1 | """ |
---|
2 | Model Info and Parameter Tables |
---|
3 | =============================== |
---|
4 | |
---|
5 | Defines :class:`ModelInfo` and :class:`ParameterTable` and the routines for |
---|
6 | manipulating them. In particular, :func:`make_model_info` converts a kernel |
---|
7 | module into the model info block as seen by the rest of the sasmodels library. |
---|
8 | """ |
---|
9 | from __future__ import print_function |
---|
10 | |
---|
11 | from copy import copy |
---|
12 | from os.path import abspath, basename, splitext |
---|
13 | import inspect |
---|
14 | |
---|
15 | import numpy as np # type: ignore |
---|
16 | |
---|
17 | # Optional typing |
---|
18 | # pylint: disable=unused-import |
---|
19 | try: |
---|
20 | from typing import Tuple, List, Union, Dict, Optional, Any, Callable, Sequence, Set |
---|
21 | from types import ModuleType |
---|
22 | except ImportError: |
---|
23 | pass |
---|
24 | else: |
---|
25 | Limits = Tuple[float, float] |
---|
26 | #LimitsOrChoice = Union[Limits, Tuple[Sequence[str]]] |
---|
27 | ParameterDef = Tuple[str, str, float, Limits, str, str] |
---|
28 | ParameterSetUser = Dict[str, Union[float, List[float]]] |
---|
29 | ParameterSet = Dict[str, float] |
---|
30 | TestInput = Union[str, float, List[float], Tuple[float, float], List[Tuple[float, float]]] |
---|
31 | TestValue = Union[float, List[float]] |
---|
32 | TestCondition = Tuple[ParameterSetUser, TestInput, TestValue] |
---|
33 | # pylint: enable=unused-import |
---|
34 | |
---|
35 | # If MAX_PD changes, need to change the loop macros in kernel_iq.c |
---|
36 | MAX_PD = 5 #: Maximum number of simultaneously polydisperse parameters |
---|
37 | |
---|
38 | # assumptions about common parameters exist throughout the code, such as: |
---|
39 | # (1) kernel functions Iq, Iqxy, Iqac, Iqabc, form_volume, ... don't see them |
---|
40 | # (2) kernel drivers assume scale is par[0] and background is par[1] |
---|
41 | # (3) mixture models drop the background on components and replace the scale |
---|
42 | # with a scale that varies from [-inf, inf] |
---|
43 | # (4) product models drop the background and reassign scale |
---|
44 | # and maybe other places. |
---|
45 | # Note that scale and background cannot be coordinated parameters whose value |
---|
46 | # depends on the some polydisperse parameter with the current implementation |
---|
47 | DEFAULT_BACKGROUND = 1e-3 |
---|
48 | COMMON_PARAMETERS = [ |
---|
49 | ("scale", "", 1, (0.0, np.inf), "", "Source intensity"), |
---|
50 | ("background", "1/cm", DEFAULT_BACKGROUND, (-np.inf, np.inf), "", "Source background"), |
---|
51 | ] |
---|
52 | assert (len(COMMON_PARAMETERS) == 2 |
---|
53 | and COMMON_PARAMETERS[0][0] == "scale" |
---|
54 | and COMMON_PARAMETERS[1][0] == "background"), "don't change common parameters" |
---|
55 | |
---|
56 | |
---|
57 | def make_parameter_table(pars): |
---|
58 | # type: (List[ParameterDef]) -> ParameterTable |
---|
59 | """ |
---|
60 | Construct a parameter table from a list of parameter definitions. |
---|
61 | |
---|
62 | This is used by the module processor to convert the parameter block into |
---|
63 | the parameter table seen in the :class:`ModelInfo` for the module. |
---|
64 | """ |
---|
65 | processed = [] |
---|
66 | for p in pars: |
---|
67 | if not isinstance(p, (list, tuple)) or len(p) != 6: |
---|
68 | raise ValueError("Parameter should be [name, units, default, limits, type, desc], but got %r" |
---|
69 | %str(p)) |
---|
70 | processed.append(parse_parameter(*p)) |
---|
71 | partable = ParameterTable(processed) |
---|
72 | partable.check_angles() |
---|
73 | return partable |
---|
74 | |
---|
75 | def parse_parameter(name, units='', default=np.NaN, |
---|
76 | user_limits=None, ptype='', description=''): |
---|
77 | # type: (str, str, float, Sequence[Any], str, str) -> Parameter |
---|
78 | """ |
---|
79 | Parse an individual parameter from the parameter definition block. |
---|
80 | |
---|
81 | This does type and value checking on the definition, leading |
---|
82 | to early failure in the model loading process and easier debugging. |
---|
83 | """ |
---|
84 | # Parameter is a user facing class. Do robust type checking. |
---|
85 | if not isstr(name): |
---|
86 | raise ValueError("expected string for parameter name %r"%name) |
---|
87 | if not isstr(units): |
---|
88 | raise ValueError("expected units to be a string for %s"%name) |
---|
89 | |
---|
90 | # Process limits as [float, float] or [[str, str, ...]] |
---|
91 | choices = [] # type: List[str] |
---|
92 | if user_limits is None: |
---|
93 | limits = (-np.inf, np.inf) |
---|
94 | elif not isinstance(user_limits, (tuple, list)): |
---|
95 | raise ValueError("invalid limits for %s"%name) |
---|
96 | else: |
---|
97 | # if limits is [[str,...]], then this is a choice list field, |
---|
98 | # and limits are 1 to length of string list |
---|
99 | if isinstance(user_limits[0], (tuple, list)): |
---|
100 | choices = user_limits[0] |
---|
101 | limits = (0., len(choices)-1.) |
---|
102 | if not all(isstr(k) for k in choices): |
---|
103 | raise ValueError("choices must be strings for %s"%name) |
---|
104 | else: |
---|
105 | try: |
---|
106 | low, high = user_limits |
---|
107 | limits = (float(low), float(high)) |
---|
108 | except Exception: |
---|
109 | raise ValueError("invalid limits for %s: %r"%(name, user_limits)) |
---|
110 | if low >= high: |
---|
111 | raise ValueError("require lower limit < upper limit") |
---|
112 | |
---|
113 | # Process default value as float, making sure it is in range |
---|
114 | if not isinstance(default, (int, float)): |
---|
115 | raise ValueError("expected default %r to be a number for %s" |
---|
116 | % (default, name)) |
---|
117 | if default < limits[0] or default > limits[1]: |
---|
118 | raise ValueError("default value %r not in range for %s" |
---|
119 | % (default, name)) |
---|
120 | |
---|
121 | # Check for valid parameter type |
---|
122 | if ptype not in ("volume", "orientation", "sld", "magnetic", ""): |
---|
123 | raise ValueError("unexpected type %r for %s" % (ptype, name)) |
---|
124 | |
---|
125 | # Check for valid parameter description |
---|
126 | if not isstr(description): |
---|
127 | raise ValueError("expected description to be a string") |
---|
128 | |
---|
129 | # Parameter id for name[n] does not include [n] |
---|
130 | if "[" in name: |
---|
131 | if not name.endswith(']'): |
---|
132 | raise ValueError("Expected name[len] for vector parameter %s"%name) |
---|
133 | pid, ref = name[:-1].split('[', 1) |
---|
134 | ref = ref.strip() |
---|
135 | else: |
---|
