_SetItemString(self->params,"gamma",Py_BuildValue("d",1.00000000)); 
    9595        // Initialize dispersion / averaging parameter dict 
    9696        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CMultiShellModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.000006)); 
    93         PyDict_SetItemString(self->params,"core_radius",Py_BuildValue("d",60.000000)); 
    94         PyDict_SetItemString(self->params,"n_pairs",Py_BuildValue("d",2.000000)); 
    95         PyDict_SetItemString(self->params,"w_thickness",Py_BuildValue("d",10.000000)); 
    96         PyDict_SetItemString(self->params,"s_thickness",Py_BuildValue("d",10.000000)); 
    97         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    98         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    99         PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.00000640)); 
     93        PyDict_SetItemString(self->params,"core_radius",Py_BuildValue("d",60.00000000)); 
     94        PyDict_SetItemString(self->params,"n_pairs",Py_BuildValue("d",2.00000000)); 
     95        PyDict_SetItemString(self->params,"w_thickness",Py_BuildValue("d",10.00000000)); 
     96        PyDict_SetItemString(self->params,"s_thickness",Py_BuildValue("d",10.00000000)); 
     97        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     98        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     99        PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.00000040)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/COblateModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"major_core",Py_BuildValue("d",200.000000)); 
    93         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"minor_core",Py_BuildValue("d",20.000000)); 
    95         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.000000)); 
    96         PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.000006)); 
    97         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",1.000000)); 
    98         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    99         PyDict_SetItemString(self->params,"major_shell",Py_BuildValue("d",250.000000)); 
    100         PyDict_SetItemString(self->params,"contrast",Py_BuildValue("d",0.000001)); 
    101         PyDict_SetItemString(self->params,"minor_shell",Py_BuildValue("d",30.000000)); 
     92        PyDict_SetItemString(self->params,"major_core",Py_BuildValue("d",200.00000000)); 
     93        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"minor_core",Py_BuildValue("d",20.00000000)); 
     95        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.00000000)); 
     96        PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.00000630)); 
     97        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",1.00000000)); 
     98        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     99        PyDict_SetItemString(self->params,"major_shell",Py_BuildValue("d",250.00000000)); 
     100        PyDict_SetItemString(self->params,"contrast",Py_BuildValue("d",0.00000100)); 
     101        PyDict_SetItemString(self->params,"minor_shell",Py_BuildValue("d",30.00000000)); 
    102102        // Initialize dispersion / averaging parameter dict 
    103103        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CParallelepipedModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"short_a",Py_BuildValue("d",35.000000)); 
    93         PyDict_SetItemString(self->params,"short_b",Py_BuildValue("d",75.000000)); 
    94         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    95         PyDict_SetItemString(self->params,"long_c",Py_BuildValue("d",400.000000)); 
    96         PyDict_SetItemString(self->params,"sldPipe",Py_BuildValue("d",0.000006)); 
    97         PyDict_SetItemString(self->params,"parallel_psi",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"parallel_phi",Py_BuildValue("d",0.000000)); 
    99         PyDict_SetItemString(self->params,"parallel_theta",Py_BuildValue("d",0.000000)); 
    100         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    101         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"short_a",Py_BuildValue("d",35.00000000)); 
     93        PyDict_SetItemString(self->params,"short_b",Py_BuildValue("d",75.00000000)); 
     94        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     95        PyDict_SetItemString(self->params,"long_c",Py_BuildValue("d",400.00000000)); 
     96        PyDict_SetItemString(self->params,"sldPipe",Py_BuildValue("d",0.00000630)); 
     97        PyDict_SetItemString(self->params,"parallel_psi",Py_BuildValue("d",0.00000000)); 
     98        PyDict_SetItemString(self->params,"parallel_phi",Py_BuildValue("d",0.00000000)); 
     99        PyDict_SetItemString(self->params,"parallel_theta",Py_BuildValue("d",0.00000000)); 
     100        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000100)); 
     101        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
    102102        // Initialize dispersion / averaging parameter dict 
    103103        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CProlateModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"major_core",Py_BuildValue("d",100.000000)); 
    93         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"minor_core",Py_BuildValue("d",50.000000)); 
    95         PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.000006)); 
    96         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    97         PyDict_SetItemString(self->params,"major_shell",Py_BuildValue("d",110.000000)); 
    98         PyDict_SetItemString(self->params,"contrast",Py_BuildValue("d",0.000001)); 
    99         PyDict_SetItemString(self->params,"minor_shell",Py_BuildValue("d",60.000000)); 
     92        PyDict_SetItemString(self->params,"major_core",Py_BuildValue("d",100.00000000)); 
     93        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"minor_core",Py_BuildValue("d",50.00000000)); 
     95        PyDict_SetItemString(self->params,"sld_solvent",Py_BuildValue("d",0.00000630)); 
     96        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     97        PyDict_SetItemString(self->params,"major_shell",Py_BuildValue("d",110.00000000)); 
     98        PyDict_SetItemString(self->params,"contrast",Py_BuildValue("d",0.00000100)); 
     99        PyDict_SetItemString(self->params,"minor_shell",Py_BuildValue("d",60.00000000)); 
    100100        // Initialize dispersion / averaging parameter dict 
    101101        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CSchulz.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"sigma",Py_BuildValue("d",1.000000)); 
    94         PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"sigma",Py_BuildValue("d",1.00000000)); 
     94        PyDict_SetItemString(self->params,"center",Py_BuildValue("d",0.00000000)); 
    9595        // Initialize dispersion / averaging parameter dict 
    9696        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CSphereModel.cpp

