[dc5ef15] | 1 | """ |
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| 2 | Calculation thread for modeling |
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| 3 | """ |
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| 4 | |
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| 5 | import time |
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| 6 | import numpy |
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| 7 | import math |
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| 8 | from sas.sascalc.data_util.calcthread import CalcThread |
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| 9 | from sas.sascalc.fit.MultiplicationModel import MultiplicationModel |
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[d4dac80] | 10 | import sas.qtgui.Utilities.LocalConfig as LocalConfig |
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[dc5ef15] | 11 | |
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| 12 | class Calc2D(CalcThread): |
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| 13 | """ |
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| 14 | Compute 2D model |
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| 15 | This calculation assumes a 2-fold symmetry of the model |
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| 16 | where points are computed for one half of the detector |
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| 17 | and I(qx, qy) = I(-qx, -qy) is assumed. |
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| 18 | """ |
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| 19 | def __init__(self, data, model, smearer, qmin, qmax, page_id, |
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| 20 | state=None, |
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| 21 | weight=None, |
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| 22 | fid=None, |
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| 23 | toggle_mode_on=False, |
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| 24 | completefn=None, |
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| 25 | updatefn=None, |
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| 26 | update_chisqr=True, |
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| 27 | source='model', |
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| 28 | yieldtime=0.04, |
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| 29 | worktime=0.04, |
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| 30 | exception_handler=None, |
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| 31 | ): |
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| 32 | CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime, |
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| 33 | exception_handler=exception_handler) |
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| 34 | self.qmin = qmin |
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| 35 | self.qmax = qmax |
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| 36 | self.weight = weight |
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| 37 | self.fid = fid |
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| 38 | #self.qstep = qstep |
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| 39 | self.toggle_mode_on = toggle_mode_on |
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| 40 | self.data = data |
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| 41 | self.page_id = page_id |
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| 42 | self.state = None |
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| 43 | # the model on to calculate |
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| 44 | self.model = model |
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| 45 | self.smearer = smearer |
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| 46 | self.starttime = 0 |
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| 47 | self.update_chisqr = update_chisqr |
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| 48 | self.source = source |
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| 49 | |
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| 50 | def compute(self): |
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| 51 | """ |
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| 52 | Compute the data given a model function |
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| 53 | """ |
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| 54 | self.starttime = time.time() |
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| 55 | # Determine appropriate q range |
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[cee5c78] | 56 | if self.qmin is None: |
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[dc5ef15] | 57 | self.qmin = 0 |
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[cee5c78] | 58 | if self.qmax is None: |
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| 59 | if self.data is not None: |
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[dc5ef15] | 60 | newx = math.pow(max(math.fabs(self.data.xmax), |
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| 61 | math.fabs(self.data.xmin)), 2) |
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| 62 | newy = math.pow(max(math.fabs(self.data.ymax), |
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| 63 | math.fabs(self.data.ymin)), 2) |
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| 64 | self.qmax = math.sqrt(newx + newy) |
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| 65 | |
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| 66 | if self.data is None: |
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| 67 | msg = "Compute Calc2D receive data = %s.\n" % str(self.data) |
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[b3e8629] | 68 | raise ValueError(msg) |
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[dc5ef15] | 69 | |
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| 70 | # Define matrix where data will be plotted |
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| 71 | radius = numpy.sqrt((self.data.qx_data * self.data.qx_data) + \ |
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| 72 | (self.data.qy_data * self.data.qy_data)) |
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| 73 | |
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| 74 | # For theory, qmax is based on 1d qmax |
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| 75 | # so that must be mulitified by sqrt(2) to get actual max for 2d |
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| 76 | index_model = (self.qmin <= radius) & (radius <= self.qmax) |
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| 77 | index_model = index_model & self.data.mask |
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| 78 | index_model = index_model & numpy.isfinite(self.data.data) |
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| 79 | |
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| 80 | if self.smearer is not None: |
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| 81 | # Set smearer w/ data, model and index. |
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| 82 | fn = self.smearer |
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| 83 | fn.set_model(self.model) |
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| 84 | fn.set_index(index_model) |
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| 85 | # Calculate smeared Intensity |
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| 86 | #(by Gaussian averaging): DataLoader/smearing2d/Smearer2D() |
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| 87 | value = fn.get_value() |
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| 88 | else: |
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| 89 | # calculation w/o smearing |
