[6d6508e] | 1 | from copy import copy |
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| 2 | from os.path import abspath, basename, splitext |
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[69aa451] | 3 | |
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| 4 | import numpy as np |
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| 5 | |
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[6d6508e] | 6 | from .details import mono_details |
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[69aa451] | 7 | |
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[d19962c] | 8 | MAX_PD = 4 |
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| 9 | |
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[69aa451] | 10 | COMMON_PARAMETERS = [ |
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| 11 | ["scale", "", 1, [0, np.inf], "", "Source intensity"], |
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| 12 | ["background", "1/cm", 1e-3, [0, np.inf], "", "Source background"], |
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| 13 | ] |
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| 14 | assert (len(COMMON_PARAMETERS) == 2 |
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| 15 | and COMMON_PARAMETERS[0][0]=="scale" |
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| 16 | and COMMON_PARAMETERS[1][0]=="background"), "don't change common parameters" |
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| 17 | # assumptions about common parameters exist throughout the code, such as: |
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| 18 | # (1) kernel functions Iq, Iqxy, form_volume, ... don't see them |
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| 19 | # (2) kernel drivers assume scale is par[0] and background is par[1] |
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| 20 | # (3) mixture models drop the background on components and replace the scale |
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| 21 | # with a scale that varies from [-inf, inf] |
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| 22 | # (4) product models drop the background and reassign scale |
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| 23 | # and maybe other places. |
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| 24 | # Note that scale and background cannot be coordinated parameters whose value |
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| 25 | # depends on the some polydisperse parameter with the current implementation |
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| 26 | |
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| 27 | def make_parameter_table(pars): |
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| 28 | processed = [] |
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| 29 | for p in pars: |
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| 30 | if not isinstance(p, list) or len(p) != 6: |
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| 31 | raise ValueError("Parameter should be [name, units, default, limits, type, desc], but got %r" |
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| 32 | %str(p)) |
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| 33 | processed.append(parse_parameter(*p)) |
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| 34 | partable = ParameterTable(processed) |
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| 35 | return partable |
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| 36 | |
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| 37 | def parse_parameter(name, units='', default=None, |
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| 38 | limits=(-np.inf, np.inf), type='', description=''): |
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| 39 | # Parameter is a user facing class. Do robust type checking. |
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| 40 | if not isstr(name): |
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| 41 | raise ValueError("expected string for parameter name %r"%name) |
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| 42 | if not isstr(units): |
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| 43 | raise ValueError("expected units to be a string for %s"%name) |
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| 44 | # if limits is a list of strings, then this is a choice list |
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| 45 | # field, and limits are 1 to length of string list |
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| 46 | if isinstance(limits, list) and all(isstr(k) for k in limits): |
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| 47 | choices = limits |
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[ce896fd] | 48 | limits = [0, len(choices)-1] |
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[69aa451] | 49 | else: |
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[ce896fd] | 50 | choices = [] |
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[69aa451] | 51 | # TODO: maybe allow limits of None for (-inf, inf) |
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| 52 | try: |
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| 53 | low, high = limits |
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| 54 | if not isinstance(low, (int, float)): |
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| 55 | raise TypeError("low is not numeric") |
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| 56 | if not isinstance(high, (int, float)): |
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| 57 | raise TypeError("high is not numeric") |
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| 58 | if low >= high: |
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| 59 | raise ValueError("require low < high") |
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[ee8f734] | 60 | except Exception: |
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[69aa451] | 61 | raise ValueError("invalid limits %s for %s"%(limits, name)) |
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| 62 | |
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| 63 | if not isinstance(default, (int, float)): |
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| 64 | raise ValueError("expected default %r to be a number for %s" |
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| 65 | % (default, name)) |
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| 66 | if default < low or default > high: |
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| 67 | raise ValueError("default value %r not in range for %s" |
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| 68 | % (default, name)) |
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| 69 | |
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| 70 | if type not in ("volume", "orientation", "sld", "magnetic", ""): |
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| 71 | raise ValueError("unexpected type %r for %s" % (type, name)) |
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| 72 | |
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| 73 | if not isstr(description): |
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| 74 | raise ValueError("expected description to be a string") |
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| 75 | |
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| 76 | |
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| 77 | # Parameter id for name[n] does not include [n] |
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| 78 | if "[" in name: |
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| 79 | if not name.endswith(']'): |
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| 80 | raise ValueError("Expected name[len] for vector parameter %s"%name) |