    rf10063e rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001)); 
    93         PyDict_SetItemString(self->params,"sldSph",Py_BuildValue("d",0.000002)); 
    94         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    95         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",60.000000)); 
    96         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.00000100)); 
     93        PyDict_SetItemString(self->params,"sldSph",Py_BuildValue("d",0.00000200)); 
     94        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     95        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",60.00000000)); 
     96        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
    9797        // Initialize dispersion / averaging parameter dict 
    9898        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CSquareWellStructure.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"welldepth",Py_BuildValue("d",1.500000)); 
    93         PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.000000)); 
    94         PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.040000)); 
    95         PyDict_SetItemString(self->params,"wellwidth",Py_BuildValue("d",1.200000)); 
     92        PyDict_SetItemString(self->params,"welldepth",Py_BuildValue("d",1.50000000)); 
     93        PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.00000000)); 
     94        PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.04000000)); 
     95        PyDict_SetItemString(self->params,"wellwidth",Py_BuildValue("d",1.20000000)); 
    9696        // Initialize dispersion / averaging parameter dict 
    9797        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CStackedDisksModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.000004)); 
    93         PyDict_SetItemString(self->params,"core_thick",Py_BuildValue("d",10.000000)); 
    94         PyDict_SetItemString(self->params,"layer_thick",Py_BuildValue("d",15.000000)); 
    95         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",0.000000)); 
    96         PyDict_SetItemString(self->params,"layer_sld",Py_BuildValue("d",-0.000000)); 
    97         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.000000)); 
    98         PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.000005)); 
    99         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",0.010000)); 
    100         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",3000.000000)); 
    101         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000)); 
    102         PyDict_SetItemString(self->params,"sigma_d",Py_BuildValue("d",0.000000)); 
    103         PyDict_SetItemString(self->params,"n_stacking",Py_BuildValue("d",1.000000)); 
     92        PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.00000400)); 
     93        PyDict_SetItemString(self->params,"core_thick",Py_BuildValue("d",10.00000000)); 
     94        PyDict_SetItemString(self->params,"layer_thick",Py_BuildValue("d",15.00000000)); 
     95        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",0.00000000)); 
     96        PyDict_SetItemString(self->params,"layer_sld",Py_BuildValue("d",-0.00000040)); 
     97        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.00000000)); 
     98        PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.00000500)); 
     99        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",0.01000000)); 
     100        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",3000.00000000)); 
     101        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00100000)); 
     102        PyDict_SetItemString(self->params,"sigma_d",Py_BuildValue("d",0.00000000)); 
     103        PyDict_SetItemString(self->params,"n_stacking",Py_BuildValue("d",1.00000000)); 
    104104        // Initialize dispersion / averaging parameter dict 
    105105        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CStickyHSStructure.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"stickiness",Py_BuildValue("d",0.200000)); 
    93         PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.000000)); 
    94         PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.100000)); 
    95         PyDict_SetItemString(self->params,"perturb",Py_BuildValue("d",0.050000)); 
     92        PyDict_SetItemString(self->params,"stickiness",Py_BuildValue("d",0.20000000)); 
     93        PyDict_SetItemString(self->params,"effect_radius",Py_BuildValue("d",50.00000000)); 
     94        PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.10000000)); 
     95        PyDict_SetItemString(self->params,"perturb",Py_BuildValue("d",0.05000000)); 
    9696        // Initialize dispersion / averaging parameter dict 
    9797        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CTriaxialEllipsoidModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    93         PyDict_SetItemString(self->params,"axis_psi",Py_BuildValue("d",0.000000)); 
    94         PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.000000)); 
    95         PyDict_SetItemString(self->params,"semi_axisA",Py_BuildValue("d",35.000000)); 
    96         PyDict_SetItemString(self->params,"semi_axisB",Py_BuildValue("d",100.000000)); 
    97         PyDict_SetItemString(self->params,"semi_axisC",Py_BuildValue("d",400.000000)); 
    98         PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",1.000000)); 
    99         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    100         PyDict_SetItemString(self->params,"contrast",Py_BuildValue("d",0.000005)); 
     92        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     93        PyDict_SetItemString(self->params,"axis_psi",Py_BuildValue("d",0.00000000)); 
     94        PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",1.00000000)); 
     95        PyDict_SetItemString(self->params,"semi_axisA",Py_BuildValue("d",35.00000000)); 
     96        PyDict_SetItemString(self->params,"semi_axisB",Py_BuildValue("d",100.00000000)); 
     97        PyDict_SetItemString(self->params,"semi_axisC",Py_BuildValue("d",400.00000000)); 
     98        PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",1.00000000)); 
     99        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     100        PyDict_SetItemString(self->params,"contrast",Py_BuildValue("d",0.00000530)); 
    101101        // Initialize dispersion / averaging parameter dict 
    102102        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/CVesicleModel.cpp

