Support loss tangents for different interfaces (surfaces) in do_EPR_analysis

pyEPR/_config_user.py

@@ -49,6 +49,22 @@
         # units: unitless, since this is tan(delta)
         tan_delta_surf=1e-3,
 
+        ##################################################
+        # Surface object specific dielectric properties.
+        # These will override ones above when applicable
+        dielectric_surfaces=Dict(
+            trace=Dict(
+                tan_delta_surf=0.001,
+                th=5e-9,
+                eps_r=10
+            ),
+            gap=Dict(
+                tan_delta_surf=0.001,
+                th=2e-9,
+                eps_r=10
+            )
+        ),
+
         ##################################################
         # Thin-film surface loss
         # units:  Ohms

pyEPR/core_distributed_analysis.py

@@ -878,24 +878,27 @@ def get_Qdielectric(self, dielectric, mode, variation, U_E=None):
         U_dielectric = self.calc_energy_electric(variation, obj=dielectric)
         p_dielectric = U_dielectric/U_E
         # TODO: Update make p saved sep. and get Q for diff materials, indep. specify in pinfo
-        Qdielectric['Qdielectric_'+dielectric+'_' +
-                    str(mode)] = 1/(p_dielectric*config.dissipation.tan_delta_sapp)
-        print('p_dielectric'+'_'+dielectric+'_' +
-              str(mode)+' = ' + str(p_dielectric))
+        Qdielectric['Qdielectric_' + dielectric] = 1/(p_dielectric*config.dissipation.tan_delta_sapp)
+        print('p_dielectric'+'_'+dielectric+'_' + str(mode) + ' = ' + str(p_dielectric))
         return pd.Series(Qdielectric)
 
-    def get_Qsurface(self, mode, variation, name, U_E=None):
+    def get_Qsurface(self, mode, variation, name, U_E=None, material_properties=None):
         '''
         Calculate the contribution to Q of a dielectric layer of dirt on a given surface.
         Set the dirt thickness and loss tangent in the config file
         ref: http://arxiv.org/pdf/1509.01854.pdf
         '''
         if U_E is None:
             U_E = self.calc_energy_electric(variation)
+        if material_properties is None:
+            material_properties = {}
+        th = material_properties.get('th', config.dissipation.th)
+        eps_r = material_properties.get('eps_r', config.dissipation.eps_r)
+        tan_delta_surf = material_properties.get('tan_delta_surf', config.dissipation.tan_delta_surf)
+
         lv = self._get_lv(variation)
         Qsurf = OrderedDict()
-        print('Calculating Qsurface for mode ' + str(mode) +
-              ' (' + str(mode) + '/' + str(self.n_modes-1) + ')')
+        print(f'Calculating Qsurface {name} for mode ({mode}/{self.n_modes-1})')
         calcobject = CalcObject([], self.setup)
         vecE = calcobject.getQty("E")
         A = vecE
@@ -904,11 +907,10 @@ def get_Qsurface(self, mode, variation, name, U_E=None):
         A = A.real()
         A = A.integrate_surf(name=name)
         U_surf = A.evaluate(lv=lv)
-        U_surf *= config.dissipation.th*epsilon_0*config.dissipation.eps_r
+        U_surf *= th * epsilon_0 * eps_r
         p_surf = U_surf/U_E
-        Qsurf['Qsurf_'+str(mode)] = 1 / \
-            (p_surf*config.dissipation.tan_delta_surf)
-        print('p_surf'+'_'+str(mode)+' = ' + str(p_surf))
+        Qsurf[f'Qsurf_{name}'] = 1 / (p_surf * tan_delta_surf)
+        print(f'p_surf_{name}_{mode} = {p_surf}')
         return pd.Series(Qsurf)
 
     def get_Qsurface_all(self, mode, variation, U_E=None):
@@ -1308,17 +1310,15 @@ def do_EPR_analysis(self,
                             dielectric, mode, variation, self.U_E))
 
                 # get Q surface
-                if self.pinfo.dissipative['resistive_surfaces']:
-                    if self.pinfo.dissipative['resistive_surfaces'] == 'all':
+                if self.pinfo.dissipative['dielectric_surfaces']:
+                    if self.pinfo.dissipative['dielectric_surfaces'] == 'all':
                         sol = sol.append(
                             self.get_Qsurface_all(mode, variation, self.U_E))
                     else:
-                        raise NotImplementedError(
-                            "Join the team, by helping contribute this piece of code.")
-
-                if self.pinfo.dissipative['resistive_surfaces'] is not None:
-                    raise NotImplementedError(
-                        "Join the team, by helping contribute this piece of code.")
+                        for surface, properties in self.pinfo.dissipative['dielectric_surfaces'].items():
+                            sol = sol.append(
+                                self.get_Qsurface(mode, variation, surface, self.U_E, properties)
+                            )
 
                 SOL[mode] = sol
 

pyEPR/core_quantum_analysis.py

@@ -52,7 +52,7 @@ class HamiltonianResultsContainer(OrderedDict):
 
     def __init__(self, dict_file=None, data_dir=None):
         """ input:
-           dict file - 1. ethier None to create an empty results hamiltonian as
+           dict file - 1. either None to create an empty results hamiltonian as
                        as was done in the original code
 
                        2. or a string with the name of the file where the file of the
@@ -711,12 +711,15 @@ def analyze_variation(self,
         try:
             result['Q_coupling'] = self.Qm_coupling[variation][self.Qm_coupling[variation].columns[junctions]][modes]#TODO change the columns to junctions
         except:
-             result['Q_coupling'] = self.Qm_coupling[variation]
+            result['Q_coupling'] = self.Qm_coupling[variation]
 
         try:
             result['Qs'] = self.Qs[variation][self.PM[variation].columns[junctions]][modes] #TODO change the columns to junctions
         except:
-             result['Qs'] = self.Qs[variation][modes]
+            result['Qs'] = self.Qs[variation][modes]
+
+        result['sol'] = self.sols[variation]
+
         result['fock_trunc'] = fock_trunc
         result['cos_trunc'] = cos_trunc
 
@@ -733,7 +736,8 @@ def analyze_variation(self,
 
     def full_report_variations(self, var_list: list=None):
         """see full_variation_report"""
-        if var_list is None: var_list =self.variations
+        if var_list is None:
+            var_list = self.variations
         for variation in var_list: 
             self.full_variation_report(variation)
 

pyEPR/project_info.py

@@ -120,10 +120,12 @@ def __setitem__(self, key, value):
             # --- check valid inputs ---
             if not (key in diss_opt or key == 'pinfo'):
                 raise ValueError(f"No such parameter {key}")
-            if key != 'pinfo' and (not isinstance(value, list) or \
+            if key != 'pinfo' and (not isinstance(value, (list, dict)) or \
                     not all(isinstance(x, str) for x in value)) and (value != None):
                 raise ValueError(f'dissipative[\'{key}\'] must be a list of strings ' \
-                    'containing names of models in the project!')
+                    'containing names of models in the project or dictionary of strings of models containing ' \
+                    'material loss properties!'
+                )
             if key != 'pinfo' and hasattr(self['pinfo'], 'design'):
                 for x in value:
                     if x not in self['pinfo'].get_all_object_names():