source: sasmodels/sasmodels/generate.py @ 6592f56

core_shell_microgelscostrafo411magnetic_modelrelease_v0.94release_v0.95ticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
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[5ceb7d0]1"""
2SAS model constructor.
3
4Small angle scattering models are defined by a set of kernel functions:
5
6    *Iq(q, p1, p2, ...)* returns the scattering at q for a form with
7    particular dimensions averaged over all orientations.
8
9    *Iqxy(qx, qy, p1, p2, ...)* returns the scattering at qx, qy for a form
10    with particular dimensions for a single orientation.
11
12    *Imagnetic(qx, qy, result[], p1, p2, ...)* returns the scattering for the
13    polarized neutron spin states (up-up, up-down, down-up, down-down) for
14    a form with particular dimensions for a single orientation.
15
16    *form_volume(p1, p2, ...)* returns the volume of the form with particular
[e6408d0]17    dimension, or 1.0 if no volume normalization is required.
[5ceb7d0]18
19    *ER(p1, p2, ...)* returns the effective radius of the form with
20    particular dimensions.
21
22    *VR(p1, p2, ...)* returns the volume ratio for core-shell style forms.
23
[d5ac45f]24    #define INVALID(v) (expr)  returns False if v.parameter is invalid
25    for some parameter or other (e.g., v.bell_radius < v.radius).  If
26    necessary, the expression can call a function.
27
[5ceb7d0]28These functions are defined in a kernel module .py script and an associated
29set of .c files.  The model constructor will use them to create models with
30polydispersity across volume and orientation parameters, and provide
31scale and background parameters for each model.
32
33*Iq*, *Iqxy*, *Imagnetic* and *form_volume* should be stylized C-99
34functions written for OpenCL.  All functions need prototype declarations
35even if the are defined before they are used.  OpenCL does not support
36*#include* preprocessor directives, so instead the list of includes needs
37to be given as part of the metadata in the kernel module definition.
38The included files should be listed using a path relative to the kernel
39module, or if using "lib/file.c" if it is one of the standard includes
40provided with the sasmodels source.  The includes need to be listed in
41order so that functions are defined before they are used.
42
43Floating point values should be declared as *double*.  For single precision
44calculations, *double* will be replaced by *float*.  The single precision
45conversion will also tag floating point constants with "f" to make them
46single precision constants.  When using integral values in floating point
47expressions, they should be expressed as floating point values by including
48a decimal point.  This includes 0., 1. and 2.
49
50OpenCL has a *sincos* function which can improve performance when both
51the *sin* and *cos* values are needed for a particular argument.  Since
52this function does not exist in C99, all use of *sincos* should be
53replaced by the macro *SINCOS(value, sn, cn)* where *sn* and *cn* are
54previously declared *double* variables.  When compiled for systems without
55OpenCL, *SINCOS* will be replaced by *sin* and *cos* calls.   If *value* is
56an expression, it will appear twice in this case; whether or not it will be
57evaluated twice depends on the quality of the compiler.
58
59If the input parameters are invalid, the scattering calculator should
60return a negative number. Particularly with polydispersity, there are
61some sets of shape parameters which lead to nonsensical forms, such
62as a capped cylinder where the cap radius is smaller than the
63cylinder radius.  The polydispersity calculation will ignore these points,
64effectively chopping the parameter weight distributions at the boundary
65of the infeasible region.  The resulting scattering will be set to
66background.  This will work correctly even when polydispersity is off.
67
68*ER* and *VR* are python functions which operate on parameter vectors.
69The constructor code will generate the necessary vectors for computing
70them with the desired polydispersity.
71The kernel module must set variables defining the kernel meta data:
72
73    *id* is an implicit variable formed from the filename.  It will be
74    a valid python identifier, and will be used as the reference into
75    the html documentation, with '_' replaced by '-'.
76
77    *name* is the model name as displayed to the user.  If it is missing,
78    it will be constructed from the id.
79
80    *title* is a short description of the model, suitable for a tool tip,
81    or a one line model summary in a table of models.
82
83    *description* is an extended description of the model to be displayed
84    while the model parameters are being edited.
85
86    *parameters* is the list of parameters.  Parameters in the kernel
87    functions must appear in the same order as they appear in the
88    parameters list.  Two additional parameters, *scale* and *background*
89    are added to the beginning of the parameter list.  They will show up
90    in the documentation as model parameters, but they are never sent to
[17bbadd]91    the kernel functions.  Note that *effect_radius* and *volfraction*
92    must occur first in structure factor calculations.