    r3080527 rc724ccd  
    9090         
    9191        // Initialize parameter dictionary 
    92         PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.000006)); 
    93         PyDict_SetItemString(self->params,"thickness",Py_BuildValue("d",30.000000)); 
    94         PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    95         PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",100.000000)); 
    96         PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000)); 
    97         PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.000000)); 
     92        PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.00000636)); 
     93        PyDict_SetItemString(self->params,"thickness",Py_BuildValue("d",30.00000000)); 
     94        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.00000000)); 
     95        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",100.00000000)); 
     96        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.00000000)); 
     97        PyDict_SetItemString(self->params,"shell_sld",Py_BuildValue("d",0.00000050)); 
    9898        // Initialize dispersion / averaging parameter dict 
    9999        DispersionVisitor* visitor = new DispersionVisitor(); 

  • sansmodels/src/sans/models/c_models/HayterMSA.cpp

    rf9bf661 rc724ccd  
    3636        effect_radius.set_min(0.0); 
    3737        charge      = Parameter(19.0, true); 
    38         charge.set_min(0.0); 
    3938        volfraction = Parameter(0.0192, true); 
    4039        volfraction.set_min(0.0); 
    … …  
    5756        // Add the background after averaging 
    5857        dp[0] = 2.0*effect_radius(); 
    59         dp[1] = charge(); 
     58        dp[1] = fabs(charge()); 
    6059        dp[2] = volfraction(); 
    6160        dp[3] = temperature(); 

  • sansmodels/src/sans/models/c_models/WrapperGenerator.py

    r25a608f5 rc724ccd  
    298298            param_str = "// Initialize parameter dictionary\n"             
    299299            for par in self.params: 
    300                 param_str += "        PyDict_SetItemString(self->params,\"%s\",Py_BuildValue(\"d\",%f));\n" % \ 
     300                param_str += "        PyDict_SetItemString(self->params,\"%s\",Py_BuildValue(\"d\",%10.8f));\n" % \ 
    301301                    (par, self.params[par]) 
    302302 