136 | pid, ref = name, None |
---|
137 | |
---|
138 | # automatically identify sld types |
---|
139 | if ptype == '' and (pid.startswith('sld') or pid.endswith('sld')): |
---|
140 | ptype = 'sld' |
---|
141 | |
---|
142 | # Check if using a vector definition, name[k], as the parameter name |
---|
143 | if ref: |
---|
144 | if ref == '': |
---|
145 | raise ValueError("Need to specify vector length for %s"%name) |
---|
146 | try: |
---|
147 | length = int(ref) |
---|
148 | control = None |
---|
149 | except ValueError: |
---|
150 | length = None |
---|
151 | control = ref |
---|
152 | else: |
---|
153 | length = 1 |
---|
154 | control = None |
---|
155 | |
---|
156 | # Build the parameter |
---|
157 | parameter = Parameter(name=name, units=units, default=default, |
---|
158 | limits=limits, ptype=ptype, description=description) |
---|
159 | |
---|
160 | # TODO: need better control over whether a parameter is polydisperse |
---|
161 | parameter.polydisperse = ptype in ('orientation', 'volume') |
---|
162 | parameter.relative_pd = ptype == 'volume' |
---|
163 | parameter.choices = choices |
---|
164 | parameter.length = length |
---|
165 | parameter.length_control = control |
---|
166 | return parameter |
---|
167 | |
---|
168 | |
---|
169 | def expand_pars(partable, pars): |
---|
170 | # type: (ParameterTable, ParameterSetUser) -> ParameterSet |
---|
171 | """ |
---|
172 | Create demo parameter set from key-value pairs. |
---|
173 | |
---|
174 | *pars* are the key-value pairs to use for the parameters. Any |
---|
175 | parameters not specified in *pars* are set from the *partable* defaults. |
---|
176 | |
---|
177 | If *pars* references vector fields, such as thickness[n], then support |
---|
178 | different ways of assigning the demo values, including assigning a |
---|
179 | specific value (e.g., thickness3=50.0), assigning a new value to all |
---|
180 | (e.g., thickness=50.0) or assigning values using list notation. |
---|
181 | """ |
---|
182 | if pars is None: |
---|
183 | result = partable.defaults |
---|
184 | else: |
---|
185 | lookup = dict((p.id, p) for p in partable.kernel_parameters) |
---|
186 | result = partable.defaults.copy() |
---|
187 | scalars = dict((name, value) for name, value in pars.items() |
---|
188 | if name not in lookup or lookup[name].length == 1) |
---|
189 | vectors = dict((name, value) for name, value in pars.items() |
---|
190 | if name in lookup and lookup[name].length > 1) |
---|
191 | #print("lookup", lookup) |
---|
192 | #print("scalars", scalars) |
---|
193 | #print("vectors", vectors) |
---|
194 | if vectors: |
---|
195 | for name, value in vectors.items(): |
---|
196 | if np.isscalar(value): |
---|
197 | # support for the form |
---|
198 | # dict(thickness=0, thickness2=50) |
---|
199 | for k in range(1, lookup[name].length+1): |
---|
200 | key = name+str(k) |
---|
201 | if key not in scalars: |
---|
202 | scalars[key] = value |
---|
203 | else: |
---|
204 | # supoprt for the form |
---|
205 | # dict(thickness=[20,10,3]) |
---|
206 | for (k, v) in enumerate(value): |
---|
207 | scalars[name+str(k+1)] = v |
---|
208 | result.update(scalars) |
---|
209 | #print("expanded", result) |
---|
210 | |
---|
211 | return result |
---|
212 | |
---|
213 | def prefix_parameter(par, prefix): |
---|
214 | # type: (Parameter, str) -> Parameter |
---|
215 | """ |
---|
216 | Return a copy of the parameter with its name prefixed. |
---|
217 | """ |
---|
218 | new_par = copy(par) |
---|
219 | new_par.name = prefix + par.name |
---|
220 | new_par.id = prefix + par.id |
---|
221 | |
---|
222 | def suffix_parameter(par, suffix): |
---|
223 | # type: (Parameter, str) -> Parameter |
---|
224 | """ |
---|
225 | Return a copy of the parameter with its name prefixed. |
---|
226 | """ |
---|
227 | new_par = copy(par) |
---|
228 | # If name has the form x[n], replace with x_suffix[n] |
---|
229 | new_par.name = par.id + suffix + par.name[len(par.id):] |
---|
230 | new_par.id = par.id + suffix |
---|
231 | |
---|
232 | class Parameter(object): |
---|
233 | """ |
---|
234 | The available kernel parameters are defined as a list, with each parameter |
---|
235 | defined as a sublist with the following elements: |
---|
236 | |
---|
237 | *name* is the name that will be displayed to the user. Names |
---|
238 | should be lower case, with words separated by underscore. If |
---|
239 | acronyms are used, the whole acronym should be upper case. For vector |
---|
240 | parameters, the name will be followed by *[len]* where *len* is an |
---|
241 | integer length of the vector, or the name of the parameter which |
---|
242 | controls the length. The attribute *id* will be created from name |
---|
243 | without the length. |
---|
244 | |
---|
245 | *units* should be one of *degrees* for angles, *Ang* for lengths, |
---|
246 | *1e-6/Ang^2* for SLDs. |
---|
247 | |
---|
248 | *default value* will be the initial value for the model when it |
---|
249 | is selected, or when an initial value is not otherwise specified. |
---|
250 | |
---|
251 | *limits = [lb, ub]* are the hard limits on the parameter value, used to |
---|
252 | limit the polydispersity density function. In the fit, the parameter limits |
---|
253 | given to the fit are the limits on the central value of the parameter. |
---|
254 | If there is polydispersity, it will evaluate parameter values outside |
---|
255 | the fit limits, but not outside the hard limits specified in the model. |
---|
256 | If there are no limits, use +/-inf imported from numpy. |
---|
257 | |
---|
258 | *type* indicates how the parameter will be used. "volume" parameters |
---|
259 | will be used in all functions. "orientation" parameters are not passed, |
---|
260 | but will be used to convert from *qx*, *qy* to *qa*, *qb*, *qc* in calls to |
---|
261 | *Iqxy* and *Imagnetic*. If *type* is the empty string, the parameter will |
---|
262 | be used in all of *Iq*, *Iqxy* and *Imagnetic*. "sld" parameters |
---|
263 | can automatically be promoted to magnetic parameters, each of which |
---|
264 | will have a magnitude and a direction, which may be different from |
---|
265 | other sld parameters. The volume parameters are used for calls |
---|
266 | to form_volume within the kernel (required for volume normalization) |
---|
267 | and for calls to ER and VR for effective radius and volume ratio |
---|
268 | respectively. |
---|
269 | |
---|
270 | *description* is a short description of the parameter. This will |
---|
271 | be displayed in the parameter table and used as a tool tip for the |
---|
272 | parameter value in the user interface. |
---|
273 | |