[5ceb7d0]93
[17bbadd]94    *category* is the default category for the model.  The category is
95    two level structure, with the form "group:section", indicating where
96    in the manual the model will be located.  Models are alphabetical
97    within their section.
[5ceb7d0]98
99    *source* is the list of C-99 source files that must be joined to
100    create the OpenCL kernel functions.  The files defining the functions
101    need to be listed before the files which use the functions.
102
103    *ER* is a python function defining the effective radius.  If it is
104    not present, the effective radius is 0.
105
106    *VR* is a python function defining the volume ratio.  If it is not
107    present, the volume ratio is 1.
108
109    *form_volume*, *Iq*, *Iqxy*, *Imagnetic* are strings containing the
110    C source code for the body of the volume, Iq, and Iqxy functions
111    respectively.  These can also be defined in the last source file.
112
113    *Iq* and *Iqxy* also be instead be python functions defining the
114    kernel.  If they are marked as *Iq.vectorized = True* then the
115    kernel is passed the entire *q* vector at once, otherwise it is
116    passed values one *q* at a time.  The performance improvement of
117    this step is significant.
118
119    *demo* is a dictionary of parameter=value defining a set of
120    parameters to use by default when *compare* is called.  Any
121    parameter not set in *demo* gets the initial value from the
122    parameter list.  *demo* is mostly needed to set the default
123    polydispersity values for tests.
124
[a5b8477]125A :class:`modelinfo.ModelInfo` structure is constructed from the kernel meta
126data and returned to the caller.
[5ceb7d0]127
128The doc string at the start of the kernel module will be used to
129construct the model documentation web pages.  Embedded figures should
130appear in the subdirectory "img" beside the model definition, and tagged
131with the kernel module name to avoid collision with other models.  Some
132file systems are case-sensitive, so only use lower case characters for
133file names and extensions.
134
135Code follows the C99 standard with the following extensions and conditions::
136
137    M_PI_180 = pi/180
138    M_4PI_3 = 4pi/3
139    square(x) = x*x
140    cube(x) = x*x*x
141    sinc(x) = sin(x)/x, with sin(0)/0 -> 1
142    all double precision constants must include the decimal point
143    all double declarations may be converted to half, float, or long double
144    FLOAT_SIZE is the number of bytes in the converted variables
[a5b8477]145
146:func:`load_kernel_module` loads the model definition file and
[785cbec]147:func:`modelinfo.make_model_info` parses it. :func:`make_source`
[a5b8477]148converts C-based model definitions to C source code, including the
149polydispersity integral.  :func:`model_sources` returns the list of
150source files the model depends on, and :func:`timestamp` returns
151the latest time stamp amongst the source files (so you can check if
152the model needs to be rebuilt).
153
154The function :func:`make_doc` extracts the doc string and adds the
155parameter table to the top.  *make_figure* in *sasmodels/doc/genmodel*
156creates the default figure for the model.  [These two sets of code
157should mignrate into docs.py so docs can be updated in one place].
[5ceb7d0]158"""
159from __future__ import print_function
160
[7891a2a]161# TODO: determine which functions are useful outside of generate
[69aa451]162#__all__ = ["model_info", "make_doc", "make_source", "convert_type"]
[5ceb7d0]163
164import sys
[7891a2a]165from os.path import abspath, dirname, join as joinpath, exists, isdir, getmtime
[5ceb7d0]166import re
167import string
168
[7ae2b7f]169import numpy as np  # type: ignore
[5ceb7d0]170
[6d6508e]171from .modelinfo import Parameter
[68e7f9d]172from .custom import load_custom_kernel_module
[fcd7bbd]173
[f619de7]174try:
[f2f67a6]175    from typing import Tuple, Sequence, Iterator, Dict
[f619de7]176    from .modelinfo import ModelInfo
177except ImportError:
178    pass
179
[a5da1f2]180def get_data_path(external_dir, target_file):
181    path = abspath(dirname(__file__))
182    if exists(joinpath(path, target_file)):
183        return path
184
185    # check next to exe/zip file
186    exepath = dirname(sys.executable)
187    path = joinpath(exepath, external_dir)
188    if exists(joinpath(path, target_file)):
189        return path
190
191    # check in py2app Contents/Resources
192    path = joinpath(exepath, '..', 'Resources', external_dir)
193    if exists(joinpath(path, target_file)):
194        return abspath(path)
195
196    raise RuntimeError('Could not find '+joinpath(external_dir, target_file))
197
198EXTERNAL_DIR = 'sasmodels-data'
199DATA_PATH = get_data_path(EXTERNAL_DIR, 'kernel_template.c')
[c2c51a2]200MODEL_PATH = joinpath(DATA_PATH, 'models')
[5ceb7d0]201
202F16 = np.dtype('float16')
203F32 = np.dtype('float32')
204F64 = np.dtype('float64')
205try:  # CRUFT: older numpy does not support float128
206    F128 = np.dtype('float128')
207except TypeError:
208    F128 = None
209
210# Conversion from units defined in the parameter table for each model
211# to units displayed in the sphinx documentation.