  • sansmodels/src/sans/models/c_models/c_models.cpp

    r5eb9154 rc724ccd  
    1515void addCParallelepipedModel(PyObject *module); 
    1616void addCSphereModel(PyObject *module); 
     17void addCFuzzySphereModel(PyObject *module); 
    1718void addCHardsphereStructure(PyObject *module); 
    1819void addCStickyHSStructure(PyObject *module); 
    … …  
    2021void addCHayterMSAStructure(PyObject *module); 
    2122void addCCoreShellModel(PyObject *module); 
     23void addCCoreFourShellModel(PyObject *module); 
    2224void addCCoreShellCylinderModel(PyObject *module); 
    2325void addCEllipsoidModel(PyObject *module); 
    … …  
    2527void addCTriaxialEllipsoidModel(PyObject *module); 
    2628void addCFlexibleCylinderModel(PyObject *module); 
     29void addCFlexCylEllipXModel(PyObject *module); 
    2730void addCStackedDisksModel(PyObject *module); 
    2831void addCLamellarPSModel(PyObject *module); 
    … …  
    4043void addCVesicleModel(PyObject *module); 
    4144void addCBinaryHSModel(PyObject *module); 
     45//void addCPolymerExclVolModel(PyObject *module); 
     46void addCFractalModel(PyObject *module); 
     47void addCPoly_GaussCoil(PyObject *module); 
    4248 
    4349 
    … …  
    213219        addCCoreShellCylinderModel(m); 
    214220        addCCoreShellModel(m); 
     221        addCCoreFourShellModel(m); 
    215222        addCEllipsoidModel(m); 
    216223        addCSphereModel(m); 
     224        addCFuzzySphereModel(m); 
    217225        addCHardsphereStructure(m); 
    218226        addCStickyHSStructure(m); 
    … …  
    222230        addCTriaxialEllipsoidModel(m); 
    223231        addCFlexibleCylinderModel(m); 
     232        addCFlexCylEllipXModel(m); 
    224233        addCStackedDisksModel(m); 
    225234        addCLamellarPSModel(m); 
    … …  
    242251        addCLorentzian(m); 
    243252        addCVesicleModel(m); 
    244  
    245 } 
     253        addCPoly_GaussCoil(m); 
     254        addCFractalModel(m); 
     255//      addCPolymerExclVolModel(m); 
     256} 

  • sansmodels/src/sans/models/c_models/flexiblecylinder.cpp

    rf10063e rc724ccd  
    4242        radius  = Parameter(20.0, true); 
    4343        radius.set_min(0.0); 
    44         sldCyl   = Parameter(6.3e-6); 
    45         sldSolv   = Parameter(1.0e-6); 
     44        sldCyl   = Parameter(1.0e-6); 
     45        sldSolv   = Parameter(6.3e-6); 
    4646        background = Parameter(0.0001); 
    4747} 
    … …  
    9797                                sum += weights_len[i].weight 
    9898                                        * weights_kuhn[j].weight*weights_rad[k].weight * FlexExclVolCyl(dp, q) 
    99                                         * pow(weights_rad[k].value,2)*weights_len[i].value; 
     99                                        * pow(weights_rad[k].value,2.0)*weights_len[i].value; 
    100100                                //Find average volume 
    101101                                vol += weights_rad[k].weight 
    102102                                        * weights_len[i].weight 
    103103                                        * weights_kuhn[j].weight 
    104                                         *pow(weights_rad[k].value,2)*weights_len[i].value; 
     104                                        *pow(weights_rad[k].value,2.0)*weights_len[i].value; 
    105105                                norm += weights_len[i].weight 
    106106                                        * weights_kuhn[j].weight*weights_rad[k].weight; 