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| 81 | pid, ref = name[:-1].split('[', 1) |
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| 82 | ref = ref.strip() |
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| 83 | else: |
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| 84 | pid, ref = name, None |
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| 85 | |
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| 86 | |
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| 87 | # automatically identify sld types |
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| 88 | if type=='' and (pid.startswith('sld') or pid.endswith('sld')): |
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| 89 | type = 'sld' |
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| 90 | |
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| 91 | # Check if using a vector definition, name[k], as the parameter name |
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| 92 | if ref: |
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| 93 | if ref == '': |
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| 94 | raise ValueError("Need to specify vector length for %s"%name) |
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| 95 | try: |
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| 96 | length = int(ref) |
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| 97 | control = None |
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[ee8f734] | 98 | except Exception: |
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[69aa451] | 99 | length = None |
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| 100 | control = ref |
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| 101 | else: |
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| 102 | length = 1 |
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| 103 | control = None |
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| 104 | |
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| 105 | # Build the parameter |
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| 106 | parameter = Parameter(name=name, units=units, default=default, |
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| 107 | limits=limits, type=type, description=description) |
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| 108 | |
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| 109 | # TODO: need better control over whether a parameter is polydisperse |
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| 110 | parameter.polydisperse = type in ('orientation', 'volume') |
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| 111 | parameter.relative_pd = type in ('volume') |
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| 112 | parameter.choices = choices |
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| 113 | parameter.length = length |
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| 114 | parameter.length_control = control |
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| 115 | |
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| 116 | return parameter |
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| 117 | |
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[ce896fd] | 118 | |
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[6d6508e] | 119 | def make_demo_pars(partable, demo): |
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[ce896fd] | 120 | """ |
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[6d6508e] | 121 | Create demo parameter set from key-value pairs. |
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[ce896fd] | 122 | |
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[6d6508e] | 123 | *demo* are the key-value pairs to use for the demo parameters. Any |
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| 124 | parameters not specified in *demo* are set from the *partable* defaults. |
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[ce896fd] | 125 | |
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[6d6508e] | 126 | If *demo* references vector fields, such as thickness[n], then support |
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[ce896fd] | 127 | different ways of assigning the demo values, including assigning a |
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| 128 | specific value (e.g., thickness3=50.0), assigning a new value to all |
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| 129 | (e.g., thickness=50.0) or assigning values using list notation. |
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| 130 | """ |
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| 131 | if demo is None: |
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| 132 | result = partable.defaults |
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| 133 | else: |
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| 134 | pars = dict((p.id, p) for p in partable.kernel_parameters) |
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| 135 | result = partable.defaults.copy() |
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| 136 | vectors = dict((name,value) for name,value in demo.items() |
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| 137 | if name in pars and pars[name].length > 1) |
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| 138 | if vectors: |
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| 139 | scalars = dict((name, value) for name, value in demo.items() |
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| 140 | if name not in pars or pars[name].length == 1) |
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| 141 | for name, value in vectors.items(): |
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| 142 | if np.isscalar(value): |
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| 143 | # support for the form |
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| 144 | # demo(thickness=0, thickness2=50) |
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[d2bb604] | 145 | for k in range(1, pars[name].length+1): |
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[ce896fd] | 146 | key = name+str(k) |
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| 147 | if key not in scalars: |
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| 148 | scalars[key] = vectors |
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| 149 | else: |
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| 150 | # supoprt for the form |
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| 151 | # demo(thickness=[20,10,3]) |
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| 152 | for (k,v) in enumerate(value): |
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| 153 | scalars[name+str(k)] = v |
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| 154 | result.update(scalars) |
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| 155 | else: |
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| 156 | result.update(demo) |
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| 157 | |
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[6d6508e] | 158 | return result |
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| 159 | |
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| 160 | def prefix_parameter(par, prefix): |
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| 161 | """ |
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| 162 | Return a copy of the parameter with its name prefixed. |
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| 163 | """ |
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| 164 | new_par = copy(par) |
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| 165 | new_par.name = prefix + par.name |