212RST_UNITS = {
213    "Ang": "|Ang|",
214    "1/Ang": "|Ang^-1|",
215    "1/Ang^2": "|Ang^-2|",
216    "1e-6/Ang^2": "|1e-6Ang^-2|",
217    "degrees": "degree",
218    "1/cm": "|cm^-1|",
219    "Ang/cm": "|Ang*cm^-1|",
[52ec91e]220    "g/cm^3": "|g/cm^3|",
221    "mg/m^2": "|mg/m^2|",
[5ceb7d0]222    "": "None",
223    }
224
225# Headers for the parameters tables in th sphinx documentation
226PARTABLE_HEADERS = [
227    "Parameter",
228    "Description",
229    "Units",
230    "Default value",
231    ]
232
233# Minimum width for a default value (this is shorter than the column header
234# width, so will be ignored).
235PARTABLE_VALUE_WIDTH = 10
236
237# Documentation header for the module, giving the model name, its short
238# description and its parameter table.  The remainder of the doc comes
239# from the module docstring.
240DOC_HEADER = """.. _%(id)s:
241
242%(name)s
243=======================================================
244
245%(title)s
246
247%(parameters)s
248
249%(returns)s
250
251%(docs)s
252"""
253
[7891a2a]254
[5ceb7d0]255def format_units(units):
[f619de7]256    # type: (str) -> str
[5ceb7d0]257    """
258    Convert units into ReStructured Text format.
259    """
260    return "string" if isinstance(units, list) else RST_UNITS.get(units, units)
261
[7891a2a]262
[5ceb7d0]263def make_partable(pars):
[f619de7]264    # type: (List[Parameter]) -> str
[5ceb7d0]265    """
266    Generate the parameter table to include in the sphinx documentation.
267    """
268    column_widths = [
[fcd7bbd]269        max(len(p.name) for p in pars),
270        max(len(p.description) for p in pars),
271        max(len(format_units(p.units)) for p in pars),
[5ceb7d0]272        PARTABLE_VALUE_WIDTH,
273        ]
274    column_widths = [max(w, len(h))
275                     for w, h in zip(column_widths, PARTABLE_HEADERS)]
276
277    sep = " ".join("="*w for w in column_widths)
278    lines = [
279        sep,
280        " ".join("%-*s" % (w, h)
281                 for w, h in zip(column_widths, PARTABLE_HEADERS)),
282        sep,
283        ]
284    for p in pars:
285        lines.append(" ".join([
[fcd7bbd]286            "%-*s" % (column_widths[0], p.name),
287            "%-*s" % (column_widths[1], p.description),
288            "%-*s" % (column_widths[2], format_units(p.units)),
289            "%*g" % (column_widths[3], p.default),
[5ceb7d0]290            ]))
291    lines.append(sep)
292    return "\n".join(lines)
293
[7891a2a]294
[5ceb7d0]295def _search(search_path, filename):
[f619de7]296    # type: (List[str], str) -> str
[5ceb7d0]297    """
298    Find *filename* in *search_path*.
299
300    Raises ValueError if file does not exist.
301    """
302    for path in search_path:
303        target = joinpath(path, filename)
304        if exists(target):
305            return target
306    raise ValueError("%r not found in %s" % (filename, search_path))
307
[d5ac45f]308
[17bbadd]309def model_sources(model_info):
[f619de7]310    # type: (ModelInfo) -> List[str]
[5ceb7d0]311    """
312    Return a list of the sources file paths for the module.
313    """
[7891a2a]314    search_path = [dirname(model_info.filename), MODEL_PATH]
[6d6508e]315    return [_search(search_path, f) for f in model_info.source]
[5ceb7d0]316
317
[0dc34c3]318def dll_timestamp(model_info):
[f619de7]319    # type: (ModelInfo) -> int
[69aa451]320    """
321    Return a timestamp for the model corresponding to the most recently
322    changed file or dependency.
323    """
[0dc34c3]324    # TODO: fails DRY; templates appear two places.
