[ae3ce4e] | 1 | #!/usr/bin/env python |
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[79ac6f8] | 2 | |
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[ae60f86] | 3 | """ |
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[79ac6f8] | 4 | Provide base functionality for all model components |
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[ae3ce4e] | 5 | """ |
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| 6 | |
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| 7 | # imports |
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| 8 | import copy |
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[83a25da] | 9 | import numpy |
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[988130c6] | 10 | #TO DO: that about a way to make the parameter |
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| 11 | #is self return if it is fittable or not |
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[836fe6e] | 12 | |
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[ae3ce4e] | 13 | class BaseComponent: |
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[ae60f86] | 14 | """ |
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[79ac6f8] | 15 | Basic model component |
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| 16 | |
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| 17 | Since version 0.5.0, basic operations are no longer supported. |
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[ae3ce4e] | 18 | """ |
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| 19 | |
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| 20 | def __init__(self): |
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| 21 | """ Initialization""" |
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| 22 | |
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| 23 | ## Name of the model |
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[79ac6f8] | 24 | self.name = "BaseComponent" |
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[ae3ce4e] | 25 | |
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| 26 | ## Parameters to be accessed by client |
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| 27 | self.params = {} |
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[3db3895] | 28 | self.details = {} |
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[d30fdde] | 29 | ## Dictionary used to store the dispersity/averaging |
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| 30 | # parameters of dispersed/averaged parameters. |
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| 31 | self.dispersion = {} |
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[5f89fb8] | 32 | # string containing information about the model such as the equation |
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| 33 | #of the given model, exception or possible use |
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[7fdb332] | 34 | self.description = '' |
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[c9636f7] | 35 | #list of parameter that can be fitted |
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[35aface] | 36 | self.fixed = [] |
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| 37 | #list of non-fittable parameter |
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| 38 | self.non_fittable = [] |
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[25a608f5] | 39 | ## parameters with orientation |
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[35aface] | 40 | self.orientation_params = [] |
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[318b5bbb] | 41 | ## magnetic parameters |
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| 42 | self.magnetic_params = [] |
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[c3e4a7fa] | 43 | ## store dispersity reference |
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| 44 | self._persistency_dict = {} |
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[0145a25] | 45 | ## independent parameter name and unit [string] |
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| 46 | self.input_name = "Q" |
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| 47 | self.input_unit = "A^{-1}" |
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| 48 | ## output name and unit [string] |
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| 49 | self.output_name = "Intensity" |
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| 50 | self.output_unit = "cm^{-1}" |
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| 51 | |
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[ae3ce4e] | 52 | def __str__(self): |
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[ae60f86] | 53 | """ |
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[79ac6f8] | 54 | :return: string representatio |
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| 55 | |
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[ae3ce4e] | 56 | """ |
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| 57 | return self.name |
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| 58 | |
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[988130c6] | 59 | def is_fittable(self, par_name): |
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[c9636f7] | 60 | """ |
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[79ac6f8] | 61 | Check if a given parameter is fittable or not |
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| 62 | |
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| 63 | :param par_name: the parameter name to check |
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| 64 | |
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[c9636f7] | 65 | """ |
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| 66 | return par_name.lower() in self.fixed |
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[988130c6] | 67 | #For the future |
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[836fe6e] | 68 | #return self.params[str(par_name)].is_fittable() |
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[988130c6] | 69 | |
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[7fdb332] | 70 | def run(self, x): |
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| 71 | """ |
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| 72 | run 1d |
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| 73 | """ |
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| 74 | return NotImplemented |
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| 75 | |
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| 76 | def runXY(self, x): |
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| 77 | """ |
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| 78 | run 2d |
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| 79 | """ |
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| 80 | return NotImplemented |
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| 81 | |
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| 82 | def calculate_ER(self): |
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| 83 | """ |
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| 84 | Calculate effective radius |
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| 85 | """ |
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| 86 | return NotImplemented |
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| 87 | |
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| 88 | def calculate_VR(self): |
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| 89 | """ |
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| 90 | Calculate volume fraction ratio |
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| 91 | """ |
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| 92 | return NotImplemented |
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| 93 | |
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[83a25da] | 94 | def evalDistribution(self, qdist): |
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| 95 | """ |
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[79ac6f8] | 96 | Evaluate a distribution of q-values. |
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| 97 | |
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| 98 | * For 1D, a numpy array is expected as input: |
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| 99 | |
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[2f1a0dc] | 100 | evalDistribution(q) |
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[ecc58e72] | 101 | |
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[79ac6f8] | 102 | where q is a numpy array. |
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| 103 | |
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| 104 | |
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| 105 | * For 2D, a list of numpy arrays are expected: [qx_prime,qy_prime], |
