Version 138 (modified by pkienzle, 4 years ago) (diff)

Add a model here when you are working on it. Mark it as converted when it is tested and pushed.

The err columns are the result of running multi_compare.sh, which generates random parameters for comparison against sasview. double should be at most 5e-14 relative error, single should be 5e-5.

./multi_compare.sh MODEL 200 1d200 mono double
./multi_compare.sh MODEL 200 1d200 mono single
./multi_compare.sh MODEL 200 2d32 mono double
./multi_compare.sh MODEL 200 2d32 mono single

Some models still have issues when run using single precision (lamellarPC for example).

We are not dealing with magnetism at this point as it requires some work on the wrapper functionality. Thus the *Magnetic* column below is for reference as to which models need attention. The *SESANS* column should be used to indicate if the model is a priority (1 highest, 4 lowest). The Multiply column indicates whether the model can be multiplied by a structure factor. This is currently hardcoded into src/sas/perspectives/fitting/models.py

SasView namesasmodels name P(Q) S(Q) Multiply Multiplicity Magnetic SESANS Assigned Converted UTest double err single err double 2D single 2D
HayterMSAStructure HayterMSAsq .Y...1RKHY Y NaNs FAIL - -
BarBellModel barbell Y....3AJJN - good good FAIL FAIL
BCCrystalModel bcc Y....3AJJY - good FAIL 9e-14 2e-2
BEPolyelectrolyte be_polyelectrolyte Y....3PR Y Y good good - -
BroadPeakModel broad_peak Y....4PDBY - good good - -
CappedCylinderModel capped_cylinder Y....3HP Y - good good 2e-11 3e-3
CoreShellBicelleModel core_shell_bicelle Y.Y..2PR Y Y good good 1e-12 1e-4
CoreShellCylinderModelcore_shell_cylinderY.Y..3HP Y - good good 9e-14 4e-4
CoreShellEllipsoidModelcore_shell_ellipsoidY.Y..3PR Y Y good 1e-4 good 1e-3
CoreShellEllipsoidXTModelcore_shell_ellipsoid_xt Y.Y..3PR Y Y good 1e-4 good 1e-3
CoreShellModel Y.Y.Y2MD Y Y good good - -
CorrLength correlation_length Y....3JRKY Y good good - -
CylinderModel cylinder Y.Y.Y1HP Y - good good 2e-13 1e-4
DABModel dab Y....1DM Y - good good - -
EllipsoidModel ellipsoid Y.Y..1HP Y - good* good 3e-14 1e-4
EllipticalCylinderModel Y.Y..3MD Y Y good good - -
FCCrystalModel fcc Y....3AJJY - good FAIL FAIL FAIL
FlexibleCylinderModel flexible_cylinder Y....2PR Y Y good FAIL - -
FlexCylEllipXModel flexible_cylinder_exY....3PR Y Y good FAIL - -
PeakGaussModel gaussian_peak Y....4AJJY - good 1e-3 - -
GaussLorentzGel gauss_lorentz_gel Y....2PR Y Y good good - -
GelFitModel gel_fit Y....1PR Y Y good good - -
Guinier guinier Y....1JRKY Y good good - -
GuinierPorod guinier_porod Y....2MD Y Y good good - -
HardsphereStructure hardsphere .Y...1RKHY Y good FAIL - -
HollowCylinderModel hollow_cylinder Y.Y..2JRKY Y good good 4e-13 2e-3
LamellarModel lamellar Y....2PAKY - good good - -
LamellarPSModel lamellarCaille Y....3RKHY Y good 5e-2 - -
LamellarPSHGModel lamellarCailleHG Y....3RKHY Y 3e-12 5e-3 - -
LamellarFFHGModel lamellarFFHG Y....3RKHY Y good good - -
LamellarPCrystallModel lamellarPC Y....3RKHY Y good FAIL - -
LineModel line Y....4WP Y Y good good - -
LinearPearlsModel linear_pearls Y....3PR Y N good fail - -