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| 166 | new_par.id = prefix + par.id |
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| 167 | |
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| 168 | def suffix_parameter(par, suffix): |
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| 169 | """ |
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| 170 | Return a copy of the parameter with its name prefixed. |
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| 171 | """ |
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| 172 | new_par = copy(par) |
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| 173 | # If name has the form x[n], replace with x_suffix[n] |
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| 174 | new_par.name = par.id + suffix + par.name[len(par.id):] |
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| 175 | new_par.id = par.id + suffix |
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[ce896fd] | 176 | |
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[69aa451] | 177 | class Parameter(object): |
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| 178 | """ |
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| 179 | The available kernel parameters are defined as a list, with each parameter |
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| 180 | defined as a sublist with the following elements: |
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| 181 | |
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| 182 | *name* is the name that will be used in the call to the kernel |
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| 183 | function and the name that will be displayed to the user. Names |
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| 184 | should be lower case, with words separated by underscore. If |
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| 185 | acronyms are used, the whole acronym should be upper case. |
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| 186 | |
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| 187 | *units* should be one of *degrees* for angles, *Ang* for lengths, |
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| 188 | *1e-6/Ang^2* for SLDs. |
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| 189 | |
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| 190 | *default value* will be the initial value for the model when it |
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| 191 | is selected, or when an initial value is not otherwise specified. |
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| 192 | |
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| 193 | *limits = [lb, ub]* are the hard limits on the parameter value, used to |
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| 194 | limit the polydispersity density function. In the fit, the parameter limits |
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| 195 | given to the fit are the limits on the central value of the parameter. |
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| 196 | If there is polydispersity, it will evaluate parameter values outside |
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| 197 | the fit limits, but not outside the hard limits specified in the model. |
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| 198 | If there are no limits, use +/-inf imported from numpy. |
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| 199 | |
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| 200 | *type* indicates how the parameter will be used. "volume" parameters |
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| 201 | will be used in all functions. "orientation" parameters will be used |
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| 202 | in *Iqxy* and *Imagnetic*. "magnetic* parameters will be used in |
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| 203 | *Imagnetic* only. If *type* is the empty string, the parameter will |
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| 204 | be used in all of *Iq*, *Iqxy* and *Imagnetic*. "sld" parameters |
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| 205 | can automatically be promoted to magnetic parameters, each of which |
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| 206 | will have a magnitude and a direction, which may be different from |
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[6e7ff6d] | 207 | other sld parameters. The volume parameters are used for calls |
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| 208 | to form_volume within the kernel (required for volume normalization) |
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| 209 | and for calls to ER and VR for effective radius and volume ratio |
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| 210 | respectively. |
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[69aa451] | 211 | |
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| 212 | *description* is a short description of the parameter. This will |
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| 213 | be displayed in the parameter table and used as a tool tip for the |
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| 214 | parameter value in the user interface. |
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| 215 | |
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| 216 | Additional values can be set after the parameter is created: |
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| 217 | |
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[6e7ff6d] | 218 | * *length* is the length of the field if it is a vector field |
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| 219 | |
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| 220 | * *length_control* is the parameter which sets the vector length |
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| 221 | |
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| 222 | * *is_control* is True if the parameter is a control parameter for a vector |
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| 223 | |
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| 224 | * *polydisperse* is true if the parameter accepts a polydispersity |
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| 225 | |
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| 226 | * *relative_pd* is true if that polydispersity is a portion of the |
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| 227 | value (so a 10% length dipsersity would use a polydispersity value of 0.1) |
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| 228 | rather than absolute dispersisity (such as an angle plus or minus |
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| 229 | 15 degrees). |
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[69aa451] | 230 | |
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| 231 | In the usual process these values are set by :func:`make_parameter_table` |
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| 232 | and :func:`parse_parameter` therein. |
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| 233 | """ |
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| 234 | def __init__(self, name, units='', default=None, limits=(-np.inf, np.inf), |
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| 235 | type='', description=''): |
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[60eab2a] | 236 | self.id = name.split('[')[0].strip() |
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[69aa451] | 237 | self.name = name |
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[d19962c] | 238 | self.units = units |
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[69aa451] | 239 | self.default = default |
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| 240 | self.limits = limits |