---|
274 | Additional values can be set after the parameter is created: |
---|
275 | |
---|
276 | * *length* is the length of the field if it is a vector field |
---|
277 | |
---|
278 | * *length_control* is the parameter which sets the vector length |
---|
279 | |
---|
280 | * *is_control* is True if the parameter is a control parameter for a vector |
---|
281 | |
---|
282 | * *polydisperse* is true if the parameter accepts a polydispersity |
---|
283 | |
---|
284 | * *relative_pd* is true if that polydispersity is a portion of the |
---|
285 | value (so a 10% length dipsersity would use a polydispersity value |
---|
286 | of 0.1) rather than absolute dispersisity (such as an angle plus or |
---|
287 | minus 15 degrees). |
---|
288 | |
---|
289 | *choices* is the option names for a drop down list of options, as for |
---|
290 | example, might be used to set the value of a shape parameter. |
---|
291 | |
---|
292 | These values are set by :func:`make_parameter_table` and |
---|
293 | :func:`parse_parameter` therein. |
---|
294 | """ |
---|
295 | def __init__(self, name, units='', default=None, limits=(-np.inf, np.inf), |
---|
296 | ptype='', description=''): |
---|
297 | # type: (str, str, float, Limits, str, str) -> None |
---|
298 | self.id = name.split('[')[0].strip() # type: str |
---|
299 | self.name = name # type: str |
---|
300 | self.units = units # type: str |
---|
301 | self.default = default # type: float |
---|
302 | self.limits = limits # type: Limits |
---|
303 | self.type = ptype # type: str |
---|
304 | self.description = description # type: str |
---|
305 | |
---|
306 | # Length and length_control will be filled in once the complete |
---|
307 | # parameter table is available. |
---|
308 | self.length = 1 # type: int |
---|
309 | self.length_control = None # type: Optional[str] |
---|
310 | self.is_control = False # type: bool |
---|
311 | |
---|
312 | # TODO: need better control over whether a parameter is polydisperse |
---|
313 | self.polydisperse = False # type: bool |
---|
314 | self.relative_pd = False # type: bool |
---|
315 | |
---|
316 | # choices are also set externally. |
---|
317 | self.choices = [] # type: List[str] |
---|
318 | |
---|
319 | def as_definition(self): |
---|
320 | # type: () -> str |
---|
321 | """ |
---|
322 | Declare space for the variable in a parameter structure. |
---|
323 | |
---|
324 | For example, the parameter thickness with length 3 will |
---|
325 | return "double thickness[3];", with no spaces before and |
---|
326 | no new line character afterward. |
---|
327 | """ |
---|
328 | if self.length == 1: |
---|
329 | return "double %s;"%self.id |
---|
330 | else: |
---|
331 | return "double %s[%d];"%(self.id, self.length) |
---|
332 | |
---|
333 | def as_function_argument(self): |
---|
334 | # type: () -> str |
---|
335 | r""" |
---|
336 | Declare the variable as a function argument. |
---|
337 | |
---|
338 | For example, the parameter thickness with length 3 will |
---|
339 | return "double \*thickness", with no spaces before and |
---|
340 | no comma afterward. |
---|
341 | """ |
---|
342 | if self.length == 1: |
---|
343 | return "double %s"%self.id |
---|
344 | else: |
---|
345 | return "double *%s"%self.id |
---|
346 | |
---|
347 | def as_call_reference(self, prefix=""): |
---|
348 | # type: (str) -> str |
---|
349 | """ |
---|
350 | Return *prefix* + parameter name. For struct references, use "v." |
---|
351 | as the prefix. |
---|
352 | """ |
---|
353 | # Note: if the parameter is a struct type, then we will need to use |
---|
354 | # &prefix+id. For scalars and vectors we can just use prefix+id. |
---|
355 | return prefix + self.id |
---|
356 | |
---|
357 | def __str__(self): |
---|
358 | # type: () -> str |
---|
359 | return "<%s>"%self.name |
---|
360 | |
---|
361 | def __repr__(self): |
---|
362 | # type: () -> str |
---|
363 | return "P<%s>"%self.name |
---|
364 | |
---|
365 | |
---|
366 | class ParameterTable(object): |
---|
367 | """ |
---|
368 | ParameterTable manages the list of available parameters. |
---|
369 | |
---|
370 | There are a couple of complications which mean that the list of parameters |
---|
371 | for the kernel differs from the list of parameters that the user sees. |
---|
372 | |
---|
373 | (1) Common parameters. Scale and background are implicit to every model, |
---|
374 | but are not passed to the kernel. |
---|
375 | |
---|
376 | (2) Vector parameters. Vector parameters are passed to the kernel as a |
---|
377 | pointer to an array, e.g., thick[], but they are seen by the user as n |
---|
378 | separate parameters thick1, thick2, ... |
---|
379 | |
---|
380 | Therefore, the parameter table is organized by how it is expected to be |
---|
381 | used. The following information is needed to set up the kernel functions: |
---|
382 | |
---|
383 | * *kernel_parameters* is the list of parameters in the kernel parameter |
---|
384 | table, with vector parameter p declared as p[]. |
---|
385 | |
---|
386 | * *iq_parameters* is the list of parameters to the Iq(q, ...) function, |
---|
387 | with vector parameter p sent as p[]. |
---|
388 | |
---|
389 | * *form_volume_parameters* is the list of parameters to the form_volume(...) |
---|
390 | function, with vector parameter p sent as p[]. |
---|
391 | |
---|
392 | Problem details, which sets up the polydispersity loops, requires the |
---|
393 | following: |
---|
394 | |
---|
395 | * *theta_offset* is the offset of the theta parameter in the kernel parameter |
---|
396 | table, with vector parameters counted as n individual parameters |
---|
397 | p1, p2, ..., or offset is -1 if there is no theta parameter. |
---|
398 | |
---|
399 | * *max_pd* is the maximum number of polydisperse parameters, with vector |
---|
400 | parameters counted as n individual parameters p1, p2, ... Note that |
---|
401 | this number is limited to sasmodels.modelinfo.MAX_PD. |
---|
402 | |
---|
403 | * *npars* is the total number of parameters to the kernel, with vector |
---|
404 | parameters counted as n individual parameters p1, p2, ... |
---|
405 | |
---|
406 | * *call_parameters* is the complete list of parameters to the kernel, |
---|
407 | including scale and background, with vector parameters recorded as |
---|
408 | individual parameters p1, p2, ... |
---|
409 | |
---|
410 | * *active_1d* is the set of names that may be polydisperse for 1d data |
---|
411 | |
---|
412 | * *active_2d* is the set of names that may be polydisperse for 2d data |
---|
413 | |
---|
414 | User parameters are the set of parameters visible to the user, including |
---|
