tequila-basic 1.9.9__py3-none-any.whl → 1.9.10__py3-none-any.whl

tequila/objective/qtensor.py

@@ -1,7 +1,9 @@
-import numpy, typing
+import numpy
+import typing
 from .objective import Objective, ExpectationValueImpl, format_variable_dictionary
 from tequila import TequilaException
 
+
 class QTensor(numpy.ndarray):
     # see here: https://numpy.org/devdocs/user/basics.subclassing.html
 
@@ -15,17 +17,17 @@ class QTensor(numpy.ndarray):
         # do all-zero initialization
         shape = self.shape
         if objective_list is None:
-            with numpy.nditer(self, flags =["refs_ok"], op_flags=['readwrite']) as it:
+            with numpy.nditer(self, flags=["refs_ok"], op_flags=["readwrite"]) as it:
                 for x in it:
                     x[...] = Objective()
         else:
-            j=0
-            with numpy.nditer(self, flags =["refs_ok"], op_flags=['readwrite']) as it:
+            j = 0
+            with numpy.nditer(self, flags=["refs_ok"], op_flags=["readwrite"]) as it:
                 for x in it:
                     x[...] = objective_list[j]
-                    j=j+1
+                    j = j + 1
 
-    def __call__(self,variables=None, *args, **kwargs):
+    def __call__(self, variables=None, *args, **kwargs):
         """
         Return the output of the calculation the objective represents.
 
@@ -45,13 +47,15 @@ class QTensor(numpy.ndarray):
         # failsafe
         check_variables = {k: k in variables for k in self.extract_variables()}
         if not all(list(check_variables.values())):
-            raise TequilaException("Objective did not receive all variables:\n"
-                                   "You gave\n"
-                                   " {}\n"
-                                   " but the objective depends on\n"
-                                   " {}\n"
-                                   " missing values for\n"
-                                   " {}".format(variables, self.extract_variables(), [k for k,v in check_variables.items() if not v]))
+            raise TequilaException(
+                "Objective did not receive all variables:\n"
+                "You gave\n"
+                " {}\n"
+                " but the objective depends on\n"
+                " {}\n"
+                " missing values for\n"
+                " {}".format(variables, self.extract_variables(), [k for k, v in check_variables.items() if not v])
+            )
 
         # avoid multiple evaluations
         evaluated = {}
@@ -60,7 +64,7 @@ class QTensor(numpy.ndarray):
         for obj in newtensor:
             a = obj(variables=variables, *args, **kwargs)
             ev_array.append(a)
-        ev_array = numpy.reshape(ev_array,self.shape)
+        ev_array = numpy.reshape(ev_array, self.shape)
         if ev_array.shape == ():
             return float(ev_array)
         elif len(ev_array) == 1:
@@ -73,11 +77,11 @@ class QTensor(numpy.ndarray):
         _fn = numpy.vectorize(_f)
         return _fn(self)
 
-    def extract_variables(self)->list:
+    def extract_variables(self) -> list:
         newtensor = self.flatten()
         unique = []
         for obj in newtensor:
-            if hasattr(obj, 'extract_variables'):
+            if hasattr(obj, "extract_variables"):
                 var_list = obj.extract_variables()
                 for j in var_list:
                     if j not in unique:
@@ -94,7 +98,7 @@ class QTensor(numpy.ndarray):
         newtensor = self.flatten()
         expvals = []
         for obj in newtensor:
-            if hasattr(obj, 'get_expectationvalues'):
+            if hasattr(obj, "get_expectationvalues"):
                 expvals += obj.get_expectationvalues()
         return expvals
 
@@ -129,7 +133,7 @@ class QTensor(numpy.ndarray):
             return len(self.get_expectationvalues())
 
     def __repr__(self):
-        _repmat = numpy.empty(self.shape,dtype = object)
+        _repmat = numpy.empty(self.shape, dtype=object)
         _repmat = _repmat.flatten()
         newtensor = self.flatten()
         for i in range(len(newtensor)):
@@ -144,7 +148,7 @@ class QTensor(numpy.ndarray):
         newtensor = self.flatten()
         types = []
         for obj in newtensor:
-            if hasattr(obj, 'get_expectationvalues'):
+            if hasattr(obj, "get_expectationvalues"):
                 _types = [type(E) for E in obj.get_expectationvalues()]
                 for tt in _types:
                     types.append(tt)
@@ -157,20 +161,21 @@ class QTensor(numpy.ndarray):
 