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| 241 | self.type = type |
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| 242 | self.description = description |
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| 243 | |
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[d19962c] | 244 | # Length and length_control will be filled in once the complete |
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[69aa451] | 245 | # parameter table is available. |
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| 246 | self.length = 1 |
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| 247 | self.length_control = None |
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[d19962c] | 248 | self.is_control = False |
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[69aa451] | 249 | |
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| 250 | # TODO: need better control over whether a parameter is polydisperse |
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| 251 | self.polydisperse = False |
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| 252 | self.relative_pd = False |
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| 253 | |
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[ce896fd] | 254 | # choices are also set externally. |
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| 255 | self.choices = [] |
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| 256 | |
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[69aa451] | 257 | def as_definition(self): |
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| 258 | """ |
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| 259 | Declare space for the variable in a parameter structure. |
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| 260 | |
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| 261 | For example, the parameter thickness with length 3 will |
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| 262 | return "double thickness[3];", with no spaces before and |
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| 263 | no new line character afterward. |
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| 264 | """ |
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| 265 | if self.length == 1: |
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| 266 | return "double %s;"%self.id |
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| 267 | else: |
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| 268 | return "double %s[%d];"%(self.id, self.length) |
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| 269 | |
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| 270 | def as_function_argument(self): |
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| 271 | """ |
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| 272 | Declare the variable as a function argument. |
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| 273 | |
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| 274 | For example, the parameter thickness with length 3 will |
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| 275 | return "double *thickness", with no spaces before and |
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| 276 | no comma afterward. |
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| 277 | """ |
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| 278 | if self.length == 1: |
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| 279 | return "double %s"%self.id |
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| 280 | else: |
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| 281 | return "double *%s"%self.id |
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| 282 | |
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| 283 | def as_call_reference(self, prefix=""): |
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| 284 | # Note: if the parameter is a struct type, then we will need to use |
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| 285 | # &prefix+id. For scalars and vectors we can just use prefix+id. |
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| 286 | return prefix + self.id |
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| 287 | |
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| 288 | def __str__(self): |
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| 289 | return "<%s>"%self.name |
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| 290 | |
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| 291 | def __repr__(self): |
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| 292 | return "P<%s>"%self.name |
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| 293 | |
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[d19962c] | 294 | |
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[69aa451] | 295 | class ParameterTable(object): |
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[d19962c] | 296 | """ |
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| 297 | ParameterTable manages the list of available parameters. |
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| 298 | |
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| 299 | There are a couple of complications which mean that the list of parameters |
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| 300 | for the kernel differs from the list of parameters that the user sees. |
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| 301 | |
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| 302 | (1) Common parameters. Scale and background are implicit to every model, |
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| 303 | but are not passed to the kernel. |
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| 304 | |
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| 305 | (2) Vector parameters. Vector parameters are passed to the kernel as a |
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| 306 | pointer to an array, e.g., thick[], but they are seen by the user as n |
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| 307 | separate parameters thick1, thick2, ... |
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| 308 | |
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| 309 | Therefore, the parameter table is organized by how it is expected to be |
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| 310 | used. The following information is needed to set up the kernel functions: |
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| 311 | |
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| 312 | * *kernel_parameters* is the list of parameters in the kernel parameter |
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| 313 | table, with vector parameter p declared as p[]. |
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| 314 | |
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| 315 | * *iq_parameters* is the list of parameters to the Iq(q, ...) function, |
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| 316 | with vector parameter p sent as p[]. |
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| 317 | |
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| 318 | * *iqxy_parameters* is the list of parameters to the Iqxy(qx, qy, ...) |
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| 319 | function, with vector parameter p sent as p[]. |
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| 320 | |
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| 321 | * *form_volume_parameters* is the list of parameters to the form_volume(...) |
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| 322 | function, with vector parameter p sent as p[]. |
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| 323 | |