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| 90 | value = self.model.evalDistribution([ |
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| 91 | self.data.qx_data[index_model], |
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| 92 | self.data.qy_data[index_model] |
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| 93 | ]) |
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| 94 | output = numpy.zeros(len(self.data.qx_data)) |
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| 95 | # output default is None |
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| 96 | # This method is to distinguish between masked |
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| 97 | #point(nan) and data point = 0. |
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| 98 | output = output / output |
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| 99 | # set value for self.mask==True, else still None to Plottools |
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| 100 | output[index_model] = value |
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| 101 | elapsed = time.time() - self.starttime |
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[d4dac80] | 102 | |
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| 103 | if LocalConfig.USING_TWISTED: |
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| 104 | return (output, |
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| 105 | self.data, |
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| 106 | self.page_id, |
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| 107 | self.model, |
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| 108 | self.state, |
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| 109 | self.toggle_mode_on, |
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| 110 | elapsed, |
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| 111 | index_model, |
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| 112 | self.fid, |
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| 113 | self.qmin, |
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| 114 | self.qmax, |
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| 115 | self.weight, |
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| 116 | self.update_chisqr, |
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| 117 | self.source) |
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| 118 | else: |
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| 119 | self.complete(image=output, |
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| 120 | data=self.data, |
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| 121 | page_id=self.page_id, |
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| 122 | model=self.model, |
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| 123 | state=self.state, |
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| 124 | toggle_mode_on=self.toggle_mode_on, |
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| 125 | elapsed=elapsed, |
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| 126 | index=index_model, |
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| 127 | fid=self.fid, |
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| 128 | qmin=self.qmin, |
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| 129 | qmax=self.qmax, |
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| 130 | weight=self.weight, |
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| 131 | #qstep=self.qstep, |
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| 132 | update_chisqr=self.update_chisqr, |
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| 133 | source=self.source) |
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[dc5ef15] | 134 | |
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| 135 | |
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| 136 | class Calc1D(CalcThread): |
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| 137 | """ |
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| 138 | Compute 1D data |
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| 139 | """ |
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| 140 | def __init__(self, model, |
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| 141 | page_id, |
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| 142 | data, |
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| 143 | fid=None, |
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| 144 | qmin=None, |
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| 145 | qmax=None, |
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| 146 | weight=None, |
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| 147 | smearer=None, |
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| 148 | toggle_mode_on=False, |
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| 149 | state=None, |
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| 150 | completefn=None, |
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| 151 | update_chisqr=True, |
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| 152 | source='model', |
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| 153 | updatefn=None, |
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| 154 | yieldtime=0.01, |
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| 155 | worktime=0.01, |
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| 156 | exception_handler=None, |
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| 157 | ): |
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| 158 | """ |
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| 159 | """ |
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| 160 | CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime, |
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| 161 | exception_handler=exception_handler) |
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| 162 | self.fid = fid |
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| 163 | self.data = data |
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| 164 | self.qmin = qmin |
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| 165 | self.qmax = qmax |
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| 166 | self.model = model |
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| 167 | self.weight = weight |
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| 168 | self.toggle_mode_on = toggle_mode_on |
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| 169 | self.state = state |
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| 170 | self.page_id = page_id |
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| 171 | self.smearer = smearer |
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| 172 | self.starttime = 0 |
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| 173 | self.update_chisqr = update_chisqr |
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| 174 | self.source = source |
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| 175 | self.out = None |
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| 176 | self.index = None |
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| 177 | |
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| 178 | def compute(self): |
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| 179 | """ |
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| 180 | Compute model 1d value given qmin , qmax , x value |
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| 181 | """ |
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| 182 | self.starttime = time.time() |
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| 183 | output = numpy.zeros((len(self.data.x))) |
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| 184 | index = (self.qmin <= self.data.x) & (self.data.x <= self.qmax) |
