source: sasmodels/sasmodels/models/two_power_law.py @ 2c74c11

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Last change on this file since 2c74c11 was 2c74c11, checked in by Paul Kienzle <pkienzle@…>, 8 years ago

implicit Iqxy; fix divide by 0 for q=0

  • Property mode set to 100644
File size: 4.0 KB
Line 
1r"""
2Definition
3----------
4
5The scattering intensity $I(q)$ is calculated as
6
7.. math::
8
9    I(q) = \begin{cases}
10    A q^{-m1} + \text{background} & q <= q_c \\
11    C q^{-m2} + \text{background} & q > q_c
12    \end{cases}
13
14where $q_c$ = the location of the crossover from one slope to the other,
15$A$ = the scaling coefficent that sets the overall intensity of the lower Q
16power law region, $m1$ = power law exponent at low Q, and $m2$ = power law
17exponent at high Q.  The scaling of the second power law region (coefficent C)
18is then automatically scaled to match the first by following formula:
19
20.. math::
21    C = \frac{A q_c^{m2}}{q_c^{m1}}
22
23.. note::
24    Be sure to enter the power law exponents as positive values!
25
26For 2D data the scattering intensity is calculated in the same way as 1D,
27where the $q$ vector is defined as
28
29.. math::
30
31    q = \sqrt{q_x^2 + q_y^2}
32
33
34References
35----------
36
37None.
38
39**Author:** NIST IGOR/DANSE **on:** pre 2010
40
41**Last Modified by:** Wojciech Wpotrzebowski **on:** February 18, 2016
42
43**Last Reviewed by:** Paul Butler **on:** March 21, 2016
44"""
45
46from numpy import inf, power, empty, errstate
47
48name = "two_power_law"
49title = "This model calculates an empirical functional form for SAS data \
50characterized by two power laws."
51description = """
52            I(q) = coef_A*pow(qval,-1.0*power1) + background for q<=q_c
53            =C*pow(qval,-1.0*power2) + background for q>q_c
54            where C=coef_A*pow(q_c,-1.0*power1)/pow(q_c,-1.0*power2).
55
56            coef_A = scaling coefficent
57            q_c = crossover location [1/A]
58            power_1 (=m1) = power law exponent at low Q
59            power_2 (=m2) = power law exponent at high Q
60            background = Incoherent background [1/cm]
61        """
62category = "shape-independent"
63
64#            ["name", "units", default, [lower, upper], "type", "description"],
65parameters = [["coefficent_1",  "",         1.0, [-inf, inf], "",
66               "coefficent A in low Q region"],
67              ["crossover",     "1/Ang",    0.04,[0, inf],    "",
68               "crossover location"],
69              ["power_1",       "",         1.0, [0, inf],    "",
70               "power law exponent at low Q"],
71              ["power_2",       "",         4.0, [0, inf],    "",
72               "power law exponent at high Q"],
73             ]
74
75
76def Iq(q,
77       coefficent_1=1.0,
78       crossover=0.04,
79       power_1=1.0,
80       power_2=4.0,
81      ):
82
83    """
84    :param q:                   Input q-value (float or [float, float])
85    :param coefficent_1:        Scaling coefficent at low Q
86    :param crossover:           Crossover location
87    :param power_1:             Exponent of power law function at low Q
88    :param power_2:             Exponent of power law function at high Q
89    :return:                    Calculated intensity
90    """
91    iq = empty(q.shape, 'd')
92    idx = (q <= crossover)
93    with errstate(divide='ignore'):
94        coefficent_2 = coefficent_1 * power(crossover, power_2 - power_1)
95        iq[idx] = coefficent_1 * power(q[idx], -power_1)
96        iq[~idx] = coefficent_2 * power(q[~idx], -power_2)
97    return iq
98
99Iq.vectorized = True  # Iq accepts an array of q values
100
101demo = dict(scale=1, background=0.0,
102            coefficent_1=1.0,
103            crossover=0.04,
104            power_1=1.0,
105            power_2=4.0)
106
107tests = [
108    # Accuracy tests based on content in test/utest_extra_models.py
109    [{'coefficent_1':     1.0,
110      'crossover':  0.04,
111      'power_1':    1.0,
112      'power_2':    4.0,
113      'background': 0.0,
114     }, 0.001, 1000],
115
116    [{'coefficent_1':     1.0,
117      'crossover':  0.04,
118      'power_1':    1.0,
119      'power_2':    4.0,
120      'background': 0.0,
121     }, 0.150141, 0.125945],
122
123    [{'coeffcent_1':    1.0,
124      'crossover':  0.04,
125      'power_1':    1.0,
126      'power_2':    4.0,
127      'background': 0.0,
128     }, 0.442528, 0.00166884],
129
130    [{'coeffcent_1':    1.0,
131      'crossover':  0.04,
132      'power_1':    1.0,
133      'power_2':    4.0,
134      'background': 0.0,
135     }, (0.442528, 0.00166884), 0.00166884],
136
137]
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