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| 324 | Problem details, which sets up the polydispersity loops, requires the |
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| 325 | following: |
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| 326 | |
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| 327 | * *theta_offset* is the offset of the theta parameter in the kernel parameter |
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| 328 | table, with vector parameters counted as n individual parameters |
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| 329 | p1, p2, ..., or offset is -1 if there is no theta parameter. |
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| 330 | |
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| 331 | * *max_pd* is the maximum number of polydisperse parameters, with vector |
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| 332 | parameters counted as n individual parameters p1, p2, ... Note that |
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| 333 | this number is limited to sasmodels.modelinfo.MAX_PD. |
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| 334 | |
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| 335 | * *npars* is the total number of parameters to the kernel, with vector |
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| 336 | parameters counted as n individual parameters p1, p2, ... |
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| 337 | |
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| 338 | * *call_parameters* is the complete list of parameters to the kernel, |
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| 339 | including scale and background, with vector parameters recorded as |
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| 340 | individual parameters p1, p2, ... |
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| 341 | |
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| 342 | * *active_1d* is the set of names that may be polydisperse for 1d data |
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| 343 | |
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| 344 | * *active_2d* is the set of names that may be polydisperse for 2d data |
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| 345 | |
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| 346 | User parameters are the set of parameters visible to the user, including |
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| 347 | the scale and background parameters that the kernel does not see. User |
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| 348 | parameters don't use vector notation, and instead use p1, p2, ... |
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| 349 | |
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| 350 | * *control_parameters* is the |
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| 351 | |
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| 352 | """ |
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[69aa451] | 353 | # scale and background are implicit parameters |
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| 354 | COMMON = [Parameter(*p) for p in COMMON_PARAMETERS] |
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| 355 | |
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| 356 | def __init__(self, parameters): |
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[d19962c] | 357 | self.kernel_parameters = parameters |
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[60eab2a] | 358 | self._set_vector_lengths() |
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[d19962c] | 359 | self._make_call_parameter_list() |
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| 360 | self._categorize_parameters() |
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[60eab2a] | 361 | self._set_defaults() |
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[d19962c] | 362 | #self._name_table= dict((p.id, p) for p in parameters) |
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[60eab2a] | 363 | |
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| 364 | def _set_vector_lengths(self): |
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| 365 | # Sort out the length of the vector parameters such as thickness[n] |
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[d19962c] | 366 | for p in self.kernel_parameters: |
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[60eab2a] | 367 | if p.length_control: |
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[d19962c] | 368 | for ref in self.kernel_parameters: |
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| 369 | if ref.id == p.length_control: |
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| 370 | break |
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| 371 | else: |
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| 372 | raise ValueError("no reference variable %r for %s" |
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| 373 | % (p.length_control, p.name)) |
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| 374 | ref.is_control = True |
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[60eab2a] | 375 | low, high = ref.limits |
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| 376 | if int(low) != low or int(high) != high or low<0 or high>20: |
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[d19962c] | 377 | raise ValueError("expected limits on %s to be within [0, 20]" |
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| 378 | % ref.name) |
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[c499331] | 379 | p.length = high |
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[60eab2a] | 380 | |
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| 381 | def _set_defaults(self): |
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| 382 | # Construct default values, including vector defaults |
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| 383 | defaults = {} |
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[d19962c] | 384 | for p in self.call_parameters: |
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[60eab2a] | 385 | if p.length == 1: |
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| 386 | defaults[p.id] = p.default |
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| 387 | else: |
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[d19962c] | 388 | for k in range(1, p.length+1): |
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| 389 | defaults["%s%d"%(p.id, k)] = p.default |
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[60eab2a] | 390 | self.defaults = defaults |
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| 391 | |
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[d19962c] | 392 | def _make_call_parameter_list(self): |
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| 393 | full_list = self.COMMON[:] |
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| 394 | for p in self.kernel_parameters: |
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| 395 | if p.length == 1: |
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| 396 | full_list.append(p) |
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| 397 | else: |
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| 398 | for k in range(1, p.length+1): |
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| 399 | pk = Parameter(p.id+str(k), p.units, p.default, |
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| 400 | p.limits, p.type, p.description) |
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| 401 | pk.polydisperse = p.polydisperse |
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| 402 | pk.relative_pd = p.relative_pd |
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| 403 | full_list.append(pk) |
