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swollen sphere parameterization (Trac #605) #737

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pkienzle opened this issue Mar 30, 2019 · 2 comments
Closed

swollen sphere parameterization (Trac #605) #737

pkienzle opened this issue Mar 30, 2019 · 2 comments
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Defect Bug or undesirable behaviour Major Big change in the code or important change in behaviour

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@pkienzle
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pkienzle commented Mar 30, 2019

Improve description of ''phi'' and ''x'' parameters. Is ''phi'' supposed to be volume fraction of spheres, and ''x'' the solvent fraction within spheres? The redundant ''scale'' parameter is automatically included in all models, and has been removed.

Documentation, including equations, needs to reflect the additional parameters.

''phi'' need not be polydisperse; the integral over a polydisperse scale factor is indistinguishable from a monodisperse scale factor equal to the weighted average of the polydisperse scale factor.

Is solvent fraction ''x'' supposed to be polydisperse? In which case with different spheres absorbing different amounts of solvent, shouldn't the underlying ''radius'' be increased and ''sld'' adjusted toward ''sld_solvent'' as solvent fraction increases? As it is now, being a scale factor on the sphere form, there is no reason to make it polydisperse.

As contrast is reduced by solvent fraction in the sphere, shouldn't the sphere form factor be reduced by the squared fraction? This would occur automatically if ''sld'' were adjusted toward ''sld_solvent'' by factor ''(1-x)''.

Migrated from http://trac.sasview.org/ticket/605

{
    "status": "closed",
    "changetime": "2016-10-10T21:52:22",
    "_ts": "2016-10-10 21:52:22.851332+00:00",
    "description": "Improve description of ''phi'' and ''x'' parameters.  Is ''phi'' supposed to be volume fraction of spheres, and ''x'' the solvent fraction within spheres?  The redundant ''scale'' parameter is automatically included in all models, and has been removed.\n\nDocumentation, including equations, needs to reflect the additional parameters.\n\n''phi'' need not be polydisperse; the integral over a polydisperse scale factor is indistinguishable from a monodisperse scale factor equal to the weighted average of the polydisperse scale factor.\n\nIs solvent fraction ''x'' supposed to be polydisperse?  In which case with different spheres absorbing different amounts of solvent, shouldn't the underlying ''radius'' be increased and ''sld'' adjusted toward ''sld_solvent'' as solvent fraction increases?  As it is now, being a scale factor on the sphere form, there is no reason to make it polydisperse.\n\nAs contrast is reduced by solvent fraction in the sphere, shouldn't the sphere form factor be reduced by the squared fraction?  This would occur automatically if ''sld'' were adjusted toward ''sld_solvent'' by factor ''(1-x)''.\n",
    "reporter": "pkienzle",
    "cc": "",
    "resolution": "obsolete",
    "workpackage": "SasView Bug Fixing",
    "time": "2016-07-31T22:31:16",
    "component": "SasView",
    "summary": "swollen sphere parameterization",
    "priority": "major",
    "keywords": "",
    "milestone": "SasView Next Release +1",
    "owner": "",
    "type": "defect"
}
@pkienzle pkienzle added this to the SasView Next Release +1 milestone Mar 30, 2019
@pkienzle pkienzle added Defect Bug or undesirable behaviour Incomplete Migration Major Big change in the code or important change in behaviour and removed Incomplete Migration labels Mar 30, 2019
@pkienzle
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Trac update at 2016/08/30 16:28:18: pkienzle changed milestone from "SasView 4.0.0" to "SasView Next Release +1"

@butlerpd
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Trac update at 2016/10/10 21:52:22:

  • butler commented:

This model was one being written by ILL summer student in Summer 2016 but was then removed due to massive issues with the commit before the release -- at some point a new version may be put in by Miguel but seems to be in limbo so closing this ticket. If and when such a model does get submitted it should be reviewed from scratch.

  • butler changed resolution from "" to "obsolete"
  • butler changed status from "new" to "closed"

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