415 | the scale and background parameters that the kernel does not see. User |
---|
416 | parameters don't use vector notation, and instead use p1, p2, ... |
---|
417 | """ |
---|
418 | # scale and background are implicit parameters |
---|
419 | COMMON = [Parameter(*p) for p in COMMON_PARAMETERS] |
---|
420 | |
---|
421 | def __init__(self, parameters): |
---|
422 | # type: (List[Parameter]) -> None |
---|
423 | self.kernel_parameters = parameters |
---|
424 | self._set_vector_lengths() |
---|
425 | self.npars = sum(p.length for p in self.kernel_parameters) |
---|
426 | self.nmagnetic = sum(p.length for p in self.kernel_parameters |
---|
427 | if p.type == 'sld') |
---|
428 | self.nvalues = 2 + self.npars |
---|
429 | if self.nmagnetic: |
---|
430 | self.nvalues += 3 + 3*self.nmagnetic |
---|
431 | self.call_parameters = self._get_call_parameters() |
---|
432 | self.defaults = self._get_defaults() |
---|
433 | #self._name_table= dict((p.id, p) for p in parameters) |
---|
434 | |
---|
435 | # Set the kernel parameters. Assumes background and scale are the |
---|
436 | # first two parameters in the parameter list, but these are not sent |
---|
437 | # to the underlying kernel functions. |
---|
438 | self.iq_parameters = [p for p in self.kernel_parameters |
---|
439 | if p.type not in ('orientation', 'magnetic')] |
---|
440 | self.orientation_parameters = [p for p in self.kernel_parameters |
---|
441 | if p.type == 'orientation'] |
---|
442 | self.form_volume_parameters = [p for p in self.kernel_parameters |
---|
443 | if p.type == 'volume'] |
---|
444 | |
---|
445 | # Theta offset |
---|
446 | offset = 0 |
---|
447 | for p in self.kernel_parameters: |
---|
448 | if p.name == 'theta': |
---|
449 | self.theta_offset = offset |
---|
450 | break |
---|
451 | offset += p.length |
---|
452 | else: |
---|
453 | self.theta_offset = -1 |
---|
454 | |
---|
455 | # number of polydisperse parameters |
---|
456 | num_pd = sum(p.length for p in self.kernel_parameters if p.polydisperse) |
---|
457 | # Don't use more polydisperse parameters than are available in the model |
---|
458 | self.max_pd = min(num_pd, MAX_PD) |
---|
459 | |
---|
460 | # true if has 2D parameters |
---|
461 | self.has_2d = any(p.type in ('orientation', 'magnetic') |
---|
462 | for p in self.kernel_parameters) |
---|
463 | self.is_asymmetric = any(p.name == 'psi' for p in self.kernel_parameters) |
---|
464 | self.magnetism_index = [k for k, p in enumerate(self.call_parameters) |
---|
465 | if p.id.endswith('_M0')] |
---|
466 | |
---|
467 | self.pd_1d = set(p.name for p in self.call_parameters |
---|
468 | if p.polydisperse and p.type not in ('orientation', 'magnetic')) |
---|
469 | self.pd_2d = set(p.name for p in self.call_parameters if p.polydisperse) |
---|
470 | |
---|
471 | def check_angles(self): |
---|
472 | """ |
---|
473 | Check that orientation angles are theta, phi and possibly psi. |
---|
474 | """ |
---|
475 | theta = phi = psi = -1 |
---|
476 | for k, p in enumerate(self.kernel_parameters): |
---|
477 | if p.name == 'theta': |
---|
478 | theta = k |
---|
479 | if p.type != 'orientation': |
---|
480 | raise TypeError("theta must be an orientation parameter") |
---|
481 | elif p.name == 'phi': |
---|
482 | phi = k |
---|
483 | if p.type != 'orientation': |
---|
484 | raise TypeError("phi must be an orientation parameter") |
---|
485 | elif p.name == 'psi': |
---|
486 | psi = k |
---|
487 | if p.type != 'orientation': |
---|
488 | raise TypeError("psi must be an orientation parameter") |
---|
489 | elif p.type == 'orientation': |
---|
490 | raise TypeError("only theta, phi and psi can be orientation parameters") |
---|
491 | if theta >= 0 and phi >= 0: |
---|
492 | last_par = len(self.kernel_parameters) - 1 |
---|
493 | if phi != theta+1: |
---|
494 | raise TypeError("phi must follow theta") |
---|
495 | if psi >= 0 and psi != phi+1: |
---|
496 | raise TypeError("psi must follow phi") |
---|
497 | if (psi >= 0 and psi != last_par) or (psi < 0 and phi != last_par): |
---|
498 | raise TypeError("orientation parameters must appear at the " |
---|
499 | "end of the parameter table") |
---|
500 | elif theta >= 0 or phi >= 0 or psi >= 0: |
---|
501 | raise TypeError("oriented shapes must have both theta and phi and maybe psi") |
---|
502 | |
---|
503 | def __getitem__(self, key): |
---|
504 | # Find the parameter definition |
---|
505 | for par in self.call_parameters: |
---|
506 | if par.name == key: |
---|
507 | return par |
---|
508 | raise KeyError("unknown parameter %r"%key) |
---|
509 | |
---|
510 | def __contains__(self, key): |
---|
511 | for par in self.call_parameters: |
---|
512 | if par.name == key: |
---|
513 | return True |
---|
514 | return False |
---|
515 | |
---|
516 | def _set_vector_lengths(self): |
---|
517 | # type: () -> List[str] |
---|
518 | """ |
---|
519 | Walk the list of kernel parameters, setting the length field of the |
---|
520 | vector parameters from the upper limit of the reference parameter. |
---|
521 | |
---|
522 | This needs to be done once the entire parameter table is available |
---|
523 | since the reference may still be undefined when the parameter is |
---|
524 | initially created. |
---|
525 | |
---|
526 | Returns the list of control parameter names. |
---|
527 | |
---|
528 | Note: This modifies the underlying parameter object. |
---|
529 | """ |
---|
530 | # Sort out the length of the vector parameters such as thickness[n] |
---|
531 | for p in self.kernel_parameters: |
---|
532 | if p.length_control: |
---|
533 | ref = self._get_ref(p) |
---|
534 | ref.is_control = True |
---|
535 | ref.polydisperse = False |
---|
536 | low, high = ref.limits |
---|
537 | if int(low) != low or int(high) != high or low < 0 or high > 20: |
---|
538 | raise ValueError("expected limits on %s to be within [0, 20]" |
---|
539 | % ref.name) |
---|
540 | p.length = int(high) |
---|
541 | |
---|
542 | def _get_ref(self, p): |
---|
543 | # type: (Parameter) -> Parameter |
---|
544 | for ref in self.kernel_parameters: |
---|
545 | if ref.id == p.length_control: |
---|
546 | return ref |
---|
547 | raise ValueError("no reference variable %r for %s" |
---|
548 | % (p.length_control, p.name)) |
---|
549 | |
---|
550 | def _get_defaults(self): |
---|
551 | # type: () -> ParameterSet |
---|
552 | """ |
---|
553 | Get a list of parameter defaults from the parameters. |
---|
554 | |
---|
555 | Expands vector parameters into parameter id+number. |
---|
556 | """ |
---|
557 | # Construct default values, including vector defaults |
---|
558 | defaults = {} |
---|
559 | for p in self.call_parameters: |
---|