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| 404 | self.call_parameters = full_list |
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| 405 | |
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[69aa451] | 406 | def _categorize_parameters(self): |
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[d19962c] | 407 | # Set the kernel parameters. Assumes background and scale are the |
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| 408 | # first two parameters in the parameter list, but these are not sent |
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| 409 | # to the underlying kernel functions. |
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| 410 | self.iq_parameters = [p for p in self.kernel_parameters |
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| 411 | if p.type not in ('orientation', 'magnetic')] |
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| 412 | self.iqxy_parameters = [p for p in self.kernel_parameters |
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| 413 | if p.type != 'magnetic'] |
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| 414 | self.form_volume_parameters = [p for p in self.kernel_parameters |
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| 415 | if p.type == 'volume'] |
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| 416 | |
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| 417 | # Theta offset |
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| 418 | offset = 0 |
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| 419 | for p in self.kernel_parameters: |
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| 420 | if p.name == 'theta': |
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| 421 | self.theta_offset = offset |
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| 422 | break |
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| 423 | offset += p.length |
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| 424 | else: |
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| 425 | self.theta_offset = -1 |
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[69aa451] | 426 | |
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[d19962c] | 427 | # number of polydisperse parameters |
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| 428 | num_pd = sum(p.length for p in self.kernel_parameters if p.polydisperse) |
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| 429 | # Don't use more polydisperse parameters than are available in the model |
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| 430 | # Note: we can do polydispersity on arbitrary parameters, so it is not |
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| 431 | # clear that this is a good idea; it does however make the poly_details |
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| 432 | # code easier to write, so we will leave it in for now. |
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| 433 | self.max_pd = min(num_pd, MAX_PD) |
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[69aa451] | 434 | |
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[d19962c] | 435 | self.npars = sum(p.length for p in self.kernel_parameters) |
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[69aa451] | 436 | |
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[d19962c] | 437 | # true if has 2D parameters |
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| 438 | self.has_2d = any(p.type in ('orientation', 'magnetic') |
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| 439 | for p in self.kernel_parameters) |
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[69aa451] | 440 | |
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[d19962c] | 441 | self.pd_1d = set(p.name for p in self.call_parameters |
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| 442 | if p.polydisperse and p.type not in ('orientation', 'magnetic')) |
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| 443 | self.pd_2d = set(p.name for p in self.call_parameters |
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| 444 | if p.polydisperse and p.type != 'magnetic') |
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[69aa451] | 445 | |
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[fb5914f] | 446 | def user_parameters(self, pars={}, is2d=True): |
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[69aa451] | 447 | """ |
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[d19962c] | 448 | Return the list of parameters for the given data type. |
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| 449 | |
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| 450 | Vector parameters are expanded as in place. If multiple parameters |
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| 451 | share the same vector length, then the parameters will be interleaved |
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| 452 | in the result. The control parameters come first. For example, |
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| 453 | if the parameter table is ordered as:: |
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| 454 | |
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| 455 | sld_core |
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| 456 | sld_shell[num_shells] |
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| 457 | sld_solvent |
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| 458 | thickness[num_shells] |
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| 459 | num_shells |
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| 460 | |
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| 461 | and *pars[num_shells]=2* then the returned list will be:: |
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| 462 | |
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| 463 | num_shells |
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| 464 | scale |
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| 465 | background |
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| 466 | sld_core |
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| 467 | sld_shell1 |
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| 468 | thickness1 |
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| 469 | sld_shell2 |
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| 470 | thickness2 |
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| 471 | sld_solvent |
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| 472 | |
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| 473 | Note that shell/thickness pairs are grouped together in the result |
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| 474 | even though they were not grouped in the incoming table. The control |
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| 475 | parameter is always returned first since the GUI will want to set it |
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| 476 | early, and rerender the table when it is changed. |
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[69aa451] | 477 | """ |
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[d19962c] | 478 | control = [p for p in self.kernel_parameters if p.is_control] |
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| 479 | |
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| 480 | # Gather entries such as name[n] into groups of the same n |
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| 481 | dependent = dict((p.id, []) for p in control) |
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| 482 | for p in self.kernel_parameters: |
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| 483 | if p.length_control is not None: |
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| 484 | dependent[p.length_control].append(p) |