325    model_templates = [joinpath(DATA_PATH, filename)
326                       for filename in ('kernel_header.c', 'kernel_iq.c')]
[69aa451]327    source_files = (model_sources(model_info)
[0dc34c3]328                    + model_templates
[6d6508e]329                    + [model_info.filename])
[0dc34c3]330    # Note: file may not exist when it is a standard model from library.zip
331    times = [getmtime(f) for f in source_files if exists(f)]
332    newest = max(times) if times else 0
[69aa451]333    return newest
334
[0dc34c3]335def ocl_timestamp(model_info):
336    # type: (ModelInfo) -> int
337    """
338    Return a timestamp for the model corresponding to the most recently
339    changed file or dependency.
[7891a2a]340
[0dc34c3]341    Note that this does not look at the time stamps for the OpenCL header
342    information since that need not trigger a recompile of the DLL.
343    """
[f2f67a6]344    # TODO: fails DRY; templates appear two places.
[0dc34c3]345    model_templates = [joinpath(DATA_PATH, filename)
346                       for filename in ('kernel_header.c', 'kernel_iq.cl')]
347    source_files = (model_sources(model_info)
348                    + model_templates
349                    + [model_info.filename])
350    # Note: file may not exist when it is a standard model from library.zip
351    times = [getmtime(f) for f in source_files if exists(f)]
352    newest = max(times) if times else 0
353    return newest
[f2f67a6]354
[5ceb7d0]355
356def convert_type(source, dtype):
[f619de7]357    # type: (str, np.dtype) -> str
[5ceb7d0]358    """
359    Convert code from double precision to the desired type.
360
361    Floating point constants are tagged with 'f' for single precision or 'L'
362    for long double precision.
363    """
364    if dtype == F16:
365        fbytes = 2
[1e2a1ba]366        source = _convert_type(source, "half", "f")
[5ceb7d0]367    elif dtype == F32:
368        fbytes = 4
369        source = _convert_type(source, "float", "f")
370    elif dtype == F64:
371        fbytes = 8
[d5ac45f]372        # no need to convert if it is already double
[5ceb7d0]373    elif dtype == F128:
374        fbytes = 16
375        source = _convert_type(source, "long double", "L")
376    else:
[7891a2a]377        raise ValueError("Unexpected dtype in source conversion: %s" % dtype)
378    return ("#define FLOAT_SIZE %d\n" % fbytes)+source
[5ceb7d0]379
380
381def _convert_type(source, type_name, constant_flag):
[f619de7]382    # type: (str, str, str) -> str
[5ceb7d0]383    """
384    Replace 'double' with *type_name* in *source*, tagging floating point
385    constants with *constant_flag*.
386    """
387    # Convert double keyword to float/long double/half.
388    # Accept an 'n' # parameter for vector # values, where n is 2, 4, 8 or 16.
389    # Assume complex numbers are represented as cdouble which is typedef'd
390    # to double2.
391    source = re.sub(r'(^|[^a-zA-Z0-9_]c?)double(([248]|16)?($|[^a-zA-Z0-9_]))',
392                    r'\1%s\2'%type_name, source)
393    # Convert floating point constants to single by adding 'f' to the end,
394    # or long double with an 'L' suffix.  OS/X complains if you don't do this.
395    source = re.sub(r'[^a-zA-Z_](\d*[.]\d+|\d+[.]\d*)([eE][+-]?\d+)?',
396                    r'\g<0>%s'%constant_flag, source)
397    return source
398
399
[32e3c9b]400def kernel_name(model_info, variant):
401    # type: (ModelInfo, str) -> str
[5ceb7d0]402    """
403    Name of the exported kernel symbol.
[32e3c9b]404
405    *variant* is "Iq", "Iqxy" or "Imagnetic".
[5ceb7d0]406    """
[32e3c9b]407    return model_info.name + "_" + variant
[5ceb7d0]408
409
410def indent(s, depth):
[f619de7]411    # type: (str, int) -> str
[5ceb7d0]412    """
413    Indent a string of text with *depth* additional spaces on each line.
414    """
415    spaces = " "*depth
416    sep = "\n" + spaces
417    return spaces + sep.join(s.split("\n"))
418
419
[f619de7]420_template_cache = {}  # type: Dict[str, Tuple[int, str, str]]
[d5ac45f]421def load_template(filename):
[f619de7]422    # type: (str) -> str
[7891a2a]423    path = joinpath(DATA_PATH, filename)
[d5ac45f]424    mtime = getmtime(path)
425    if filename not in _template_cache or mtime > _template_cache[filename][0]:
426        with open(path) as fid:
[303d8d6]427            _template_cache[filename] = (mtime, fid.read(), path)
[da63656]428    return _template_cache[filename][1], path
[d5ac45f]429
[303d8d6]430
[03cac08]431_FN_TEMPLATE = """\
432double %(name)s(%(pars)s);
433double %(name)s(%(pars)s) {
[da63656]434#line %(line)d "%(filename)s"
[03cac08]435    %(body)s
436}
437
438"""
[da63656]439def _gen_fn(name, pars, body, filename, line):
440    # type: (str, List[Parameter], str, str, int) -> str
[5ceb7d0]441    """
[d5ac45f]442    Generate a function given pars and body.
