Changeset db1d9d5 in sasmodels for sasmodels/models/flexible_cylinder_elliptical.py
- Timestamp:
- Mar 28, 2019 5:16:51 PM (5 years ago)
- Branches:
- master, ticket-1257-vesicle-product, ticket_1156, ticket_822_more_unit_tests
- Children:
- 8795b6f
- Parents:
- a34b811
- File:
-
- 1 edited
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sasmodels/models/flexible_cylinder_elliptical.py
r0507e09 rdb1d9d5 4 4 The non-negligible diameter of the cylinder is included by accounting 5 5 for excluded volume interactions within the walk of a single cylinder. 6 **Inter-cylinder interactions are NOT provided for.** 7 6 8 The form factor is normalized by the particle volume such that 7 9 … … 24 26 ----------- 25 27 26 The function calculated in a similar way to that for the flexible_cylinder model 27 from the reference given below using the author's "Method 3 With Excluded Volume". 28 The function is calculated in a similar way to that for the 29 :ref:`flexible-cylinder` model in reference [1] below using the author's 30 "Method 3 With Excluded Volume". 31 28 32 The model is a parameterization of simulations of a discrete representation of 29 33 the worm-like chain model of Kratky and Porod applied in the pseudo-continuous … … 33 37 34 38 There are several typos in the original reference that have been corrected 35 by WRC . Details of the corrections are in the reference below. Most notably39 by WRC [2]. Details of the corrections are in the reference below. Most notably 36 40 37 41 - Equation (13): the term $(1 - w(QR))$ should swap position with $w(QR)$ … … 41 45 code. 42 46 43 - Equation (27) should be $q0 = max(a3/ sqrt(RgSquare),3)$ instead of44 $max(a3*b /sqrt(RgSquare),3)$47 - Equation (27) should be $q0 = max(a3/(Rg^2)^{1/2},3)$ instead of 48 $max(a3*b(Rg^2)^{1/2},3)$ 45 49 46 50 - The scattering function is negative for a range of parameter values and … … 58 62 59 63 The cross section of the cylinder is elliptical, with minor radius $a$ . 60 The major radius is larger, so of course, **the axis ratio (parameter 5)must be64 The major radius is larger, so of course, **the axis_ratio must be 61 65 greater than one.** Simple constraints should be applied during curve fitting to 62 66 maintain this inequality. 63 64 The returned value is in units of $cm^{-1}$, on absolute scale.65 67 66 68 In the parameters, the $sld$ and $sld\_solvent$ represent the SLD of the … … 69 71 these parameters must be held fixed during model fitting. 70 72 71 **No inter-cylinder interference effects are included in this calculation.** 73 **This is a model with complex behaviour depending on the ratio of** $L/b$ **and the 74 reader is strongly encouraged to read reference [1] before use.** 72 75 73 76 References … … 87 90 `flexible_cylinder_elliptical.c <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/flexible_cylinder_elliptical.c>`_ 88 91 92 `wrc_cyl.c <https://github.com/SasView/sasmodels/blob/master/sasmodels/models/lib/wrc_cyl.c>`_ 93 89 94 Authorship and Verification 90 95 ---------------------------- 91 96 92 * **Author:** 93 * **Last Modified by:** 94 * **Last Reviewed by:** 97 * **Author:** 98 * **Last Modified by:** Richard Heenan **Date:** December, 2016 99 * **Last Reviewed by:** Steve King **Date:** March 26, 2019 95 100 * **Source added by :** Steve King **Date:** March 25, 2019 96 101 """
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