Changeset 40a87fa in sasmodels for sasmodels/models/squarewell.py


Ignore:
Timestamp:
Aug 8, 2016 11:24:11 AM (8 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
2472141
Parents:
2d65d51
Message:

lint and latex cleanup

File:
1 edited

Legend:

Unmodified
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  • sasmodels/models/squarewell.py

    r56b2687 r40a87fa  
    11# Note: model title and parameter table are inserted automatically 
    22r""" 
    3 This calculates the interparticle structure factor for a square well fluid spherical particles. The mean spherical 
    4 approximation (MSA) closure was used for this calculation, and is not the most appropriate closure for an attractive 
    5 interparticle potential. This solution has been compared to Monte Carlo simulations for a square well fluid, showing 
    6 this calculation to be limited in applicability to well depths |epsilon| < 1.5 kT and volume fractions |phi| < 0.08. 
     3This calculates the interparticle structure factor for a square well fluid 
     4spherical particles. The mean spherical approximation (MSA) closure was 
     5used for this calculation, and is not the most appropriate closure for 
     6an attractive interparticle potential. This solution has been compared 
     7to Monte Carlo simulations for a square well fluid, showing this calculation 
     8to be limited in applicability to well depths $\epsilon < 1.5$ kT and 
     9volume fractions $\phi < 0.08$. 
    710 
    8 Positive well depths correspond to an attractive potential well. Negative well depths correspond to a potential 
    9 "shoulder", which may or may not be physically reasonable. The stickyhardsphere model may be a better choice in 
     11Positive well depths correspond to an attractive potential well. Negative 
     12well depths correspond to a potential "shoulder", which may or may not be 
     13physically reasonable. The stickyhardsphere model may be a better choice in 
    1014some circumstances. Computed values may behave badly at extremely small $qR$. 
    1115 
    12 The well width (|lambda| ) is defined as multiples of the particle diameter (2\*\ *R*\ ) 
     16The well width $(\lambda)$ is defined as multiples of the particle diameter 
     17$(2 R)$. 
    1318 
    1419The interaction potential is: 
     
    2934used in the form factor $P(q)$ that this $S(q)$ is combined with. 
    3035 
    31 For 2D data: The 2D scattering intensity is calculated in the same way as 1D, where the *q* vector is defined as 
     36For 2D data: The 2D scattering intensity is calculated in the same way as 1D, 
     37where the $q$ vector is defined as 
    3238 
    3339.. math:: 
     
    130136# 
    131137tests = [ 
    132         [ {'scale': 1.0, 'background' : 0.0, 'radius_effective' : 50.0, 'volfraction' : 0.04,'welldepth' : 1.5, 'wellwidth' : 1.2,  
    133            'radius_effective_pd' : 0}, [0.001], [0.97665742]] 
    134         ] 
     138    [{'scale': 1.0, 'background' : 0.0, 'radius_effective' : 50.0, 
     139      'volfraction' : 0.04,'welldepth' : 1.5, 'wellwidth' : 1.2, 
     140      'radius_effective_pd' : 0}, 
     141     [0.001], [0.97665742]], 
     142    ] 
    135143# ADDED by: converting from sasview RKH  ON: 16Mar2016 
    136144 
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