443
444    Returns the following string::
[5ceb7d0]445
[d5ac45f]446         double fn(double a, double b, ...);
447         double fn(double a, double b, ...) {
448             ....
449         }
[5ceb7d0]450    """
[60eab2a]451    par_decl = ', '.join(p.as_function_argument() for p in pars) if pars else 'void'
[da63656]452    return _FN_TEMPLATE % {
453        'name': name, 'pars': par_decl, 'body': body,
454        'filename': filename.replace('\\', '\\\\'), 'line': line,
455    }
[d5ac45f]456
[17bbadd]457
[03cac08]458def _call_pars(prefix, pars):
[f619de7]459    # type: (str, List[Parameter]) -> List[str]
[03cac08]460    """
461    Return a list of *prefix.parameter* from parameter items.
462    """
[69aa451]463    return [p.as_call_reference(prefix) for p in pars]
[d5ac45f]464
[17bbadd]465
[a738209]466# type in IQXY pattern could be single, float, double, long double, ...
467_IQXY_PATTERN = re.compile("^((inline|static) )? *([a-z ]+ )? *Iqxy *([(]|$)",
[03cac08]468                           flags=re.MULTILINE)
469def _have_Iqxy(sources):
[f619de7]470    # type: (List[str]) -> bool
[03cac08]471    """
472    Return true if any file defines Iqxy.
[d5ac45f]473
[03cac08]474    Note this is not a C parser, and so can be easily confused by
475    non-standard syntax.  Also, it will incorrectly identify the following
476    as having Iqxy::
477
478        /*
479        double Iqxy(qx, qy, ...) { ... fill this in later ... }
480        */
481
482    If you want to comment out an Iqxy function, use // on the front of the
483    line instead.
484    """
[a738209]485    for path, code in sources:
[03cac08]486        if _IQXY_PATTERN.search(code):
487            return True
488    else:
489        return False
[d5ac45f]490
[17bbadd]491
[da63656]492def _add_source(source, code, path):
493    """
494    Add a file to the list of source code chunks, tagged with path and line.
495    """
[7891a2a]496    path = path.replace('\\', '\\\\')
497    source.append('#line 1 "%s"' % path)
[da63656]498    source.append(code)
[5ceb7d0]499
[17bbadd]500def make_source(model_info):
[a4280bd]501    # type: (ModelInfo) -> Dict[str, str]
[5ceb7d0]502    """
[17bbadd]503    Generate the OpenCL/ctypes kernel from the module info.
504
[f619de7]505    Uses source files found in the given search path.  Returns None if this
506    is a pure python model, with no C source components.
[5ceb7d0]507    """
[6d6508e]508    if callable(model_info.Iq):
[739aad4]509        raise ValueError("can't compile python model")
510        #return None
[17bbadd]511
[5ceb7d0]512    # TODO: need something other than volume to indicate dispersion parameters
513    # No volume normalization despite having a volume parameter.
514    # Thickness is labelled a volume in order to trigger polydispersity.
515    # May want a separate dispersion flag, or perhaps a separate category for
516    # disperse, but not volume.  Volume parameters also use relative values
517    # for the distribution rather than the absolute values used by angular
518    # dispersion.  Need to be careful that necessary parameters are available
519    # for computing volume even if we allow non-disperse volume parameters.