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| 106 | where 1D arrays, |
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| 107 | |
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| 108 | qx_prime = [ qx[0], qx[1], qx[2], ....] |
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| 109 | and |
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| 110 | qy_prime = [ qy[0], qy[1], qy[2], ....] |
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| 111 | |
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| 112 | Then get |
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| 113 | q = numpy.sqrt(qx_prime^2+qy_prime^2) |
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| 114 | |
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| 115 | that is a qr in 1D array; |
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| 116 | q = [q[0], q[1], q[2], ....] |
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| 117 | |
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| 118 | :Note: Due to 2D speed issue, no anisotropic scattering |
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| 119 | is supported for python models, thus C-models should have |
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| 120 | their own evalDistribution methods. |
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| 121 | |
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| 122 | The method is then called the following way: |
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| 123 | |
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| 124 | evalDistribution(q) |
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| 125 | where q is a numpy array. |
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| 126 | |
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| 127 | :param qdist: ndarray of scalar q-values or list [qx,qy] |
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| 128 | where qx,qy are 1D ndarrays |
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| 129 | |
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[83a25da] | 130 | """ |
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[ecc58e72] | 131 | if qdist.__class__.__name__ == 'list': |
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| 132 | # Check whether we have a list of ndarrays [qx,qy] |
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| 133 | if len(qdist)!=2 or \ |
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| 134 | qdist[0].__class__.__name__ != 'ndarray' or \ |
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| 135 | qdist[1].__class__.__name__ != 'ndarray': |
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[7fdb332] | 136 | msg = "evalDistribution expects a list of 2 ndarrays" |
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| 137 | raise RuntimeError, msg |
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[ecc58e72] | 138 | |
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| 139 | # Extract qx and qy for code clarity |
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| 140 | qx = qdist[0] |
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| 141 | qy = qdist[1] |
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| 142 | |
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[2f1a0dc] | 143 | # calculate q_r component for 2D isotropic |
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| 144 | q = numpy.sqrt(qx**2+qy**2) |
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| 145 | # vectorize the model function runXY |
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[7fdb332] | 146 | v_model = numpy.vectorize(self.runXY, otypes=[float]) |
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[2f1a0dc] | 147 | # calculate the scattering |
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| 148 | iq_array = v_model(q) |
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| 149 | |
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[ecc58e72] | 150 | return iq_array |
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| 151 | |
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| 152 | elif qdist.__class__.__name__ == 'ndarray': |
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[7fdb332] | 153 | # We have a simple 1D distribution of q-values |
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| 154 | v_model = numpy.vectorize(self.runXY, otypes=[float]) |
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| 155 | iq_array = v_model(qdist) |
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| 156 | return iq_array |
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[83a25da] | 157 | |
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[ecc58e72] | 158 | else: |
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| 159 | mesg = "evalDistribution is expecting an ndarray of scalar q-values" |
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| 160 | mesg += " or a list [qx,qy] where qx,qy are 2D ndarrays." |
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| 161 | raise RuntimeError, mesg |
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[2f1a0dc] | 162 | |
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| 163 | |
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[83a25da] | 164 | |
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[ae3ce4e] | 165 | def clone(self): |
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| 166 | """ Returns a new object identical to the current object """ |
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| 167 | obj = copy.deepcopy(self) |
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[8809e48] | 168 | return self._clone(obj) |
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| 169 | |
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| 170 | def _clone(self, obj): |
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| 171 | """ |
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[79ac6f8] | 172 | Internal utility function to copy the internal |
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| 173 | data members to a fresh copy. |
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[8809e48] | 174 | """ |
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[ae60f86] | 175 | obj.params = copy.deepcopy(self.params) |
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| 176 | obj.details = copy.deepcopy(self.details) |
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| 177 | obj.dispersion = copy.deepcopy(self.dispersion) |
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[138c139] | 178 | obj._persistency_dict = copy.deepcopy( self._persistency_dict) |
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[ae3ce4e] | 179 | return obj |
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[045be84d] | 180 | |
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[4ce74b44] | 181 | def set_dispersion(self, parameter, dispersion): |
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[045be84d] | 182 | """ |
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| 183 | model dispersions |
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| 184 | """ |
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[4ce74b44] | 185 | ##Not Implemented |
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| 186 | return None |
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[045be84d] | 187 | |
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| 188 | def getProfile(self): |
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| 189 | """ |
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| 190 | Get SLD profile |
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| 191 | |
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| 192 | : return: (z, beta) where z is a list of depth of the transition points |
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| 193 | beta is a list of the corresponding SLD values |
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| 194 | """ |
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| 195 | #Not Implemented |
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| 196 | return None, None |
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| 197 | |
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[ae3ce4e] | 198 | def setParam(self, name, value): |
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[ae60f86] | 199 | """ |
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[79ac6f8] | 200 | Set the value of a model parameter |
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| 201 | |
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| 202 | :param name: name of the parameter |
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| 203 | :param value: value of the parameter |
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[ae3ce4e] | 204 | |