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| 185 | |
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| 186 | # If we use a smearer, also return the unsmeared model |
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| 187 | unsmeared_output = None |
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| 188 | unsmeared_data = None |
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| 189 | unsmeared_error = None |
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| 190 | ##smearer the ouput of the plot |
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| 191 | if self.smearer is not None: |
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| 192 | first_bin, last_bin = self.smearer.get_bin_range(self.qmin, |
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| 193 | self.qmax) |
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| 194 | mask = self.data.x[first_bin:last_bin+1] |
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| 195 | unsmeared_output = numpy.zeros((len(self.data.x))) |
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| 196 | unsmeared_output[first_bin:last_bin+1] = self.model.evalDistribution(mask) |
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| 197 | output = self.smearer(unsmeared_output, first_bin, last_bin) |
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| 198 | |
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| 199 | # Rescale data to unsmeared model |
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| 200 | # Check that the arrays are compatible. If we only have a model but no data, |
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| 201 | # the length of data.y will be zero. |
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| 202 | if isinstance(self.data.y, numpy.ndarray) and output.shape == self.data.y.shape: |
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| 203 | unsmeared_data = numpy.zeros((len(self.data.x))) |
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| 204 | unsmeared_error = numpy.zeros((len(self.data.x))) |
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| 205 | unsmeared_data[first_bin:last_bin+1] = self.data.y[first_bin:last_bin+1]\ |
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| 206 | * unsmeared_output[first_bin:last_bin+1]\ |
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| 207 | / output[first_bin:last_bin+1] |
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| 208 | unsmeared_error[first_bin:last_bin+1] = self.data.dy[first_bin:last_bin+1]\ |
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| 209 | * unsmeared_output[first_bin:last_bin+1]\ |
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| 210 | / output[first_bin:last_bin+1] |
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| 211 | unsmeared_output=unsmeared_output[index] |
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| 212 | unsmeared_data=unsmeared_data[index] |
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| 213 | unsmeared_error=unsmeared_error |
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| 214 | else: |
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| 215 | output[index] = self.model.evalDistribution(self.data.x[index]) |
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| 216 | |
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| 217 | sq_values = None |
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| 218 | pq_values = None |
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| 219 | s_model = None |
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| 220 | p_model = None |
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| 221 | if isinstance(self.model, MultiplicationModel): |
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| 222 | s_model = self.model.s_model |
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| 223 | p_model = self.model.p_model |
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| 224 | elif hasattr(self.model, "get_composition_models"): |
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| 225 | p_model, s_model = self.model.get_composition_models() |
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| 226 | |
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| 227 | if p_model is not None and s_model is not None: |
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| 228 | sq_values = numpy.zeros((len(self.data.x))) |
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| 229 | pq_values = numpy.zeros((len(self.data.x))) |
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| 230 | sq_values[index] = s_model.evalDistribution(self.data.x[index]) |
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| 231 | pq_values[index] = p_model.evalDistribution(self.data.x[index]) |
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| 232 | |
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| 233 | elapsed = time.time() - self.starttime |
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| 234 | |
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[d4dac80] | 235 | if LocalConfig.USING_TWISTED: |
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| 236 | return (self.data.x[index], output[index], |
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| 237 | self.page_id, |
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| 238 | self.state, |
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| 239 | self.weight, |
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| 240 | self.fid, |
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| 241 | self.toggle_mode_on, |
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| 242 | elapsed, index, self.model, |
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| 243 | self.data, |
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| 244 | self.update_chisqr, |
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| 245 | self.source) |
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| 246 | else: |
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| 247 | self.complete(x=self.data.x[index], y=output[index], |
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| 248 | page_id=self.page_id, |
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| 249 | state=self.state, |
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| 250 | weight=self.weight, |
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| 251 | fid=self.fid, |
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| 252 | toggle_mode_on=self.toggle_mode_on, |
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| 253 | elapsed=elapsed, index=index, model=self.model, |
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| 254 | data=self.data, |
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| 255 | update_chisqr=self.update_chisqr, |
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| 256 | source=self.source, |
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| 257 | unsmeared_model=unsmeared_output, |
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| 258 | unsmeared_data=unsmeared_data, |
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| 259 | unsmeared_error=unsmeared_error, |
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| 260 | pq_model=pq_values, |
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| 261 | sq_model=sq_values) |
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[dc5ef15] | 262 | |
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| 263 | def results(self): |
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| 264 | """ |
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| 265 | Send resuts of the computation |
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| 266 | """ |
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| 267 | return [self.out, self.index] |
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