520
[6d6508e]521    partable = model_info.parameters
[5ceb7d0]522
[03cac08]523    # Load templates and user code
524    kernel_header = load_template('kernel_header.c')
[f2f67a6]525    dll_code = load_template('kernel_iq.c')
526    ocl_code = load_template('kernel_iq.cl')
[ae2b6b5]527    #ocl_code = load_template('kernel_iq_local.cl')
[da63656]528    user_code = [(f, open(f).read()) for f in model_sources(model_info)]
[5ceb7d0]529
[03cac08]530    # Build initial sources
[da63656]531    source = []
532    _add_source(source, *kernel_header)
533    for path, code in user_code:
534        _add_source(source, code, path)
[5ceb7d0]535
[69aa451]536    # Make parameters for q, qx, qy so that we can use them in declarations
537    q, qx, qy = [Parameter(name=v) for v in ('q', 'qx', 'qy')]
[d5ac45f]538    # Generate form_volume function, etc. from body only
[f619de7]539    if isinstance(model_info.form_volume, str):
[d19962c]540        pars = partable.form_volume_parameters
[da63656]541        source.append(_gen_fn('form_volume', pars, model_info.form_volume,
542                              model_info.filename, model_info._form_volume_line))
[f619de7]543    if isinstance(model_info.Iq, str):
[d19962c]544        pars = [q] + partable.iq_parameters
[da63656]545        source.append(_gen_fn('Iq', pars, model_info.Iq,
546                              model_info.filename, model_info._Iq_line))
[f619de7]547    if isinstance(model_info.Iqxy, str):
[d19962c]548        pars = [qx, qy] + partable.iqxy_parameters
[da63656]549        source.append(_gen_fn('Iqxy', pars, model_info.Iqxy,
550                              model_info.filename, model_info._Iqxy_line))
[d5ac45f]551
[03cac08]552    # Define the parameter table
[b966a96]553    # TODO: plug in current line number
554    source.append('#line 542 "sasmodels/generate.py"')
[03cac08]555    source.append("#define PARAMETER_TABLE \\")
[69aa451]556    source.append("\\\n".join(p.as_definition()
[d19962c]557                              for p in partable.kernel_parameters))
[03cac08]558
559    # Define the function calls
[d19962c]560    if partable.form_volume_parameters:
[d2bb604]561        refs = _call_pars("_v.", partable.form_volume_parameters)
[7891a2a]562        call_volume = "#define CALL_VOLUME(_v) form_volume(%s)"%(",".join(refs))
[d5ac45f]563    else:
564        # Model doesn't have volume.  We could make the kernel run a little
565        # faster by not using/transferring the volume normalizations, but
566        # the ifdef's reduce readability more than is worthwhile.
[5ff1b03]567        call_volume = "#define CALL_VOLUME(v) 1.0"
[03cac08]568    source.append(call_volume)
569
[d2bb604]570    refs = ["_q[_i]"] + _call_pars("_v.", partable.iq_parameters)
571    call_iq = "#define CALL_IQ(_q,_i,_v) Iq(%s)" % (",".join(refs))
[32e3c9b]572    if _have_Iqxy(user_code) or isinstance(model_info.Iqxy, str):
[03cac08]573        # Call 2D model
[32e3c9b]574        refs = ["_q[2*_i]", "_q[2*_i+1]"] + _call_pars("_v.", partable.iqxy_parameters)
[d2bb604]575        call_iqxy = "#define CALL_IQ(_q,_i,_v) Iqxy(%s)" % (",".join(refs))
[03cac08]576    else:
577        # Call 1D model with sqrt(qx^2 + qy^2)
[2c74c11]578        #warnings.warn("Creating Iqxy = Iq(sqrt(qx^2 + qy^2))")
[03cac08]579        # still defined:: refs = ["q[i]"] + _call_pars("v", iq_parameters)
[d2bb604]580        pars_sqrt = ["sqrt(_q[2*_i]*_q[2*_i]+_q[2*_i+1]*_q[2*_i+1])"] + refs[1:]
581        call_iqxy = "#define CALL_IQ(_q,_i,_v) Iq(%s)" % (",".join(pars_sqrt))
[03cac08]582
[32e3c9b]583    magpars = [k-2 for k,p in enumerate(partable.call_parameters)
584               if p.type == 'sld']
585
[03cac08]586    # Fill in definitions for numbers of parameters
[d19962c]587    source.append("#define MAX_PD %s"%partable.max_pd)
[a4280bd]588    source.append("#define NUM_PARS %d"%partable.npars)
[9eb3632]589    source.append("#define NUM_VALUES %d" % partable.nvalues)
[a4280bd]590    source.append("#define NUM_MAGNETIC %d" % partable.nmagnetic)
[32e3c9b]591    source.append("#define MAGNETIC_PARS %s"%",".join(str(k) for k in magpars))
[a4280bd]592    for k,v in enumerate(magpars[:3]):
593        source.append("#define MAGNETIC_PAR%d %d"%(k+1, v))
[03cac08]594
595    # TODO: allow mixed python/opencl kernels?
