[829eee9] | 1 | #!/usr/bin/env python |
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| 2 | """ |
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[3db3895] | 3 | Failed attempt at a Beaucage model. |
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[829eee9] | 4 | """ |
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[3db3895] | 5 | #TODO: Clean this up |
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| 6 | #TODO: Remove setValueParam, which doesn't belong in this class! |
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| 7 | # It totally breaks the philosophy of this class |
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[829eee9] | 8 | |
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| 9 | from sans.models.BaseComponent import BaseComponent |
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| 10 | import math |
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| 11 | import matplotlib |
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| 12 | from scipy.special import erf |
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| 13 | class UnifiedPowerLawModel(BaseComponent): |
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| 14 | |
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| 15 | """ |
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| 16 | Class that evaluates a Unified Power_Law model. |
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| 17 | |
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| 18 | F(x) = bkd + sum(G[i]*exp(-x**2 *Rg[i]**2 /3)) \ |
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| 19 | + [B[i]( erf(x*Rg[i]/math.sqrt(6)))** (3*p[i])]/x**p[i] ) |
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| 20 | |
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| 21 | For each level four parameters must be chosen |
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| 22 | The model has 5 parameters: |
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| 23 | Gi = ? |
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| 24 | Rgi = Guinier Radius |
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| 25 | Pi = power for each level |
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| 26 | Bi = ? |
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| 27 | Four Levels can be used |
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| 28 | i is each level |
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| 29 | |
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| 30 | """ |
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| 31 | |
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| 32 | def __init__(self): |
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| 33 | """ Initialization """ |
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| 34 | |
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| 35 | # Initialize BaseComponent first, then sphere |
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| 36 | BaseComponent.__init__(self) |
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| 37 | |
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| 38 | ## Name of the model |
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| 39 | self.name = " UnifiedPowerLaw " |
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| 40 | # default Number of levels |
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| 41 | |
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| 42 | self.LevelTotal =2 |
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| 43 | |
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| 44 | ## Define parameters |
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| 45 | self.params = {} |
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| 46 | |
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| 47 | for i in xrange(self.LevelTotal): |
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| 48 | self.params['G'+ str(i+1)]= 0.0 |
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| 49 | self.params['B'+ str(i+1)]= 0.0 |
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| 50 | self.params['Rg'+ str(i+1)]= 0.0 |
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| 51 | self.params['P'+ str(i+1)]= 0.0 |
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| 52 | |
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| 53 | ## input Variables with default values for two levels |
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| 54 | |
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| 55 | self.params['G1'] = 400.0 |
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| 56 | self.params['G2'] = 3.0 |
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| 57 | |
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| 58 | self.params['B1'] = 5 * math.exp(-6) |
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| 59 | self.params['B2'] = 0.0006 |
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| 60 | |
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| 61 | self.params['Rg1'] = 200.0 |
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| 62 | self.params['Rg2'] = 100.0 |
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| 63 | |
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| 64 | self.params['P1'] = 4.0 |
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| 65 | self.params['P2'] = 2.0 |
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| 66 | |
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| 67 | self.params['bkd'] = 0.0 |
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| 68 | |
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| 69 | |
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| 70 | |
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| 71 | ## Parameter details [units, min, max] |
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| 72 | self.details = {} |
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| 73 | self.details['G1'] = ['cm^{-1} sr^{-1}', None, None ] |
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| 74 | self.details['G2'] = ['cm^{-1} sr^{-1}', None, None ] |
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| 75 | self.details['B1'] = ['cm^{-1} sr^{-1}', None, None ] |
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| 76 | self.details['B2'] = ['cm^{-1} sr^{-1}', None, None ] |
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| 77 | self.details['Rg1'] = ['A', None, None ] |
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| 78 | self.details['Rg2'] = ['A', None, None ] |
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| 79 | self.details['P1'] = ['', None, None ] |
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| 80 | self.details['P2'] = ['', None, None ] |
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| 81 | self.details['bkd'] = ['cm^{-1} sr^{-1}', None, None] |
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| 82 | |
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| 83 | def getValue(self, paramType,level): |
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| 84 | |