560 | if p.length == 1: |
---|
561 | defaults[p.id] = p.default |
---|
562 | else: |
---|
563 | for k in range(1, p.length+1): |
---|
564 | defaults["%s%d"%(p.id, k)] = p.default |
---|
565 | return defaults |
---|
566 | |
---|
567 | def _get_call_parameters(self): |
---|
568 | # type: () -> List[Parameter] |
---|
569 | full_list = self.COMMON[:] |
---|
570 | for p in self.kernel_parameters: |
---|
571 | if p.length == 1: |
---|
572 | full_list.append(p) |
---|
573 | else: |
---|
574 | for k in range(1, p.length+1): |
---|
575 | pk = Parameter(p.id+str(k), p.units, p.default, |
---|
576 | p.limits, p.type, p.description) |
---|
577 | pk.polydisperse = p.polydisperse |
---|
578 | pk.relative_pd = p.relative_pd |
---|
579 | pk.choices = p.choices |
---|
580 | full_list.append(pk) |
---|
581 | |
---|
582 | # Add the magnetic parameters to the end of the call parameter list. |
---|
583 | if self.nmagnetic > 0: |
---|
584 | full_list.extend([ |
---|
585 | Parameter('up_frac_i', '', 0., [0., 1.], |
---|
586 | 'magnetic', 'fraction of spin up incident'), |
---|
587 | Parameter('up_frac_f', '', 0., [0., 1.], |
---|
588 | 'magnetic', 'fraction of spin up final'), |
---|
589 | Parameter('up_angle', 'degrees', 0., [0., 360.], |
---|
590 | 'magnetic', 'spin up angle'), |
---|
591 | ]) |
---|
592 | slds = [p for p in full_list if p.type == 'sld'] |
---|
593 | for p in slds: |
---|
594 | full_list.extend([ |
---|
595 | Parameter(p.id+'_M0', '1e-6/Ang^2', 0., [-np.inf, np.inf], |
---|
596 | 'magnetic', 'magnetic amplitude for '+p.description), |
---|
597 | Parameter(p.id+'_mtheta', 'degrees', 0., [-90., 90.], |
---|
598 | 'magnetic', 'magnetic latitude for '+p.description), |
---|
599 | Parameter(p.id+'_mphi', 'degrees', 0., [-180., 180.], |
---|
600 | 'magnetic', 'magnetic longitude for '+p.description), |
---|
601 | ]) |
---|
602 | #print("call parameters", full_list) |
---|
603 | return full_list |
---|
604 | |
---|
605 | def user_parameters(self, pars, is2d=True): |
---|
606 | # type: (Dict[str, float], bool) -> List[Parameter] |
---|
607 | """ |
---|
608 | Return the list of parameters for the given data type. |
---|
609 | |
---|
610 | Vector parameters are expanded in place. If multiple parameters |
---|
611 | share the same vector length, then the parameters will be interleaved |
---|
612 | in the result. The control parameters come first. For example, |
---|
613 | if the parameter table is ordered as:: |
---|
614 | |
---|
615 | sld_core |
---|
616 | sld_shell[num_shells] |
---|
617 | sld_solvent |
---|
618 | thickness[num_shells] |
---|
619 | num_shells |
---|
620 | |
---|
621 | and *pars[num_shells]=2* then the returned list will be:: |
---|
622 | |
---|
623 | num_shells |
---|
624 | scale |
---|
625 | background |
---|
626 | sld_core |
---|
627 | sld_shell1 |
---|
628 | thickness1 |
---|
629 | sld_shell2 |
---|
630 | thickness2 |
---|
631 | sld_solvent |
---|
632 | |
---|
633 | Note that shell/thickness pairs are grouped together in the result |
---|
634 | even though they were not grouped in the incoming table. The control |
---|
635 | parameter is always returned first since the GUI will want to set it |
---|
636 | early, and rerender the table when it is changed. |
---|
637 | |
---|
638 | Parameters marked as sld will automatically have a set of associated |
---|
639 | magnetic parameters (p_M0, p_mtheta, p_mphi), as well as polarization |
---|
640 | information (up_theta, up_frac_i, up_frac_f). |
---|
641 | """ |
---|
642 | # control parameters go first |
---|
643 | control = [p for p in self.kernel_parameters if p.is_control] |
---|
644 | |
---|
645 | # Gather entries such as name[n] into groups of the same n |
---|
646 | dependent = {} # type: Dict[str, List[Parameter]] |
---|
647 | dependent.update((p.id, []) for p in control) |
---|
648 | for p in self.kernel_parameters: |
---|
649 | if p.length_control is not None: |
---|
650 | dependent[p.length_control].append(p) |
---|
651 | |
---|
652 | # Gather entries such as name[4] into groups of the same length |
---|
653 | fixed_length = {} # type: Dict[int, List[Parameter]] |
---|
654 | for p in self.kernel_parameters: |
---|
655 | if p.length > 1 and p.length_control is None: |
---|
656 | fixed_length.setdefault(p.length, []).append(p) |
---|
657 | |
---|
658 | # Using the call_parameters table, we already have expanded forms |
---|
659 | # for each of the vector parameters; put them in a lookup table |
---|
660 | # Note: p.id and p.name are currently identical for the call parameters |
---|
661 | expanded_pars = dict((p.id, p) for p in self.call_parameters) |
---|
662 | |
---|
663 | def append_group(name): |
---|
664 | """add the named parameter, and related magnetic parameters if any""" |
---|
665 | result.append(expanded_pars[name]) |
---|
666 | if is2d: |
---|
667 | for tag in '_M0', '_mtheta', '_mphi': |
---|
668 | if name+tag in expanded_pars: |
---|
669 | result.append(expanded_pars[name+tag]) |
---|
670 | |
---|
671 | # Gather the user parameters in order |
---|
672 | result = control + self.COMMON |
---|
673 | for p in self.kernel_parameters: |
---|
674 | if not is2d and p.type in ('orientation', 'magnetic'): |
---|
675 | pass |
---|
676 | elif p.is_control: |
---|
677 | pass # already added |
---|
678 | elif p.length_control is not None: |
---|
679 | table = dependent.get(p.length_control, []) |
---|
680 | if table: |
---|
681 | # look up length from incoming parameters |
---|
682 | table_length = int(pars.get(p.length_control, p.length)) |
---|
683 | del dependent[p.length_control] # first entry seen |
---|
684 | for k in range(1, table_length+1): |
---|
685 | for entry in table: |
---|
686 | append_group(entry.id+str(k)) |
---|
687 | else: |
---|
688 | pass # already processed all entries |
---|
689 | elif p.length > 1: |
---|
690 | table = fixed_length.get(p.length, []) |
---|
691 | if table: |
---|
692 | table_length = p.length |
---|
693 | del fixed_length[p.length] |
---|
694 | for k in range(1, table_length+1): |
---|
695 | for entry in table: |
---|
696 | append_group(entry.id+str(k)) |
---|
697 | else: |
---|
698 | pass # already processed all entries |
---|
699 | else: |
---|
700 | append_group(p.id) |
---|
701 | |
---|
702 | if is2d and 'up_angle' in expanded_pars: |
---|
703 | result.extend([ |
---|
704 | expanded_pars['up_frac_i'], |
---|
705 | expanded_pars['up_frac_f'], |
---|
706 | expanded_pars['up_angle'], |
---|
707 | ]) |
---|
708 | |
---|
709 | return result |
---|
710 | |
---|
711 | def isstr(x): |
---|
712 | # type: (Any) -> bool |
---|
713 | """ |
---|
714 | Return True if the object is a string. |