596
[a4280bd]597    ocl = kernels(ocl_code, call_iq, call_iqxy, model_info.name)
598    dll = kernels(dll_code, call_iq, call_iqxy, model_info.name)
599    result = {
600        'dll': '\n'.join(source+dll[0]+dll[1]+dll[2]),
601        'opencl': '\n'.join(source+ocl[0]+ocl[1]+ocl[2]),
602    }
603
604    return result
[5ceb7d0]605
[7891a2a]606
[a4280bd]607def kernels(kernel, call_iq, call_iqxy, name):
[b966a96]608    # type: ([str,str], str, str, str) -> List[str]
609    code = kernel[0]
610    path = kernel[1].replace('\\', '\\\\')
[9eb3632]611    iq = [
[f2f67a6]612        # define the Iq kernel
[32e3c9b]613        "#define KERNEL_NAME %s_Iq" % name,
[f2f67a6]614        call_iq,
[a4280bd]615        '#line 1 "%s Iq"' % path,
[b966a96]616        code,
[f2f67a6]617        "#undef CALL_IQ",
618        "#undef KERNEL_NAME",
[9eb3632]619        ]
[f2f67a6]620
[9eb3632]621    iqxy = [
[f2f67a6]622        # define the Iqxy kernel from the same source with different #defines
[32e3c9b]623        "#define KERNEL_NAME %s_Iqxy" % name,
[f2f67a6]624        call_iqxy,
[a4280bd]625        '#line 1 "%s Iqxy"' % path,
[b966a96]626        code,
[32e3c9b]627        "#undef CALL_IQ",
628        "#undef KERNEL_NAME",
[9eb3632]629         ]
[32e3c9b]630
[9eb3632]631    imagnetic = [
[32e3c9b]632        # define the Imagnetic kernel
633        "#define KERNEL_NAME %s_Imagnetic" % name,
634        "#define MAGNETIC 1",
[f2f67a6]635        call_iqxy,
[a4280bd]636        '#line 1 "%s Imagnetic"' % path,
[b966a96]637        code,
[32e3c9b]638        "#undef MAGNETIC",
[f2f67a6]639        "#undef CALL_IQ",
640        "#undef KERNEL_NAME",
641    ]
[a4280bd]642
643    return iq, iqxy, imagnetic
[f2f67a6]644
[4d76711]645
[68e7f9d]646def load_kernel_module(model_name):
[f619de7]647    # type: (str) -> module
[f2f67a6]648    """
649    Return the kernel module named in *model_name*.
650
651    If the name ends in *.py* then load it as a custom model using
652    :func:`sasmodels.custom.load_custom_kernel_module`, otherwise
653    load it from :mod:`sasmodels.models`.
654    """
[68e7f9d]655    if model_name.endswith('.py'):
656        kernel_module = load_custom_kernel_module(model_name)
657    else:
658        from sasmodels import models
659        __import__('sasmodels.models.'+model_name)
660        kernel_module = getattr(models, model_name, None)
661    return kernel_module
662
[5ceb7d0]663
664section_marker = re.compile(r'\A(?P<first>[%s])(?P=first)*\Z'
[7891a2a]665                            % re.escape(string.punctuation))
[5ceb7d0]666def _convert_section_titles_to_boldface(lines):
[f619de7]667    # type: (Sequence[str]) -> Iterator[str]
[5ceb7d0]668    """
669    Do the actual work of identifying and converting section headings.
670    """
671    prior = None
672    for line in lines:
673        if prior is None:
674            prior = line
675        elif section_marker.match(line):
676            if len(line) >= len(prior):
677                yield "".join(("**", prior, "**"))
678                prior = None
679            else:
680                yield prior
681                prior = line
682        else:
683            yield prior
684            prior = line
685    if prior is not None:
686        yield prior
687
[7891a2a]688
[5ceb7d0]689def convert_section_titles_to_boldface(s):
[f619de7]690    # type: (str) -> str
[5ceb7d0]691    """
692    Use explicit bold-face rather than section headings so that the table of
693    contents is not polluted with section names from the model documentation.
694
695    Sections are identified as the title line followed by a line of punctuation
696    at least as long as the title line.