Lorentz lorentz Y....1JRKY Y good good - -
MassFractalModel mass_fractal Y....1PR Y Y good 5e-5 - -
MassSurfaceFractal mass_surface_fractalY....1PR Y Y good good - -
ParallelepipedModel parallelepiped Y.Y.Y2MAGY - good good 2e-13 8e-5
PeakLorentzModel peak_lorentz Y....4AJJY Y good good - -
PearlNecklaceModel pearl_necklace Y....3JRKY Y 6e-14 FAIL - -
PolyExclVolume polymer_excl_volumeY....3PR Y Y good good - -
PorodModel porod Y....3MD Y Y good good - -
!AbsolutePower_Law power_law Y....3SMKY - good good - -
SCCrystalModel sc_crystal Y....3PR Y Y good FAIL good 1e-3
SphereModel sphere Y.Y.Y1HP Y - good* good - -
StackedDisksModel stacked_disk Y.Y..2PR Y Y good 1e-5 good 1e-5
StarPolymer star_polymer Y....2PR Y Y good fail - -
StickyHSStructure stickyhardsphere .Y...1RKHY Y good FAIL - -
SurfaceFractalModel surface_fractal Y....1PR Y Y good 5e-5 - -
TeubnerStrey teubner_strey Y....1PAKY - good* good - -
TriaxialEllipsoidModeltriaxial_ellipsoid Y.Y..3HP Y - good* good good good
TwoLorentzian two_lorentzian Y....4PR Y Y good good - -
TwoPowerLaw two_power_law Y....4WP Y Y good good - -
VesicleModel vesicle Y.Y..2PDBY Y 3e-3 2e-5 - -
BinaryHSModel binary_hard_sphere Y....1PDBN - - - - -
Core2ndMomentModel Y....3SMKN - - - - -
CoreMultiShellModel Y.YYY3 N - - - - -
CSParallelepipedModel Y.Y..3MAGN - - - - -
Debye Y....1SMKN - - - - -
FractalModel Y....1PDBN - - - - -
FractalCoreShell Y....3PR N - - - - -
FuzzySphereModel Y....2TRNN - - - - -
MicelleSphCore Y.Y.. N - - - - -
MultiShellModel Y.YY.3 N - - - - -
MultiplicationModel ..... PAKN - - - - -
OnionExpShellModel Y.YY.3PAKN - - - - -
Poly_GaussCoil Y....2SMKN - - - - -
PringleModel Y....3PR N - - - - -
RaspBerryModel Y....2AJJN - - - - -
RectangularPrismModel Y.Y..2MAGN - - - - -
RectangularHollowPrismModel Y.Y..3MAGN - - - - -
RectangularHollowPrismInfThinWallsModel Y....3MAGN - - - - -
ReflectivityModel Y..Y.4PR N - - - - -
ReflectivityIIModel Y..Y.4 N - - - - -
RPA10Model Y..Y.3PAKN - - - - -
SphericalSLDModel Y.YY.3WP N - - - - -
SquareWellStructure .Y...1PDBN - - - - -
UnifiedPowerRg Y..Y.4 N - - - - -
testmodel 3 N - - - - -
testmodel_2 3 N - - - - -
sum_p1_p2 3 N - - - - -
sum_Ap1_1_Ap2 3 N - - - - -
polynomial5 3 N - - - - -
sph_bessel_jn 3 N - - - - -

* using taylor expansion near 0 for fq = 3 (sin(qr)/qr - cos(qr))/qr2; using quad precision as a cross check, this is more accurate than computing the direct expression for qr < 0.1 in double precision, and so the values will differ from those in sasview. It is much more accurate in single precision. This affects many models, including sphere and ellipsoid models. The cylinder models are using J1(qr)/qr, which has its own numerical expansion and does not suffer from this problem. Should probably settle on one or the other and move it into the library. So even though the double precision values for sphere, ellipsoid and triaxial ellipsoid differ by more than 5e-14, they are still marked good. Similarly, the Teubner-Strey model checks out against the quad precision version and so is marked good.

List of standard parameters has moved to the instructions page