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RichardHeenan opened this issue Mar 30, 2019 · 6 comments
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beta(Q) approx models to edit (Trac #1120) #180

RichardHeenan opened this issue Mar 30, 2019 · 6 comments
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Beta Approximation Project critical enhancement Migrated from Trac
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sasmodels 1.0

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@RichardHeenan
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RichardHeenan commented Mar 30, 2019 •
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Need add lists here of high, medium and low priority models to edit.

Note unit tests for P(Q)S(Q) are part of #168 

Migrated from http://trac.sasview.org/ticket/1120

{
    "status": "new",
    "changetime": "2018-10-30T22:42:20",
    "_ts": "2018-10-30 22:42:20.877679+00:00",
    "description": "Need add lists here of high, medium and low priority models to edit.\n\nNote unit tests for P(Q)S(Q) are part of\u00a0#1063\u00a0",
    "reporter": "richardh",
    "cc": "",
    "resolution": "",
    "workpackage": "Beta Approximation Project",
    "time": "2018-07-01T21:35:14",
    "component": "sasmodels",
    "summary": "beta(Q) approx models to edit",
    "priority": "critical",
    "keywords": "",
    "milestone": "sasmodels 1.0",
    "owner": "richardh",
    "type": "enhancement"
}
@RichardHeenan RichardHeenan added this to the sasmodels 1.0 milestone Mar 30, 2019
@RichardHeenan RichardHeenan self-assigned this Mar 30, 2019
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Trac update at 2018/07/04 12:58:24: yunliu commented:

Some of personal thoughts for discussions.
Among the initial list of form factors provided by Paul Kienzle, here is my tenative priority list. This list will change for sure based on the progress of the project. But for now, these are my initial thoughts.

Please feel free to add/review/modify the list. (Here, only the form factor models are considered. GUI for the beta approximation and effective radius for S(Q) may be discussed in a different ticket.)

  1. High priority:

Orientation average ( )
Ellipsoid
Cylinder

Size polydispersity

Sphere
ellipsoid
cylinder
vescile

  1. Medium priority

Orientation average:
core_shell_cylinder

Combining the orientation average and size average
ellipsoid
cylinder
core_shell_cylinder

  1. Models without beta approximation ( Form factor models can not be easily implemented to calculate .)
    In general, models in this list will not be considered to have the beta approximation.

pearl_necklace

Appendix:
#####Initial list of models provided by Paul Kienzle#####
core_multi_shell
core_shell_cylinder
core_shell_ellipsoid
core_shell_parallelepiped
core_shell_sphere
cylinder
ellipsoid
elliptical_cylinder
fractal_core_shell
fuzzy_sphere
hollow_cylinder
hollow_rectangular_prism
hollow_rectangular_prism_thin_walls
multilayer_vesicle
onion
parallelepiped
pearl_necklace
pringle
rectangular_prism
sphere
spherical_sld
triaxial_ellipsoid
vesicle

@pkienzle
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Trac update at 2018/07/05 20:34:00:

  • pkienzle changed _comment0 from:

models with easy access to form factor:
{{{
adsorbed_layer
barbell
capped_cylinder
core_multi_shell
core_shell_bicelle
core_shell_bicelle_elliptical
core_shell_cylinder
core_shell_ellipsoid
core_shell_parallelepipied
core_shell_sphere
cylinder # limiting conditions (long rods, thin disks) don't compute
ellipsoid
elliptical_cylinder
fuzzy_sphere
hollow_cylinder
hollow_rectangular_prism
hollow_rectangular_prism_thin_walls
multilayer_vesicle
onion
parallelepiped
rectangular_prism
sphere
spherical_sld
triaxial_ellipsoid
vesicle
}}}
models without easy access to form factor
{{{
binary_hard_sphere
core_shell_bicelle_elliptical_belt_rough # the rough applies to F^2
flexible_cylinder
flexible_cylinder_elliptical
linear_pearls
mono_gauss_coil
pearl_necklace
poly_gauss_coil
polymer_micelle
pringle
raspberry
stacked_disks
star_polymer
}}}
models with overall structure factor built in:
{{{
bcc_paracrystal
fcc_paracrystal
fractal
fractal_core_shell
lamellar
lamellar_hg
lamellar_hg_stack_caille
lamellar_stack_caille
lamellar_stack_paracrystal
mass_fractal
mass_surface_fractal
rpa
sc_paracrystal
surface_fractal
}}}
models which are pure structure factors
{{{
hardsphere
hayter_msa
squarewell
stickyhardsphere
}}}
other models
{{{
be_polyelectrolyte
broad_peak
correlation_length
dab
gauss_lorentz_gel
gaussian_peak
gel_fit
guinier_porod
guinier
line
lorentz
peak_lorentz
polymer_excl_volume
porod
power_law
spinodal
teubner_strey
two_lorentzian
unified_power_Rg
}}}