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| 85 | return self.getParam(str(paramType)+str(level)) |
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| 86 | |
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| 87 | def setValueParam(self,level,Bvalue,Rgvalue,Gvalue,Pvalue): |
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| 88 | """ |
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| 89 | set value of parameter given a level |
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| 90 | """ |
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| 91 | self.params['G'+str(level)] = Gvalue |
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| 92 | self.params['B'+str(level)] = Bvalue |
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| 93 | self.params['Rg'+str(level)]= Rgvalue |
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| 94 | self.params['P'+str(level)] = Pvalue |
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| 95 | # set the number total of level for the sum |
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| 96 | if self.LevelTotal < level: |
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| 97 | self.LevelTotal = level |
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| 98 | |
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| 99 | # set parameter details |
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| 100 | self.details['G'+str(level)] = ['cm^{-1} sr^{-1}', None, None ] |
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| 101 | self.details['B'+str(level)] = ['cm^{-1} sr^{-1}', None, None ] |
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| 102 | self.details['Rg'+str(level)] = ['A', None, None ] |
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| 103 | self.details['P'+str(level)] = ['', None, None ] |
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| 104 | |
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| 105 | |
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| 106 | def _Sum(self,x): |
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| 107 | """ |
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| 108 | Calculate the sum of Gi*exp(-x^(2)*Rgi^(2)/3) |
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| 109 | """ |
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| 110 | sum =0 |
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| 111 | # the default level is 2 and we are using the default values |
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| 112 | if (self.LevelTotal <= 2)and (self.LevelTotal > 1): |
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| 113 | return self.params['G1']*math.exp(-(x**2)* (self.params['Rg1']**2)/3)+\ |
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| 114 | self.params['G2']*math.exp(-(x**2)* (self.params['Rg2']**2)/3) |
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| 115 | # For level higher than 2 |
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| 116 | else: |
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| 117 | for i in xrange(self.LevelTotal): |
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| 118 | sum =sum +self.params['G'+str(i+1)]*math.exp(-(x**2)* (self.params['Rg'+str(i+1)]**2)/3) |
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| 119 | return sum |
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| 120 | |
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| 121 | |
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| 122 | def _UnifiedPow(self,level,x ): |
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| 123 | """ |
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| 124 | Calculates the values of the Unified Power Law function |
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| 125 | @param level: user should enters the level of computation else level =2 |
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| 126 | will be used |
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| 127 | @param x: a number |
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| 128 | """ |
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| 129 | |
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| 130 | return self.params['bkd']+self._Sum(x)+ (self.params['B'+str(level)]*\ |
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| 131 | math.pow(erf(x * self.params['Rg'+str(level)]/math.sqrt(6))\ |
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| 132 | ,3 * self.params['P'+str(level)]))/math.pow(x,self.params['P'+str(level)]) |
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| 133 | |
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| 134 | def run(self, level,x = 0.0): |
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| 135 | """ Evaluate the model |
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| 136 | @param x: simple value |
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| 137 | @param level : level of computation |
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| 138 | @return: (Unified Power law value) |
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| 139 | """ |
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| 140 | if x.__class__.__name__ == 'list': |
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| 141 | return self._UnifiedPow(level, x[0]*math.cos(x[1]))*\ |
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| 142 | self.__UnifiedPow(level, x[0]*math.sin(x[1])) |
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| 143 | elif x.__class__.__name__ == 'tuple': |
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| 144 | raise ValueError, "Tuples are not allowed as input to BaseComponent models" |
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| 145 | else: |
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| 146 | return self._UnifiedPow(level,x) |
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| 147 | |
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| 148 | def runXY(self,level, x = 0.0): |
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| 149 | """ Evaluate the model |
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| 150 | @param x: simple value |
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| 151 | @param level : level of computation |
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| 152 | @return: Unified Power law value |
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| 153 | """ |
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| 154 | if x.__class__.__name__ == 'list': |
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| 155 | return self._UnifiedPow(level, x[0])*self._UnifiedPow(level,x[1]) |
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| 156 | elif x.__class__.__name__ == 'tuple': |
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| 157 | raise ValueError, "Tuples are not allowed as input to BaseComponent models" |
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| 158 | else: |
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| 159 | return self._UnifiedPow(level, x) |
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