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Don't include magnetism parameters in pure python models #734

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4 changes: 0 additions & 4 deletions sasmodels/compare.py
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Original file line number Diff line number Diff line change
Expand Up @@ -539,10 +539,6 @@ def constrain_pars(model_info, pars):
if '*' in name:
name = name.split('*')[0]

# Suppress magnetism for python models (not yet implemented)
if not model_info.compiled:
pars.update(suppress_magnetism(pars))

if name == 'barbell':
if pars['radius_bell'] < pars['radius']:
_swap_pars(pars, 'radius_bell', 'radius')
Expand Down
68 changes: 43 additions & 25 deletions sasmodels/modelinfo.py
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Original file line number Diff line number Diff line change
Expand Up @@ -59,8 +59,8 @@
and COMMON_PARAMETERS[1][0] == "background"), "don't change common parameters"


def make_parameter_table(pars):
# type: (list[ParameterDef]) -> ParameterTable
def make_parameter_table(pars, allow_magnetic=True):
# type: (list[ParameterDef], bool) -> ParameterTable
"""
Construct a parameter table from a list of parameter definitions.

Expand All @@ -73,7 +73,7 @@ def make_parameter_table(pars):
raise ValueError("Parameter should be [name, units, default, limits, type, desc], but got %r"
%str(p))
processed.append(parse_parameter(*p))
partable = ParameterTable(processed)
partable = ParameterTable(processed, allow_magnetic=allow_magnetic)
partable.check_angles(strict=True)
return partable

Expand Down Expand Up @@ -141,6 +141,15 @@ def parse_parameter(name, units='', default=np.nan,
else:
pid, ref = name, None

# TODO: remove code to identify type=sld based on "sld" in the parameter name
# Suppressing the following will remove magnetic parameters from models
# with implicitly defined sld types. Since this will change the behaviour
# on user-defined plugin models this should not happen except for during
# a major version update. We may, however, generate a deprecation warning
# when such a model is loaded. Note that this removes magnetism attributes
# from the parameter, so it is unlikely that it is being used, but saved
# models may fail when they try to set the M0 attribute on load.

# automatically identify sld types
if ptype == '' and (pid.startswith('sld') or pid.endswith('sld')):
ptype = 'sld'
Expand Down Expand Up @@ -434,8 +443,8 @@ class ParameterTable:
the scale and background parameters that the kernel does not see. User
parameters don't use vector notation, and instead use p1, p2, ...
"""
def __init__(self, parameters):
# type: (list[Parameter]) -> None
def __init__(self, parameters, allow_magnetic=True):
# type: (list[Parameter], bool) -> None

# scale and background are implicit parameters
# Need them to be unique to each model in case they have different
Expand All @@ -444,8 +453,11 @@ def __init__(self, parameters):
self.kernel_parameters = parameters
self._set_vector_lengths()
self.npars = sum(p.length for p in self.kernel_parameters)
self.nmagnetic = sum(p.length for p in self.kernel_parameters
if p.type == 'sld')
if allow_magnetic:
self.nmagnetic = sum(
p.length for p in self.kernel_parameters if p.type == 'sld')
else:
self.nmagnetic = 0
self.nvalues = NUM_COMMON_PARS + self.npars
if self.nmagnetic:
self.nvalues += NUM_MAGFIELD_PARS + NUM_MAGNETIC_PARS*self.nmagnetic
Expand Down Expand Up @@ -913,29 +925,38 @@ def make_model_info(kernel_module):
# Custom sum/multi models
return kernel_module.model_info

info = ModelInfo()

# Build the parameter table
#print("make parameter table", kernel_module.parameters)
parameters = make_parameter_table(getattr(kernel_module, 'parameters', []))

# background defaults to zero for structure factor models
structure_factor = getattr(kernel_module, 'structure_factor', False)
if structure_factor:
parameters.set_zero_background()

filename = abspath(kernel_module.__file__).replace('.pyc', '.py')
kernel_id = splitext(basename(filename))[0]
name = getattr(kernel_module, 'name', None)
if name is None:
name = " ".join(w.capitalize() for w in kernel_id.split('_'))

parameters = getattr(kernel_module, 'parameters', None)
if parameters is None:
raise ValueError("no parameter table specified for {filename}")

info = ModelInfo()
info.id = kernel_id # string used to load the kernel
info.basefile = info.filename = filename
info.name = name
info.basefile = info.filename = filename

info.Iq = getattr(kernel_module, 'Iq', None) # type: ignore
info.Fq = getattr(kernel_module, 'Fq', None) # type: ignore
info.compiled = not callable(info.Iq) and not callable(info.Fq)

# TODO: enable magnetism for pure python models
# Build the parameter table
# print("make parameter table", parameters)
parameter_table = make_parameter_table(parameters, allow_magnetic=info.compiled)

# background defaults to zero for structure factor models
structure_factor = getattr(kernel_module, 'structure_factor', False)
if structure_factor:
parameter_table.set_zero_background()
info.base = info.parameters = parameter_table

info.title = getattr(kernel_module, 'title', name+" model")
info.description = getattr(kernel_module, 'description', 'no description')
info.base = info.parameters = parameters
info.translation = None
info.composition = None
info.docs = kernel_module.__doc__
Expand All @@ -953,8 +974,6 @@ def make_model_info(kernel_module):
info.valid = getattr(kernel_module, 'valid', '')
info.form_volume = getattr(kernel_module, 'form_volume', None) # type: ignore
info.shell_volume = getattr(kernel_module, 'shell_volume', None) # type: ignore
info.Iq = getattr(kernel_module, 'Iq', None) # type: ignore
info.Fq = getattr(kernel_module, 'Fq', None) # type: ignore
# TODO: We should be able to find Fq in C code by inspection.
info.have_Fq = getattr(kernel_module, 'have_Fq', (info.Fq is not None))
info.Iqxy = getattr(kernel_module, 'Iqxy', None) # type: ignore
Expand All @@ -964,7 +983,6 @@ def make_model_info(kernel_module):
info.profile = getattr(kernel_module, 'profile', None) # type: ignore
info.sesans = getattr(kernel_module, 'sesans', None) # type: ignore
# Default single and opencl to True for C models. Python models have callable Iq.
info.compiled = not callable(info.Iq) and not callable(info.Fq)
info.opencl = getattr(kernel_module, 'opencl', info.compiled)
info.single = getattr(kernel_module, 'single', info.compiled)
info.random = getattr(kernel_module, 'random', None)
Expand All @@ -973,9 +991,9 @@ def make_model_info(kernel_module):
# Set control flag for explicitly set parameters, e.g., in the RPA model.
control = getattr(kernel_module, 'control', None)
if control is not None:
parameters[control].is_control = True
parameter_table[control].is_control = True

if not info.compiled and parameters.has_2d:
if not info.compiled and parameter_table.has_2d:
raise ValueError("oriented python models not supported")

# CRUFT: support old-style ER() for effective radius
Expand Down
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