---|
715 | """ |
---|
716 | # TODO: 2-3 compatible tests for str, including unicode strings |
---|
717 | return isinstance(x, str) |
---|
718 | |
---|
719 | |
---|
720 | #: Set of variables defined in the model that might contain C code |
---|
721 | C_SYMBOLS = ['Imagnetic', 'Iq', 'Iqxy', 'Iqac', 'Iqabc', 'form_volume', 'shell_volume', 'c_code'] |
---|
722 | |
---|
723 | def _find_source_lines(model_info, kernel_module): |
---|
724 | # type: (ModelInfo, ModuleType) -> None |
---|
725 | """ |
---|
726 | Identify the location of the C source inside the model definition file. |
---|
727 | |
---|
728 | This code runs through the source of the kernel module looking for lines |
---|
729 | that contain C code (because it is a c function definition). Clearly |
---|
730 | there are all sorts of reasons why this might not work (e.g., code |
---|
731 | commented out in a triple-quoted line block, code built using string |
---|
732 | concatenation, code defined in the branch of an 'if' block, code imported |
---|
733 | from another file), but it should work properly in the 95% case, and for |
---|
734 | the remainder, getting the incorrect line number will merely be |
---|
735 | inconvenient. |
---|
736 | """ |
---|
737 | # Only need line numbers if we are creating a C module and the C symbols |
---|
738 | # are defined. |
---|
739 | if (callable(model_info.Iq) |
---|
740 | or not any(hasattr(model_info, s) for s in C_SYMBOLS)): |
---|
741 | return |
---|
742 | |
---|
743 | # load the module source if we can |
---|
744 | try: |
---|
745 | source = inspect.getsource(kernel_module) |
---|
746 | except IOError: |
---|
747 | return |
---|
748 | |
---|
749 | # look for symbol at the start of the line |
---|
750 | for lineno, line in enumerate(source.split('\n')): |
---|
751 | for name in C_SYMBOLS: |
---|
752 | if line.startswith(name): |
---|
753 | # Add 1 since some compilers complain about "#line 0" |
---|
754 | model_info.lineno[name] = lineno + 1 |
---|
755 | break |
---|
756 | |
---|
757 | def make_model_info(kernel_module): |
---|
758 | # type: (module) -> ModelInfo |
---|
759 | """ |
---|
760 | Extract the model definition from the loaded kernel module. |
---|
761 | |
---|
762 | Fill in default values for parts of the module that are not provided. |
---|
763 | |
---|
764 | Note: vectorized Iq and Iqac/Iqabc functions will be created for python |
---|
765 | models when the model is first called, not when the model is loaded. |
---|
766 | """ |
---|
767 | if hasattr(kernel_module, "model_info"): |
---|
768 | # Custom sum/multi models |
---|
769 | return kernel_module.model_info |
---|
770 | |
---|
771 | info = ModelInfo() |
---|
772 | #print("make parameter table", kernel_module.parameters) |
---|
773 | parameters = make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
774 | demo = expand_pars(parameters, getattr(kernel_module, 'demo', None)) |
---|
775 | filename = abspath(kernel_module.__file__).replace('.pyc', '.py') |
---|
776 | kernel_id = splitext(basename(filename))[0] |
---|
777 | name = getattr(kernel_module, 'name', None) |
---|
778 | if name is None: |
---|
779 | name = " ".join(w.capitalize() for w in kernel_id.split('_')) |
---|
780 | |
---|
781 | info.id = kernel_id # string used to load the kernel |
---|
782 | info.filename = filename |
---|
783 | info.name = name |
---|
784 | info.title = getattr(kernel_module, 'title', name+" model") |
---|
785 | info.description = getattr(kernel_module, 'description', 'no description') |
---|
786 | info.parameters = parameters |
---|
787 | info.demo = demo |
---|
788 | info.composition = None |
---|
789 | info.docs = kernel_module.__doc__ |
---|
790 | info.category = getattr(kernel_module, 'category', None) |
---|
791 | info.structure_factor = getattr(kernel_module, 'structure_factor', False) |
---|
792 | # TODO: find Fq by inspection |
---|
793 | info.effective_radius_type = getattr(kernel_module, 'effective_radius_type', None) |
---|
794 | info.have_Fq = getattr(kernel_module, 'have_Fq', False) |
---|
795 | info.profile_axes = getattr(kernel_module, 'profile_axes', ['x', 'y']) |
---|
796 | # Note: custom.load_custom_kernel_module assumes the C sources are defined |
---|
797 | # by this attribute. |
---|
798 | info.source = getattr(kernel_module, 'source', []) |
---|
799 | info.c_code = getattr(kernel_module, 'c_code', None) |
---|
800 | info.effective_radius = getattr(kernel_module, 'effective_radius', None) |
---|
801 | info.ER = None # CRUFT |
---|
802 | info.VR = None # CRUFT |
---|
803 | # TODO: check the structure of the tests |
---|
804 | info.tests = getattr(kernel_module, 'tests', []) |
---|
805 | info.form_volume = getattr(kernel_module, 'form_volume', None) # type: ignore |
---|
806 | info.shell_volume = getattr(kernel_module, 'shell_volume', None) # type: ignore |
---|
807 | info.Iq = getattr(kernel_module, 'Iq', None) # type: ignore |
---|
808 | info.Iqxy = getattr(kernel_module, 'Iqxy', None) # type: ignore |
---|
809 | info.Iqac = getattr(kernel_module, 'Iqac', None) # type: ignore |
---|
810 | info.Iqabc = getattr(kernel_module, 'Iqabc', None) # type: ignore |
---|
811 | info.Imagnetic = getattr(kernel_module, 'Imagnetic', None) # type: ignore |
---|
812 | info.profile = getattr(kernel_module, 'profile', None) # type: ignore |
---|
813 | info.sesans = getattr(kernel_module, 'sesans', None) # type: ignore |
---|
814 | # Default single and opencl to True for C models. Python models have callable Iq. |
---|
815 | info.opencl = getattr(kernel_module, 'opencl', not callable(info.Iq)) |
---|
816 | info.single = getattr(kernel_module, 'single', not callable(info.Iq)) |
---|
817 | info.random = getattr(kernel_module, 'random', None) |
---|
818 | |
---|
819 | # multiplicity info |
---|
820 | control_pars = [p.id for p in parameters.kernel_parameters if p.is_control] |
---|
821 | default_control = control_pars[0] if control_pars else None |
---|
822 | info.control = getattr(kernel_module, 'control', default_control) |
---|
823 | info.hidden = getattr(kernel_module, 'hidden', None) # type: ignore |
---|
824 | |
---|
825 | if callable(info.Iq) and parameters.has_2d: |
---|
826 | raise ValueError("oriented python models not supported") |
---|
827 | |
---|
828 | info.lineno = {} |
---|
829 | _find_source_lines(info, kernel_module) |
---|
830 | return info |
---|
831 | |
---|
832 | class ModelInfo(object): |
---|
833 | """ |
---|
834 | Interpret the model definition file, categorizing the parameters. |
---|
835 | |
---|
836 | The module can be loaded with a normal python import statement if you |
---|
