data management: basic saving of nontrivial fourier_coef

data_management.py

@@ -231,6 +231,10 @@ class KondoExport:
                     pass
         return results
 
+    @property
+    def fourier_coef(self):
+        return self.kondo.fourier_coef
+
     def data(self, include='all'):
         """
         dictionary of Floquet matrices as numpy arrays.
@@ -425,6 +429,8 @@ class KondoExport:
                 data = self.data(include)
                 for key, value in data.items():
                     h5file.create_array(datagroup, key, value)
+                if self.fourier_coef is not None:
+                    h5file.create_array(datagroup, "fourier_coef", np.array(self.fourier_coef))
                 h5file.flush()
             finally:
                 h5file.close()
@@ -566,6 +572,12 @@ class KondoImport:
                     pass
         return results
 
+    @property
+    def fourier_coef(self):
+        if "fouier_coef" in self._datanode:
+            return self._datanode.fourier_coef.read()
+        return None
+
     def __getitem__(self, name):
         if name in self.metadata:
             return self.metadata[name]
@@ -644,12 +656,36 @@ class DataManager:
                         db.Column('padding', db.SMALLINT()),
                         db.Column('voltage_branches', db.SMALLINT()),
                         db.Column('resonant_dc_shift', db.SMALLINT()),
-                        db.Column('solver_flags', db.SMALLINT()), # unfortunately SET is not available in SQLite
+                        db.Column('solver_flags', db.SMALLINT()),
                         db.Column('integral_method', db.SMALLINT()),
                         db.Column('dirname', db.String(256)),
                         db.Column('basename', db.String(128)),
+                        db.Column('fourier_coef_id', db.INTEGER(), default=-1),
                     )
                 self.table.create(bind=connection)
+        try:
+            self.fourier_coef_table = db.Table('fourier_coef', self.metadata, autoload=True, autoload_with=self.engine)
+        except db.exc.NoSuchTableError:
+            with self.engine.begin() as connection:
+                settings.logger.info('Creating database table fourier_coef')
+                self.fourier_coef_table = db.Table(
+                        'fourier_coef',
+                        self.metadata,
+                        db.Column('id', db.INTEGER(), primary_key=True),
+                        db.Column('fc00', db.FLOAT(), default=0.),
+                        db.Column('fc01', db.FLOAT(), default=0.),
+                        db.Column('fc02', db.FLOAT(), default=0.),
+                        db.Column('fc03', db.FLOAT(), default=0.),
+                        db.Column('fc04', db.FLOAT(), default=0.),
+                        db.Column('fc05', db.FLOAT(), default=0.),
+                        db.Column('fc06', db.FLOAT(), default=0.),
+                        db.Column('fc07', db.FLOAT(), default=0.),
+                        db.Column('fc08', db.FLOAT(), default=0.),
+                        db.Column('fc09', db.FLOAT(), default=0.),
+                        db.Column('fc10', db.FLOAT(), default=0.),
+                        db.Column('fc11', db.FLOAT(), default=0.),
+                    )
+                self.fourier_coef_table.create(bind=connection)
 
     def insert_from_h5file(self, filename):
         """
@@ -685,8 +721,16 @@ class DataManager:
                         timestamp = datetime.fromtimestamp(metadata.pop("timestamp")).isoformat().replace('T', ' '),
                         dirname = dirname,
                         basename = basename,
+                        fourier_coef_id = -1,
                     )
             metadata.update(dataset.main_results)
+            fourier_coef = dataset.fourier_coef
+            if fourier_coef is not None:
+                stmt = self.fourier_coef_table.insert(values={'fc%02d'%i:f for i,f in enumerate(dataset.fourier_coef[:12])})
+                with self.engine.begin() as connection:
+                    result = connection.execute(stmt)
+                    connection.commit()
+                metadata.update(fourier_coef_id = result.inserted_primary_key)
             datasets.append(metadata)
         try:
             if not dataset._owns_h5file:
@@ -718,6 +762,13 @@ class DataManager:
                     dirname = os.path.dirname(filename),
                     basename = os.path.basename(filename),
                 )
+        fourier_coef = kondo.fourier_coef
+        if fourier_coef is not None:
+            stmt = self.fourier_coef_table.insert(values={'fc%02d'%i:f for i,f in enumerate(fourier_coef[:12])})
+            with self.engine.begin() as connection:
+                result = connection.execute(stmt)
+                connection.commit()
+            metadata.update(fourier_coef_id = result.inserted_primary_key)
         frame = pd.DataFrame(metadata, index=[0])
         frame.to_sql(
                 'datapoints',

test/benchmark.py

@@ -29,13 +29,14 @@ def benchmark_kondo(parameters, solver_opts, save=False):
 def main(list_length=100):
     solver_opts = dict(rtol=1e-8, atol=1e-10)
     parameter_dicts = [
+            dict(nmax=12, voltage_branches=4, omega=10., d=1e9, vac= 5., vdc=4., unitary_transformation=False, padding= 0, compact=0, include_Ga=True, solve_integral_exactly=True, integral_method=-1),
             dict(nmax=12, voltage_branches=4, omega=10., d=1e9, vac= 5., vdc=4., unitary_transformation=False, padding= 0, compact=0),
-            #dict(nmax=12, voltage_branches=4, omega=10., d=1e9, vac= 5., vdc=4., unitary_transformation= True, padding= 0, compact=0),
+            dict(nmax=12, voltage_branches=4, omega=10., d=1e9, vac= 5., vdc=4., unitary_transformation= True, padding= 0, compact=0),
             #dict(nmax=12, voltage_branches=4, omega=10., d=1e9, vac= 5., vdc=4., unitary_transformation= True, padding= 8, compact=0),
             #dict(nmax=24, voltage_branches=4, omega=10., d=1e9, vac=12., vdc=6., unitary_transformation=False, padding= 0, compact=0),
             #dict(nmax=24, voltage_branches=4, omega=10., d=1e9, vac=12., vdc=6., unitary_transformation= True, padding= 0, compact=0),
             #dict(nmax=24, voltage_branches=4, omega=10., d=1e9, vac=12., vdc=6., unitary_transformation= True, padding=16, compact=0),
-            #dict(nmax=24, voltage_branches=0, omega=10., d=1e9, vac=12., vdc=0., unitary_transformation= True, padding=16, compact=0),
+            dict(nmax=24, voltage_branches=0, omega=10., d=1e9, vac=12., vdc=0., unitary_transformation= True, padding=16, compact=0),
             dict(nmax=32, voltage_branches=0, omega=10., d=1e9, vac=20., vdc=0., unitary_transformation= True, padding=24, compact=2),
             #dict(nmax=128, voltage_branches=0, omega=10., d=1e9, vac=150., vdc=0., unitary_transformation=True, padding=80, compact=2),
             ]