697    """
698    return "\n".join(_convert_section_titles_to_boldface(s.split('\n')))
699
[7891a2a]700
[17bbadd]701def make_doc(model_info):
[f619de7]702    # type: (ModelInfo) -> str
[5ceb7d0]703    """
704    Return the documentation for the model.
705    """
706    Iq_units = "The returned value is scaled to units of |cm^-1| |sr^-1|, absolute scale."
707    Sq_units = "The returned value is a dimensionless structure factor, $S(q)$."
[6592f56]708    docs = model_info.docs if model_info.docs is not None else ""
709    docs = convert_section_titles_to_boldface(docs)
[a5b8477]710    pars = make_partable(model_info.parameters.COMMON
711                         + model_info.parameters.kernel_parameters)
[6d6508e]712    subst = dict(id=model_info.id.replace('_', '-'),
713                 name=model_info.name,
714                 title=model_info.title,
[a5b8477]715                 parameters=pars,
[6d6508e]716                 returns=Sq_units if model_info.structure_factor else Iq_units,
[5ceb7d0]717                 docs=docs)
718    return DOC_HEADER % subst
719
720
[6592f56]721# TODO: need a single source for rst_prolog; it is also in doc/rst_prolog
722RST_PROLOG = """\
723.. |Ang| unicode:: U+212B
724.. |Ang^-1| replace:: |Ang|\ :sup:`-1`
725.. |Ang^2| replace:: |Ang|\ :sup:`2`
726.. |Ang^-2| replace:: |Ang|\ :sup:`-2`
727.. |1e-6Ang^-2| replace:: 10\ :sup:`-6`\ |Ang|\ :sup:`-2`
728.. |Ang^3| replace:: |Ang|\ :sup:`3`
729.. |Ang^-3| replace:: |Ang|\ :sup:`-3`
730.. |Ang^-4| replace:: |Ang|\ :sup:`-4`
731.. |cm^-1| replace:: cm\ :sup:`-1`
732.. |cm^2| replace:: cm\ :sup:`2`
733.. |cm^-2| replace:: cm\ :sup:`-2`
734.. |cm^3| replace:: cm\ :sup:`3`
735.. |1e15cm^3| replace:: 10\ :sup:`15`\ cm\ :sup:`3`
736.. |cm^-3| replace:: cm\ :sup:`-3`
737.. |sr^-1| replace:: sr\ :sup:`-1`
738.. |P0| replace:: P\ :sub:`0`\
739
740.. |equiv| unicode:: U+2261
741.. |noteql| unicode:: U+2260
742.. |TM| unicode:: U+2122
743
744.. |cdot| unicode:: U+00B7
745.. |deg| unicode:: U+00B0
746.. |g/cm^3| replace:: g\ |cdot|\ cm\ :sup:`-3`
747.. |mg/m^2| replace:: mg\ |cdot|\ m\ :sup:`-2`
748.. |fm^2| replace:: fm\ :sup:`2`
749.. |Ang*cm^-1| replace:: |Ang|\ |cdot|\ cm\ :sup:`-1`
750"""
751
752# TODO: make a better fake reference role
753RST_ROLES = """\
754.. role:: ref
755
756.. role:: numref
757
758"""
759
[001d9f5]760def make_html(model_info):
761    """
762    Convert model docs directly to html.
763    """
764    from . import rst2html
[6592f56]765
766    rst = make_doc(model_info)
767    return rst2html.rst2html("".join((RST_ROLES, RST_PROLOG, rst)))
768
769def view_html(model_name):
770    from . import rst2html
771    from . import modelinfo
772    kernel_module = load_kernel_module(model_name)
773    info = modelinfo.make_model_info(kernel_module)
774    url = "file://"+dirname(info.filename)+"/"
775    rst2html.wxview(make_html(info), url=url)
[001d9f5]776
[5ceb7d0]777def demo_time():
[f619de7]778    # type: () -> None
[5ceb7d0]779    """
780    Show how long it takes to process a model.
781    """
782    import datetime
[6d6508e]783    from .modelinfo import make_model_info
784    from .models import cylinder
785
[5ceb7d0]786    tic = datetime.datetime.now()
[17bbadd]787    make_source(make_model_info(cylinder))
[5ceb7d0]788    toc = (datetime.datetime.now() - tic).total_seconds()
789    print("time: %g"%toc)
790
[7891a2a]791
[5ceb7d0]792def main():
[f619de7]793    # type: () -> None
[5ceb7d0]794    """
795    Program which prints the source produced by the model.
796    """
[d19962c]797    import sys
[6d6508e]798    from .modelinfo import make_model_info
799
[5ceb7d0]800    if len(sys.argv) <= 1:
801        print("usage: python -m sasmodels.generate modelname")
802    else:
803        name = sys.argv[1]
[68e7f9d]804        kernel_module = load_kernel_module(name)
805        model_info = make_model_info(kernel_module)
[17bbadd]806        source = make_source(model_info)
[a4280bd]807        print(source['dll'])
[5ceb7d0]808
[7891a2a]809
[5ceb7d0]810if __name__ == "__main__":
811    main()
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