[829eee9] | 1 | #!/usr/bin/env python |
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[3db3895] | 2 | """ |
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| 3 | Provide I(q) = I_0 exp ( - R_g^2 q^2 / 3.0) |
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| 4 | Guinier function as a BaseComponent model |
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[829eee9] | 5 | """ |
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| 6 | |
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| 7 | from sans.models.BaseComponent import BaseComponent |
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| 8 | import math |
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| 9 | |
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| 10 | class GuinierModel(BaseComponent): |
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[3db3895] | 11 | """ |
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| 12 | Class that evaluates a Guinier model. |
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[829eee9] | 13 | |
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[3db3895] | 14 | I(q) = I_0 exp ( - R_g^2 q^2 / 3.0 ) |
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[800fc80] | 15 | |
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[829eee9] | 16 | List of default parameters: |
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[3db3895] | 17 | I_0 = Scale |
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| 18 | R_g = Radius of gyration |
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| 19 | |
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[829eee9] | 20 | """ |
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| 21 | |
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| 22 | def __init__(self): |
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| 23 | """ Initialization """ |
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| 24 | |
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| 25 | # Initialize BaseComponent first, then sphere |
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| 26 | BaseComponent.__init__(self) |
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| 27 | |
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| 28 | ## Name of the model |
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| 29 | self.name = "Guinier" |
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[1ed3834] | 30 | self.description=""" I(q) = I_0 exp ( - R_g^2 q^2 / 3.0 ) |
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| 31 | |
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| 32 | List of default parameters: |
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| 33 | I_0 = Scale |
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| 34 | R_g = Radius of gyration""" |
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[829eee9] | 35 | ## Define parameters |
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| 36 | self.params = {} |
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[3db3895] | 37 | self.params['scale'] = 1.0 |
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[800fc80] | 38 | self.params['rg'] = 60 |
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[829eee9] | 39 | |
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| 40 | ## Parameter details [units, min, max] |
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| 41 | self.details = {} |
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[0824909] | 42 | self.details['scale'] = ['[1/cm]', None, None] |
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[1ed3834] | 43 | self.details['rg'] = ['[A]', None, None] |
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[988130c6] | 44 | #list of parameter that cannot be fitted |
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| 45 | self.fixed= [] |
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[829eee9] | 46 | def _guinier(self, x): |
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[3db3895] | 47 | return self.params['scale'] * math.exp( -(self.params['rg']*x)**2 / 3.0 ) |
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[829eee9] | 48 | |
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| 49 | def run(self, x = 0.0): |
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| 50 | """ Evaluate the model |
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[3db3895] | 51 | @param x: input q-value (float or [float, float] as [r, theta]) |
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[829eee9] | 52 | @return: (guinier value) |
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| 53 | """ |
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| 54 | if x.__class__.__name__ == 'list': |
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[a55fac1] | 55 | return self._guinier(x[0]) |
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[829eee9] | 56 | elif x.__class__.__name__ == 'tuple': |
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| 57 | raise ValueError, "Tuples are not allowed as input to BaseComponent models" |
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| 58 | else: |
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| 59 | return self._guinier(x) |
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| 60 | |
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| 61 | def runXY(self, x = 0.0): |
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| 62 | """ Evaluate the model |
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[3db3895] | 63 | @param x: input q-value (float or [float, float] as [qx, qy]) |
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[829eee9] | 64 | @return: guinier value |
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| 65 | """ |
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| 66 | if x.__class__.__name__ == 'list': |
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[a55fac1] | 67 | q = math.sqrt(x[0]**2 + x[1]**2) |
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| 68 | return self._guinier(q) |
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[829eee9] | 69 | elif x.__class__.__name__ == 'tuple': |
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| 70 | raise ValueError, "Tuples are not allowed as input to BaseComponent models" |
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| 71 | else: |
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| 72 | return self._guinier(x) |
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