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| 485 | |
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| 486 | # Gather entries such as name[4] into groups of the same length |
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| 487 | fixed = {} |
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| 488 | for p in self.kernel_parameters: |
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| 489 | if p.length > 1 and p.length_control is None: |
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| 490 | fixed.setdefault(p.length, []).append(p) |
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| 491 | |
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| 492 | # Using the call_parameters table, we already have expanded forms |
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| 493 | # for each of the vector parameters; put them in a lookup table |
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| 494 | expanded_pars = dict((p.name, p) for p in self.call_parameters) |
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| 495 | |
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| 496 | # Gather the user parameters in order |
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| 497 | result = control + self.COMMON |
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| 498 | for p in self.kernel_parameters: |
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| 499 | if not is2d and p.type in ('orientation', 'magnetic'): |
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| 500 | pass |
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| 501 | elif p.is_control: |
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| 502 | pass # already added |
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| 503 | elif p.length_control is not None: |
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| 504 | table = dependent.get(p.length_control, []) |
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| 505 | if table: |
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| 506 | # look up length from incoming parameters |
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[fb5914f] | 507 | table_length = int(pars.get(p.length_control, p.length)) |
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[d19962c] | 508 | del dependent[p.length_control] # first entry seen |
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| 509 | for k in range(1, table_length+1): |
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| 510 | for entry in table: |
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| 511 | result.append(expanded_pars[entry.id+str(k)]) |
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| 512 | else: |
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| 513 | pass # already processed all entries |
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| 514 | elif p.length > 1: |
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| 515 | table = fixed.get(p.length, []) |
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| 516 | if table: |
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| 517 | table_length = p.length |
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| 518 | del fixed[p.length] |
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| 519 | for k in range(1, table_length+1): |
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| 520 | for entry in table: |
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| 521 | result.append(expanded_pars[entry.id+str(k)]) |
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| 522 | else: |
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| 523 | pass # already processed all entries |
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| 524 | else: |
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| 525 | result.append(p) |
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| 526 | |
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| 527 | return result |
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[69aa451] | 528 | |
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| 529 | |
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| 530 | |
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| 531 | def isstr(x): |
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| 532 | # TODO: 2-3 compatible tests for str, including unicode strings |
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| 533 | return isinstance(x, str) |
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| 534 | |
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[6d6508e] | 535 | def make_model_info(kernel_module): |
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| 536 | info = ModelInfo() |
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| 537 | #print("make parameter table", kernel_module.parameters) |
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| 538 | parameters = make_parameter_table(kernel_module.parameters) |
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| 539 | demo = make_demo_pars(parameters, getattr(kernel_module, 'demo', None)) |
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| 540 | filename = abspath(kernel_module.__file__) |
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| 541 | kernel_id = splitext(basename(filename))[0] |
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| 542 | name = getattr(kernel_module, 'name', None) |
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| 543 | if name is None: |
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| 544 | name = " ".join(w.capitalize() for w in kernel_id.split('_')) |
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| 545 | |
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| 546 | info.id = kernel_id # string used to load the kernel |
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| 547 | info.filename = abspath(kernel_module.__file__) |
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| 548 | info.name = name |
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| 549 | info.title = getattr(kernel_module, 'title', name+" model") |
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| 550 | info.description = getattr(kernel_module, 'description', 'no description') |
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| 551 | info.parameters = parameters |
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| 552 | info.demo = demo |
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| 553 | info.composition = None |
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| 554 | info.docs = kernel_module.__doc__ |
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| 555 | info.category = getattr(kernel_module, 'category', None) |
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| 556 | info.single = getattr(kernel_module, 'single', True) |
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| 557 | info.structure_factor = getattr(kernel_module, 'structure_factor', False) |
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| 558 | info.profile_axes = getattr(kernel_module, 'profile_axes', ['x','y']) |
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| 559 | info.variant_info = getattr(kernel_module, 'invariant_info', None) |
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| 560 | info.demo = getattr(kernel_module, 'demo', None) |
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| 561 | info.source = getattr(kernel_module, 'source', []) |
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| 562 | info.tests = getattr(kernel_module, 'tests', []) |
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| 563 | info.ER = getattr(kernel_module, 'ER', None) |
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| 564 | info.VR = getattr(kernel_module, 'VR', None) |