837 | know which module you need, or with __import__('sasmodels.model.'+name) |
---|
838 | if the name is in a string. |
---|
839 | |
---|
840 | The structure should be mostly static, other than the delayed definition |
---|
841 | of *Iq*, *Iqac* and *Iqabc* if they need to be defined. |
---|
842 | """ |
---|
843 | #: Full path to the file defining the kernel, if any. |
---|
844 | filename = None # type: Optional[str] |
---|
845 | #: Id of the kernel used to load it from the filesystem. |
---|
846 | id = None # type: str |
---|
847 | #: Display name of the model, which defaults to the model id but with |
---|
848 | #: capitalization of the parts so for example core_shell defaults to |
---|
849 | #: "Core Shell". |
---|
850 | name = None # type: str |
---|
851 | #: Short description of the model. |
---|
852 | title = None # type: str |
---|
853 | #: Long description of the model. |
---|
854 | description = None # type: str |
---|
855 | #: Model parameter table. Parameters are defined using a list of parameter |
---|
856 | #: definitions, each of which is contains parameter name, units, |
---|
857 | #: default value, limits, type and description. See :class:`Parameter` |
---|
858 | #: for details on the individual parameters. The parameters are gathered |
---|
859 | #: into a :class:`ParameterTable`, which provides various views into the |
---|
860 | #: parameter list. |
---|
861 | parameters = None # type: ParameterTable |
---|
862 | #: Demo parameters as a *parameter:value* map used as the default values |
---|
863 | #: for :mod:`compare`. Any parameters not set in *demo* will use the |
---|
864 | #: defaults from the parameter table. That means no polydispersity, and |
---|
865 | #: in the case of multiplicity models, a minimal model with no interesting |
---|
866 | #: scattering. |
---|
867 | demo = None # type: Dict[str, float] |
---|
868 | #: Composition is None if this is an independent model, or it is a |
---|
869 | #: tuple with comoposition type ('product' or 'misture') and a list of |
---|
870 | #: :class:`ModelInfo` blocks for the composed objects. This allows us |
---|
871 | #: to rebuild a complete mixture or product model from the info block. |
---|
872 | #: *composition* is not given in the model definition file, but instead |
---|
873 | #: arises when the model is constructed using names such as |
---|
874 | #: *sphere*hardsphere* or *cylinder+sphere*. |
---|
875 | composition = None # type: Optional[Tuple[str, List[ModelInfo]]] |
---|
876 | #: Name of the control parameter for a variant model such as :ref:`rpa`. |
---|
877 | #: The *control* parameter should appear in the parameter table, with |
---|
878 | #: limits defined as *[CASES]*, for case names such as |
---|
879 | #: *CASES = ["diblock copolymer", "triblock copolymer", ...]*. |
---|
880 | #: This should give *limits=[[case1, case2, ...]]*, but the |
---|
881 | #: model loader translates this to *limits=[0, len(CASES)-1]*, and adds |
---|
882 | #: *choices=CASES* to the :class:`Parameter` definition. Note that |
---|
883 | #: models can use a list of cases as a parameter without it being a |
---|
884 | #: control parameter. Either way, the parameter is sent to the model |
---|
885 | #: evaluator as *float(choice_num)*, where choices are numbered from 0. |
---|
886 | #: See also :attr:`hidden`. |
---|
887 | control = None # type: str |
---|
888 | #: Different variants require different parameters. In order to show |
---|
889 | #: just the parameters needed for the variant selected by :attr:`control`, |
---|
890 | #: you should provide a function *hidden(control) -> set(['a', 'b', ...])* |
---|
891 | #: indicating which parameters need to be hidden. For multiplicity |
---|
892 | #: models, you need to use the complete name of the parameter, including |
---|
893 | #: its number. So for example, if variant "a" uses only *sld1* and *sld2*, |
---|
894 | #: then *sld3*, *sld4* and *sld5* of multiplicity parameter *sld[5]* |
---|
895 | #: should be in the hidden set. |
---|
896 | hidden = None # type: Optional[Callable[[int], Set[str]]] |
---|
897 | #: Doc string from the top of the model file. This should be formatted |
---|
898 | #: using ReStructuredText format, with latex markup in ".. math" |
---|
899 | #: environments, or in dollar signs. This will be automatically |
---|
900 | #: extracted to a .rst file by :func:`generate.make_docs`, then |
---|
901 | #: converted to HTML or PDF by Sphinx. |
---|
902 | docs = None # type: str |
---|
903 | #: Location of the model description in the documentation. This takes the |
---|
904 | #: form of "section" or "section:subsection". So for example, |
---|
905 | #: :ref:`porod` uses *category="shape-independent"* so it is in the |
---|
906 | #: :ref:`shape-independent` section whereas |
---|
907 | #: :ref:`capped-cylinder` uses: *category="shape:cylinder"*, which puts |
---|
908 | #: it in the :ref:`shape-cylinder` section. |
---|
909 | category = None # type: Optional[str] |
---|
910 | #: True if the model can be computed accurately with single precision. |
---|
911 | #: This is True by default, but models such as :ref:`bcc-paracrystal` set |
---|
912 | #: it to False because they require double precision calculations. |
---|
913 | single = None # type: bool |
---|
914 | #: True if the model can be run as an opencl model. If for some reason |
---|
915 | #: the model cannot be run in opencl (e.g., because the model passes |
---|
916 | #: functions by reference), then set this to false. |
---|
917 | opencl = None # type: bool |
---|
918 | #: True if the model is a structure factor used to model the interaction |
---|
919 | #: between form factor models. This will default to False if it is not |
---|
920 | #: provided in the file. |
---|
921 | structure_factor = None # type: bool |
---|
922 | #: True if the model defines an Fq function with signature |
---|
923 | #: void Fq(double q, double *F1, double *F2, ...) |
---|
924 | have_Fq = False |
---|
925 | #: List of options for computing the effective radius of the shape, |
---|
926 | #: or None if the model is not usable as a form factor model. |
---|
927 | effective_radius_type = None # type: List[str] |
---|
928 | #: List of C source files used to define the model. The source files |
---|
929 | #: should define the *Iq* function, and possibly *Iqac* or *Iqabc* if the |
---|
930 | #: model defines orientation parameters. Files containing the most basic |
---|
931 | #: functions must appear first in the list, followed by the files that |
---|
932 | #: use those functions. |
---|
933 | source = None # type: List[str] |
---|