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| 205 | """ |
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[ae60f86] | 206 | # Look for dispersion parameters |
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| 207 | toks = name.split('.') |
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| 208 | if len(toks)==2: |
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| 209 | for item in self.dispersion.keys(): |
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| 210 | if item.lower()==toks[0].lower(): |
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| 211 | for par in self.dispersion[item]: |
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| 212 | if par.lower() == toks[1].lower(): |
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| 213 | self.dispersion[item][par] = value |
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| 214 | return |
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| 215 | else: |
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| 216 | # Look for standard parameter |
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| 217 | for item in self.params.keys(): |
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| 218 | if item.lower()==name.lower(): |
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| 219 | self.params[item] = value |
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| 220 | return |
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| 221 | |
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| 222 | raise ValueError, "Model does not contain parameter %s" % name |
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[ae3ce4e] | 223 | |
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[ae60f86] | 224 | def getParam(self, name): |
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| 225 | """ |
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[79ac6f8] | 226 | Set the value of a model parameter |
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[ae60f86] | 227 | |
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[79ac6f8] | 228 | :param name: name of the parameter |
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| 229 | |
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[ae3ce4e] | 230 | """ |
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[ae60f86] | 231 | # Look for dispersion parameters |
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[ae3ce4e] | 232 | toks = name.split('.') |
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[ae60f86] | 233 | if len(toks)==2: |
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| 234 | for item in self.dispersion.keys(): |
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| 235 | if item.lower()==toks[0].lower(): |
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| 236 | for par in self.dispersion[item]: |
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| 237 | if par.lower() == toks[1].lower(): |
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| 238 | return self.dispersion[item][par] |
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| 239 | else: |
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| 240 | # Look for standard parameter |
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| 241 | for item in self.params.keys(): |
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| 242 | if item.lower()==name.lower(): |
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| 243 | return self.params[item] |
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| 244 | |
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| 245 | raise ValueError, "Model does not contain parameter %s" % name |
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| 246 | |
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[ae3ce4e] | 247 | def getParamList(self): |
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| 248 | """ |
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[79ac6f8] | 249 | Return a list of all available parameters for the model |
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[ae60f86] | 250 | """ |
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| 251 | list = self.params.keys() |
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| 252 | # WARNING: Extending the list with the dispersion parameters |
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| 253 | list.extend(self.getDispParamList()) |
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| 254 | return list |
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| 255 | |
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| 256 | def getDispParamList(self): |
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| 257 | """ |
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[79ac6f8] | 258 | Return a list of all available parameters for the model |
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[ae60f86] | 259 | """ |
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| 260 | list = [] |
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| 261 | |
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| 262 | for item in self.dispersion.keys(): |
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| 263 | for p in self.dispersion[item].keys(): |
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| 264 | if p not in ['type']: |
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| 265 | list.append('%s.%s' % (item.lower(), p.lower())) |
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| 266 | |
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| 267 | return list |
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| 268 | |
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| 269 | # Old-style methods that are no longer used |
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[7fdb332] | 270 | def setParamWithToken(self, name, value, token, member): |
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| 271 | """ |
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| 272 | set Param With Token |
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| 273 | """ |
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| 274 | return NotImplemented |
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| 275 | def getParamWithToken(self, name, token, member): |
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| 276 | """ |
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| 277 | get Param With Token |
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| 278 | """ |
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| 279 | return NotImplemented |
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| 280 | |
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| 281 | def getParamListWithToken(self, token, member): |
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| 282 | """ |
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| 283 | get Param List With Token |
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| 284 | """ |
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| 285 | return NotImplemented |
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| 286 | def __add__(self, other): |
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| 287 | """ |
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| 288 | add |
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| 289 | """ |
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| 290 | raise ValueError, "Model operation are no longer supported" |
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| 291 | def __sub__(self, other): |
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| 292 | """ |
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| 293 | sub |
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| 294 | """ |
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| 295 | raise ValueError, "Model operation are no longer supported" |
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| 296 | def __mul__(self, other): |
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| 297 | """ |
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| 298 | mul |
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| 299 | """ |
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| 300 | raise ValueError, "Model operation are no longer supported" |
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| 301 | def __div__(self, other): |
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| 302 | """ |
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| 303 | div |
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| 304 | """ |
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| 305 | raise ValueError, "Model operation are no longer supported" |
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[ae60f86] | 306 | |
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