  • sansmodels/src/sans/models/c_models/models.hh

    rf10063e rc724ccd  
    2222        #include "lamellarPS.h" 
    2323        #include "lamellar.h" 
     24        #include "fuzzysphere.h" 
     25        #include "polyexclvol.h" 
    2426} 
    2527 
    … …  
    8587        // Constructor 
    8688        SphereModel(); 
     89 
     90        // Operators to get I(Q) 
     91        double operator()(double q); 
     92        double operator()(double qx, double qy); 
     93        double calculate_ER(); 
     94        double evaluate_rphi(double q, double phi); 
     95}; 
     96 
     97class FuzzySphereModel{ 
     98public: 
     99        // Model parameters 
     100        Parameter radius; 
     101        Parameter scale; 
     102        Parameter fuzziness; 
     103        Parameter sldSph; 
     104        Parameter sldSolv; 
     105        Parameter background; 
     106 
     107        // Constructor 
     108        FuzzySphereModel(); 
    87109 
    88110        // Operators to get I(Q) 
    … …  
    218240}; 
    219241 
     242class CoreFourShellModel{ 
     243public: 
     244        // Model parameters 
     245        Parameter scale; 
     246        Parameter rad_core; 
     247        Parameter sld_core; 
     248        Parameter thick_shell1; 
     249        Parameter sld_shell1; 
     250        Parameter thick_shell2; 
     251        Parameter sld_shell2; 
     252        Parameter thick_shell3; 
     253        Parameter sld_shell3; 
     254        Parameter thick_shell4; 
     255        Parameter sld_shell4; 
     256        Parameter sld_solv; 
     257        Parameter background; 
     258 
     259        // Constructor 
     260        CoreFourShellModel(); 
     261 
     262        // Operators to get I(Q) 
     263        double operator()(double q); 
     264        double operator()(double qx, double qy); 
     265        double calculate_ER(); 
     266        double evaluate_rphi(double q, double phi); 
     267}; 
     268 
    220269class CoreShellCylinderModel{ 
    221270public: 
    … …  
    320369        Parameter sldSolv; 
    321370        Parameter background; 
    322         Parameter axis_theta; 
    323         Parameter axis_phi; 
    324371 
    325372        // Constructor 
    326373        FlexibleCylinderModel(); 
     374 
     375        // Operators to get I(Q) 
     376        double operator()(double q); 
     377        double operator()(double qx, double qy); 
     378        double calculate_ER(); 
     379        double evaluate_rphi(double q, double phi); 
     380}; 
     381 
     382class FlexCylEllipXModel{ 
     383public: 
     384        // Model parameters 
     385        Parameter scale; 
     386        Parameter length; 
     387        Parameter kuhn_length; 
     388        Parameter radius; 
     389        Parameter axis_ratio; 
     390        Parameter sldCyl; 
     391        Parameter sldSolv; 
     392        Parameter background; 
     393 
     394        // Constructor 
     395        FlexCylEllipXModel(); 
    327396 
    328397        // Operators to get I(Q) 
    … …  
    583652}; 
    584653 
     654class Poly_GaussCoil{ 
     655public: 
     656        // Model parameters 
     657        Parameter rg; 
     658        Parameter scale; 
     659        Parameter poly_m; 
     660        Parameter background; 
     661 
     662        // Constructor 
     663        Poly_GaussCoil(); 
     664 
     665        // Operators to get I(Q) 
     666        double operator()(double q); 
     667        double operator()(double qx, double qy); 
     668        double calculate_ER(); 
     669        double evaluate_rphi(double q, double phi); 
     670}; 
     671 
     672class FractalModel{ 
     673public: 
     674        // Model parameters 
     675        Parameter radius; 
     676        Parameter scale; 
     677        Parameter fractal_dim; 
     678        Parameter cor_length; 
     679        Parameter sldBlock; 
     680        Parameter sldSolv; 
     681        Parameter background; 
     682 
     683        // Constructor 
     684        FractalModel(); 
     685 
     686        // Operators to get I(Q) 
     687        double operator()(double q); 
     688        double operator()(double qx, double qy); 
     689        double calculate_ER(); 
     690        double evaluate_rphi(double q, double phi); 
     691}; 
     692 
     693/*** 
     694class PolymerExclVolModel{ 
     695public: 
     696        // Model parameters 
     697        Parameter rg; 
     698        Parameter scale; 
     699        Parameter m; 
     700        Parameter background; 
     701 
     702        // Constructor 
     703        PolymerExclVolModel(); 
     704 
     705        // Operators to get I(Q) 
     706        double operator()(double q); 
     707        double operator()(double qx, double qy); 
     708        double calculate_ER(); 
     709        double evaluate_rphi(double q, double phi); 
     710}; 
     711***/ 
    585712#endif 
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