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| 565 | info.form_volume = getattr(kernel_module, 'form_volume', None) |
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| 566 | info.Iq = getattr(kernel_module, 'Iq', None) |
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| 567 | info.Iqxy = getattr(kernel_module, 'Iqxy', None) |
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| 568 | info.profile = getattr(kernel_module, 'profile', None) |
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| 569 | info.sesans = getattr(kernel_module, 'sesans', None) |
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| 570 | |
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| 571 | # Precalculate the monodisperse parameter details |
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| 572 | info.mono_details = mono_details(info) |
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| 573 | return info |
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| 574 | |
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| 575 | class ModelInfo(object): |
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| 576 | """ |
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| 577 | Interpret the model definition file, categorizing the parameters. |
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| 578 | |
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| 579 | The module can be loaded with a normal python import statement if you |
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| 580 | know which module you need, or with __import__('sasmodels.model.'+name) |
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| 581 | if the name is in a string. |
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| 582 | |
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| 583 | The *model_info* structure contains the following fields: |
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| 584 | |
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| 585 | * *id* is the id of the kernel |
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| 586 | * *name* is the display name of the kernel |
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| 587 | * *filename* is the full path to the module defining the file (if any) |
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| 588 | * *title* is a short description of the kernel |
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| 589 | * *description* is a long description of the kernel (this doesn't seem |
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| 590 | very useful since the Help button on the model page brings you directly |
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| 591 | to the documentation page) |
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| 592 | * *docs* is the docstring from the module. Use :func:`make_doc` to |
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| 593 | * *category* specifies the model location in the docs |
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| 594 | * *parameters* is the model parameter table |
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| 595 | * *single* is True if the model allows single precision |
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| 596 | * *structure_factor* is True if the model is useable in a product |
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| 597 | * *variant_info* contains the information required to select between |
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| 598 | model variants (e.g., the list of cases) or is None if there are no |
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| 599 | model variants |
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| 600 | * *par_type* categorizes the model parameters. See |
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| 601 | :func:`categorize_parameters` for details. |
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| 602 | * *demo* contains the *{parameter: value}* map used in compare (and maybe |
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| 603 | for the demo plot, if plots aren't set up to use the default values). |
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| 604 | If *demo* is not given in the file, then the default values will be used. |
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| 605 | * *tests* is a set of tests that must pass |
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| 606 | * *source* is the list of library files to include in the C model build |
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| 607 | * *Iq*, *Iqxy*, *form_volume*, *ER*, *VR* and *sesans* are python functions |
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| 608 | implementing the kernel for the module, or None if they are not |
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| 609 | defined in python |
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| 610 | * *composition* is None if the model is independent, otherwise it is a |
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| 611 | tuple with composition type ('product' or 'mixture') and a list of |
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| 612 | *model_info* blocks for the composition objects. This allows us to |
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| 613 | build complete product and mixture models from just the info. |
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| 614 | """ |
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| 615 | id = None |
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| 616 | filename = None |
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| 617 | name = None |
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| 618 | title = None |
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| 619 | description = None |
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| 620 | parameters = None |
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| 621 | demo = None |
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| 622 | composition = None |
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| 623 | docs = None |
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| 624 | category = None |
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| 625 | single = None |
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| 626 | structure_factor = None |
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| 627 | profile_axes = None |
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| 628 | variant_info = None |
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| 629 | demo = None |
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| 630 | source = None |
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| 631 | tests = None |
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| 632 | ER = None |
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| 633 | VR = None |
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| 634 | form_volume = None |
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| 635 | Iq = None |
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| 636 | Iqxy = None |
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| 637 | profile = None |
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| 638 | sesans = None |
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| 639 | mono_details = None |
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| 640 | |
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| 641 | def __init__(self): |
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| 642 | pass |
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| 643 | |
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| 644 | |
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