to:

1534260910209072

  • pkienzle changed _comment1 from:

models with easy access to form factor:
{{{
barbell
capped_cylinder
core_multi_shell
core_shell_bicelle
core_shell_bicelle_elliptical
core_shell_cylinder
core_shell_ellipsoid
core_shell_parallelepipied
core_shell_sphere
cylinder # limiting conditions (long rods, thin disks) don't compute
ellipsoid
elliptical_cylinder
fuzzy_sphere
hollow_cylinder
hollow_rectangular_prism
hollow_rectangular_prism_thin_walls
multilayer_vesicle
onion
parallelepiped
rectangular_prism
sphere
spherical_sld
triaxial_ellipsoid
vesicle
}}}
models without easy access to form factor
{{{
binary_hard_sphere
core_shell_bicelle_elliptical_belt_rough # the rough applies to F^2
flexible_cylinder
flexible_cylinder_elliptical
linear_pearls
mono_gauss_coil
pearl_necklace
poly_gauss_coil
polymer_micelle
pringle
raspberry
stacked_disks
star_polymer
}}}
models with overall structure factor built in:
{{{
bcc_paracrystal
fcc_paracrystal
fractal
fractal_core_shell
lamellar
lamellar_hg
lamellar_hg_stack_caille
lamellar_stack_caille
lamellar_stack_paracrystal
mass_fractal
mass_surface_fractal
rpa
sc_paracrystal
surface_fractal
}}}
models which are pure structure factors
{{{
hardsphere
hayter_msa
squarewell
stickyhardsphere
}}}
other models
{{{
adsorbed_layer
be_polyelectrolyte
broad_peak
correlation_length
dab
gauss_lorentz_gel
gaussian_peak
gel_fit
guinier_porod
guinier
line
lorentz
peak_lorentz
polymer_excl_volume
porod
power_law
spinodal
teubner_strey
two_lorentzian
unified_power_Rg
}}}

to:

1534261189323202

  • pkienzle changed _comment2 from:

models with easy access to form factor:
{{{
barbell
capped_cylinder
core_multi_shell
core_shell_bicelle
core_shell_bicelle_elliptical
core_shell_bicelle_elliptical_belt_rough
core_shell_cylinder
core_shell_ellipsoid
core_shell_parallelepipied
core_shell_sphere
cylinder # limiting conditions (long rods, thin disks) don't compute
ellipsoid
elliptical_cylinder
fuzzy_sphere
hollow_cylinder
hollow_rectangular_prism
hollow_rectangular_prism_thin_walls
multilayer_vesicle
onion
parallelepiped
rectangular_prism
sphere
spherical_sld
triaxial_ellipsoid
vesicle
}}}
models with local structure factor
{{{
flexible_cylinder
flexible_cylinder_elliptical
linear_pearls
mono_gauss_coil
pearl_necklace
poly_gauss_coil
polymer_micelle
pringle
raspberry
stacked_disks
star_polymer
}}}
models with long range structure factor:
{{{
binary_hard_sphere
bcc_paracrystal
fcc_paracrystal
fractal
fractal_core_shell
lamellar
lamellar_hg
lamellar_hg_stack_caille
lamellar_stack_caille
lamellar_stack_paracrystal
mass_fractal
mass_surface_fractal
rpa
sc_paracrystal
surface_fractal
}}}
models which are pure structure factors
{{{
hardsphere
hayter_msa
squarewell
stickyhardsphere
}}}
other models
{{{
adsorbed_layer
be_polyelectrolyte
broad_peak
correlation_length
dab
gauss_lorentz_gel
gaussian_peak
gel_fit
guinier_porod
guinier
line
lorentz
peak_lorentz
polymer_excl_volume
porod
power_law
spinodal
teubner_strey
two_lorentzian
unified_power_Rg
}}}

