Changeset 32e3c9b in sasmodels for sasmodels/modelinfo.py

Timestamp:

Jul 21, 2016 2:08:04 PM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

b966a96

Parents:

42356c8

Message:

dll version of magnetic sld

File:

• sasmodels/modelinfo.py (modified) (11 diffs)

sasmodels/modelinfo.py

@@ -414 +414 @@
         self.kernel_parameters = parameters
         self._set_vector_lengths()
+
+        self.npars = sum(p.length for p in self.kernel_parameters)
+        self.num_magnetic = sum(p.length for p in self.kernel_parameters
+                                if p.type=='sld')
+
         self.call_parameters = self._get_call_parameters()
         self.defaults = self._get_defaults()
@@ -441 +446 @@
         num_pd = sum(p.length for p in self.kernel_parameters if p.polydisperse)
         # Don't use more polydisperse parameters than are available in the model
-        # Note: we can do polydispersity on arbitrary parameters, so it is not
-        # clear that this is a good idea; it does however make the poly_details
-        # code easier to write, so we will leave it in for now.
         self.max_pd = min(num_pd, MAX_PD)
-
-        self.npars = sum(p.length for p in self.kernel_parameters)
 
         # true if has 2D parameters
         self.has_2d = any(p.type in ('orientation', 'magnetic')
                           for p in self.kernel_parameters)
+        self.magnetism_index = [k for k,p in enumerate(self.call_parameters)
+                                if p.id.startswith('M0:')]
 
         self.pd_1d = set(p.name for p in self.call_parameters
                          if p.polydisperse and p.type not in ('orientation', 'magnetic'))
-        self.pd_2d = set(p.name for p in self.call_parameters
-                         if p.polydisperse and p.type != 'magnetic')
+        self.pd_2d = set(p.name for p in self.call_parameters if p.polydisperse)
 
     def _set_vector_lengths(self):
@@ -519 +520 @@
                     pk.relative_pd = p.relative_pd
                     full_list.append(pk)
+
+        # Add the magnetic parameters to the end of the call parameter list.
+        if self.num_magnetic > 0:
+            full_list.extend([
+                Parameter('up:frac_i', '', 0., [0., 1.],
+                          'magnetic', 'fraction of spin up incident'),
+                Parameter('up:frac_f', '', 0., [0., 1.],
+                          'magnetic', 'fraction of spin up final'),
+                Parameter('up:angle', 'degress', 0., [0., 360.],
+                          'magnetic', 'spin up angle'),
+            ])
+            slds = [p for p in full_list if p.type == 'sld']
+            for p in slds:
+                full_list.extend([
+                    Parameter('M0:'+p.id, '1e-6/Ang^2', 0., [-np.inf, np.inf],
+                              'magnetic', 'magnetic amplitude for '+p.description),
+                    Parameter('mtheta:'+p.id, 'degrees', 0., [-90., 90.],
+                               'magnetic', 'magnetic latitude for '+p.description),
+                    Parameter('mphi:'+p.id, 'degrees', 0., [-180., 180.],
+                               'magnetic', 'magnetic longitude for '+p.description),
+                ])
+        #print("call parameters", full_list)
         return full_list
 
@@ -553 +576 @@
         parameter is always returned first since the GUI will want to set it
         early, and rerender the table when it is changed.
+
+        Parameters marked as sld will automatically have a set of associated
+        magnetic parameters (m0:p, mtheta:p, mphi:p), as well as polarization
+        information (up:theta, up:frac_i, up:frac_f).
         """
         # control parameters go first
@@ -565 +592 @@
 
         # Gather entries such as name[4] into groups of the same length
-        fixed = {}  # type: Dict[int, List[Parameter]]
+        fixed_length = {}  # type: Dict[int, List[Parameter]]
         for p in self.kernel_parameters:
             if p.length > 1 and p.length_control is None:
-                fixed.setdefault(p.length, []).append(p)
+                fixed_length.setdefault(p.length, []).append(p)
 
         # Using the call_parameters table, we already have expanded forms
         # for each of the vector parameters; put them in a lookup table
         expanded_pars = dict((p.name, p) for p in self.call_parameters)
+
+        def append_group(name):
+            """add the named parameter, and related magnetic parameters if any"""
+            result.append(expanded_pars[name])
+            if is2d:
+                for tag in 'M0:', 'mtheta:', 'mphi:':
+                    if tag+name in expanded_pars:
+                        result.append(expanded_pars[tag+name])
 
         # Gather the user parameters in order
@@ -589 +624 @@
                     for k in range(1, table_length+1):
                         for entry in table:
-                            result.append(expanded_pars[entry.id+str(k)])
+                            append_group(entry.id+str(k))
                 else:
                     pass # already processed all entries
             elif p.length > 1:
-                table = fixed.get(p.length, [])
+                table = fixed_length.get(p.length, [])
                 if table:
                     table_length = p.length
-                    del fixed[p.length]
+                    del fixed_length[p.length]
                     for k in range(1, table_length+1):
                         for entry in table:
-                            result.append(expanded_pars[entry.id+str(k)])
+                            append_group(entry.id+str(k))
                 else:
                     pass # already processed all entries
             else:
-                result.append(p)
+                append_group(p.id)
+
+        if is2d and 'up:angle' in expanded_pars:
+            result.extend([
+                expanded_pars['up:frac_i'],
+                expanded_pars['up:frac_f'],
+                expanded_pars['up:angle'],
+            ])
 
         return result
@@ -634 +676 @@
     if (model_info.Iq is None
         and model_info.Iqxy is None
+        and model_info.Imagnetic is None
         and model_info.form_volume is None):
         return
@@ -643 +686 @@
         return
     for k, v in enumerate(source.split('\n')):
-        if v.startswith('Iqxy'):
+        if v.startswith('Imagnetic'):
+            model_info._Imagnetic_line = k+1
+        elif v.startswith('Iqxy'):
             model_info._Iqxy_line = k+1
         elif v.startswith('Iq'):
@@ -692 +737 @@
     info.Iq = getattr(kernel_module, 'Iq', None) # type: ignore
     info.Iqxy = getattr(kernel_module, 'Iqxy', None) # type: ignore
+    info.Imagnetic = getattr(kernel_module, 'Imagnetic', None) # type: ignore
     info.profile = getattr(kernel_module, 'profile', None) # type: ignore
     info.sesans = getattr(kernel_module, 'sesans', None) # type: ignore
@@ -843 +889 @@
     #: Returns *I(qx, qy, a, b, ...)*.  The interface follows :attr:`Iq`.
     Iqxy = None             # type: Union[None, str, Callable[[np.ndarray], np.ndarray]]
+    #: Returns *I(qx, qy, a, b, ...)*.  The interface follows :attr:`Iq`.
+    Imagnetic = None        # type: Union[None, str, Callable[[np.ndarray], np.ndarray]]
     #: Returns a model profile curve *x, y*.  If *profile* is defined, this
     #: curve will appear in response to the *Show* button in SasView.  Use
@@ -857 +905 @@
     # line numbers within the python file for bits of C source, if defined
     # NB: some compilers fail with a "#line 0" directive, so default to 1.
+    _Imagnetic_line = 1
     _Iqxy_line = 1
     _Iq_line = 1