934 | #: The set of tests that must pass. The format of the tests is described |
---|
935 | #: in :mod:`model_test`. |
---|
936 | tests = None # type: List[TestCondition] |
---|
937 | #: Returns the effective radius of the model given its volume parameters. |
---|
938 | #: The presence of *ER* indicates that the model is a form factor model |
---|
939 | #: that may be used together with a structure factor to form an implicit |
---|
940 | #: multiplication model. |
---|
941 | #: |
---|
942 | #: The parameters to the *ER* function must be marked with type *volume*. |
---|
943 | #: in the parameter table. They will appear in the same order as they |
---|
944 | #: do in the table. The values passed to *ER* will be vectors, with one |
---|
945 | #: value for each polydispersity condition. For example, if the model |
---|
946 | #: is polydisperse over both length and radius, then both length and |
---|
947 | #: radius will have the same number of values in the vector, with one |
---|
948 | #: value for each *length X radius*. If only *radius* is polydisperse, |
---|
949 | #: then the value for *length* will be repeated once for each value of |
---|
950 | #: *radius*. The *ER* function should return one effective radius for |
---|
951 | #: each parameter set. Multiplicity parameters will be received as |
---|
952 | #: arrays, with one row per polydispersity condition. |
---|
953 | c_code = None |
---|
954 | #: Returns the form volume for python-based models. Form volume is needed |
---|
955 | #: for volume normalization in the polydispersity integral. If no |
---|
956 | #: parameters are *volume* parameters, then form volume is not needed. |
---|
957 | #: For C-based models, (with :attr:`sources` defined, or with :attr:`Iq` |
---|
958 | #: defined using a string containing C code), form_volume must also be |
---|
959 | #: C code, either defined as a string, or in the sources. |
---|
960 | form_volume = None # type: Union[None, str, Callable[[np.ndarray], float]] |
---|
961 | #: Returns the shell volume for python-based models. Form volume and |
---|
962 | #: shell volume are needed for volume normalization in the polydispersity |
---|
963 | #: integral and structure interactions for hollow shapes. If no |
---|
964 | #: parameters are *volume* parameters, then shell volume is not needed. |
---|
965 | #: For C-based models, (with :attr:`sources` defined, or with :attr:`Iq` |
---|
966 | #: defined using a string containing C code), shell_volume must also be |
---|
967 | #: C code, either defined as a string, or in the sources. |
---|
968 | shell_volume = None # type: Union[None, str, Callable[[np.ndarray], float]] |
---|
969 | #: Returns *I(q, a, b, ...)* for parameters *a*, *b*, etc. defined |
---|
970 | #: by the parameter table. *Iq* can be defined as a python function, or |
---|
971 | #: as a C function. If it is defined in C, then set *Iq* to the body of |
---|
972 | #: the C function, including the return statement. This function takes |
---|
973 | #: values for *q* and each of the parameters as separate *double* values |
---|
974 | #: (which may be converted to float or long double by sasmodels). All |
---|
975 | #: source code files listed in :attr:`sources` will be loaded before the |
---|
976 | #: *Iq* function is defined. If *Iq* is not present, then sources should |
---|
977 | #: define *static double Iq(double q, double a, double b, ...)* which |
---|
978 | #: will return *I(q, a, b, ...)*. Multiplicity parameters are sent as |
---|
979 | #: pointers to doubles. Constants in floating point expressions should |
---|
980 | #: include the decimal point. See :mod:`generate` for more details. |
---|
981 | Iq = None # type: Union[None, str, Callable[[np.ndarray], np.ndarray]] |
---|
982 | #: Returns *I(qab, qc, a, b, ...)*. The interface follows :attr:`Iq`. |
---|
983 | Iqac = None # type: Union[None, str, Callable[[np.ndarray], np.ndarray]] |
---|
984 | #: Returns *I(qa, qb, qc, a, b, ...)*. The interface follows :attr:`Iq`. |
---|
985 | Iqabc = None # type: Union[None, str, Callable[[np.ndarray], np.ndarray]] |
---|
986 | #: Returns *I(qx, qy, a, b, ...)*. The interface follows :attr:`Iq`. |
---|
987 | Imagnetic = None # type: Union[None, str, Callable[[np.ndarray], np.ndarray]] |
---|
988 | #: Returns a model profile curve *x, y*. If *profile* is defined, this |
---|
989 | #: curve will appear in response to the *Show* button in SasView. Use |
---|
990 | #: :attr:`profile_axes` to set the axis labels. Note that *y* values |
---|
991 | #: will be scaled by 1e6 before plotting. |
---|
992 | profile = None # type: Optional[Callable[[np.ndarray], None]] |
---|
993 | #: Axis labels for the :attr:`profile` plot. The default is *['x', 'y']*. |
---|
994 | #: Only the *x* component is used for now. |
---|
995 | profile_axes = None # type: Tuple[str, str] |
---|
996 | #: Returns *sesans(z, a, b, ...)* for models which can directly compute |
---|
997 | #: the SESANS correlation function. Note: not currently implemented. |
---|
998 | sesans = None # type: Optional[Callable[[np.ndarray], np.ndarray]] |
---|
999 | #: Returns a random parameter set for the model |
---|
1000 | random = None # type: Optional[Callable[[], Dict[str, float]]] |
---|
1001 | #: Line numbers for symbols defining C code |
---|
1002 | lineno = None # type: Dict[str, int] |
---|
1003 | |
---|
1004 | def __init__(self): |
---|
1005 | # type: () -> None |
---|
1006 | pass |
---|
1007 | |
---|
1008 | def get_hidden_parameters(self, control): |
---|
1009 | """ |
---|
1010 | Returns the set of hidden parameters for the model. *control* is the |
---|
1011 | value of the control parameter. Note that multiplicity models have |
---|
1012 | an implicit control parameter, which is the parameter that controls |
---|
1013 | the multiplicity. |
---|
1014 | """ |
---|
1015 | if self.hidden is not None: |
---|
1016 | hidden = self.hidden(control) |
---|
1017 | else: |
---|
1018 | controls = [p for p in self.parameters.kernel_parameters |
---|
1019 | if p.is_control] |
---|
1020 | if len(controls) != 1: |
---|
1021 | raise ValueError("more than one control parameter") |
---|
1022 | hidden = set(p.id+str(k) |
---|
1023 | for p in self.parameters.kernel_parameters |
---|
1024 | for k in range(control+1, p.length+1) |
---|
1025 | if p.length > 1) |
---|
1026 | for p in self.parameters.kernel_parameters: |
---|
1027 | if p.length > 1 and p.type == "sld": |
---|
1028 | for k in range(control+1, p.length+1): |
---|
1029 | base = p.id+str(k) |
---|
1030 | hidden.update((base+"_M0", base+"_mtheta", base+"_mphi")) |
---|
1031 | return hidden |
---|