to:

1534261239985298

  • pkienzle commented:

models with pure form factor:

barbell
capped_cylinder
core_multi_shell
core_shell_bicelle
core_shell_bicelle_elliptical
core_shell_bicelle_elliptical_belt_rough
core_shell_cylinder
core_shell_ellipsoid
core_shell_parallelepipied
core_shell_sphere
cylinder  # limiting conditions (long rods, thin disks) don't compute <F>
ellipsoid
elliptical_cylinder
fuzzy_sphere
hollow_cylinder
hollow_rectangular_prism
hollow_rectangular_prism_thin_walls
multilayer_vesicle
onion
parallelepiped
rectangular_prism
sphere
spherical_sld
triaxial_ellipsoid
vesicle

models with local structure factor

flexible_cylinder
flexible_cylinder_elliptical
linear_pearls
mono_gauss_coil
pearl_necklace
poly_gauss_coil
polymer_micelle
pringle
raspberry
stacked_disks
star_polymer

models with long range structure factor:

binary_hard_sphere
bcc_paracrystal
fcc_paracrystal
fractal
fractal_core_shell
lamellar
lamellar_hg
lamellar_hg_stack_caille
lamellar_stack_caille
lamellar_stack_paracrystal
mass_fractal
mass_surface_fractal
rpa
sc_paracrystal
surface_fractal

models with pure structure factors

hardsphere
hayter_msa
squarewell
stickyhardsphere

other models

adsorbed_layer
be_polyelectrolyte
broad_peak
correlation_length
dab
gauss_lorentz_gel
gaussian_peak
gel_fit
guinier_porod
guinier
line
lorentz
peak_lorentz
polymer_excl_volume
porod
power_law
spinodal
teubner_strey
two_lorentzian
unified_power_Rg

@pkienzle
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Trac update at 2018/08/14 16:13:25: pkienzle commented:

The pure form factor models have been converted to the new Fq API so they now support beta approximation.

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Trac update at 2018/09/07 13:02:20:

  • grethevj changed _comment0 from:

I am adding F1 and F2 for the following models:
raspberry (plus checking the normalization of the model and fixing if needed)
polymer micelle

I am looking into the possibility of adding F1 and F2 for the following models:
pringle
linear pearls
pearl necklace
stacked discs

to:

1536325425919239

  • grethevj changed _comment1 from:

I am converting to Fq API for the following models:
raspberry (plus checking the normalization of the model and fixing if needed)
polymer micelle

I am looking into the possibility of doing the same for the following models:
pringle
linear pearls
pearl necklace
stacked discs

to:

1536325466483567

  • grethevj commented:

I am introducing F1 and F2 for the following models:
raspberry (plus checking the normalization of the model and fixing if needed)
polymer micelle

I am looking into the possibility of doing the same for the following models:
pringle
linear pearls
pearl necklace
stacked discs

@pkienzle
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Trac update at 2018/10/30 22:42:20:

  • pkienzle changed component from "SasView" to "sasmodels"
  • pkienzle changed milestone from "SasView Next Release +1" to "sasmodels 1.0"

@pkienzle pkienzle mentioned this issue Mar 31, 2019
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@pkienzle
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Closing this ticket. Opened ticket #204 for the more complicated models.

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