         unique = self.count_expectationvalues(unique=True)
         measurements = self.count_measurements()
-        return "QTensor of shape {} with {} unique expectation values\n" \
-              "total measurements = {}\n" \
-              "variables          = {}\n" \
-              "types              = {}".format(self.shape, unique, measurements, variables, types)
+        return (
+            "QTensor of shape {} with {} unique expectation values\n"
+            "total measurements = {}\n"
+            "variables          = {}\n"
+            "types              = {}".format(self.shape, unique, measurements, variables, types)
+        )
 
     def contract(self):
         newtensor = self.flatten()
-        out_array=[obj for obj in newtensor]
+        out_array = [obj for obj in newtensor]
         summed = out_array[0]
         for entry in out_array[1:]:
             summed += entry
         return summed
 
-
     class HelperObject:
         """
         This is a small helper object class for tequila objectives
@@ -178,17 +183,21 @@ class QTensor(numpy.ndarray):
         create if like this:
             ff = HelperObject(func=f) where f is the function you want to apply later (e.g. numpy.sin)
         use if like this with tequila objectives
-            f_on_objective = ff(objective) 
+            f_on_objective = ff(objective)
         """
+
         def __init__(self, func):
             self.func = func
+
         def __call__(self, objective):
             return objective.apply(self.func)
 
+
 # ------------------------------------------------------
 # backward compatibility with old VectorObjective class
 # ------------------------------------------------------
 
+
 def vectorize(objectives):
     """
     Combine several objectives in order, into one longer vector.
@@ -206,6 +215,7 @@ def vectorize(objectives):
     """
     return QTensor(objective_list=objectives, shape=(len(objectives),))
 
+
 def VectorObjective(argsets: typing.Iterable = None, transformations: typing.Iterable[callable] = None):
     if argsets is None:
         return QTensor()
@@ -219,4 +229,3 @@ def VectorObjective(argsets: typing.Iterable = None, transformations: typing.Ite
             objective_list.append(Objective(args=argsets[i], transformation=transformations[i]))
 
     return vectorize(objectives=objective_list)
-

tequila/optimizers/__init__.py

@@ -6,7 +6,9 @@ from tequila.optimizers.optimizer_gd import minimize as minimize_gd
 from tequila.simulators.simulator_api import simulate
 from dataclasses import dataclass
 
-import typing, numbers, numpy
+import typing
+import numbers
+import numpy
 
 
 @dataclass
@@ -16,27 +18,26 @@ class _Optimizers:
     methods: list = None
 
 
-SUPPORTED_OPTIMIZERS = ['scipy', 'gpyopt', 'gd']
+SUPPORTED_OPTIMIZERS = ["scipy", "gpyopt", "gd"]
 INSTALLED_OPTIMIZERS = {}
-INSTALLED_OPTIMIZERS['scipy'] = _Optimizers(cls=OptimizerSciPy,
-                                            minimize=minimize_scipy,
-                                            methods=OptimizerSciPy.available_methods())
-INSTALLED_OPTIMIZERS['gd'] = _Optimizers(cls=OptimizerGD,
-                                         minimize=minimize_gd,
-                                         methods=OptimizerGD.available_methods())
+INSTALLED_OPTIMIZERS["scipy"] = _Optimizers(
+    cls=OptimizerSciPy, minimize=minimize_scipy, methods=OptimizerSciPy.available_methods()
+)
+INSTALLED_OPTIMIZERS["gd"] = _Optimizers(cls=OptimizerGD, minimize=minimize_gd, methods=OptimizerGD.available_methods())
 
 has_gpyopt = False
 try:
     from tequila.optimizers.optimizer_gpyopt import OptimizerGPyOpt
     from tequila.optimizers.optimizer_gpyopt import minimize as minimize_gpyopt
 
-    INSTALLED_OPTIMIZERS['gpyopt'] = _Optimizers(cls=OptimizerGPyOpt,
-                                                 minimize=minimize_gpyopt,
-                                                 methods=OptimizerGPyOpt.available_methods())
+    INSTALLED_OPTIMIZERS["gpyopt"] = _Optimizers(
+        cls=OptimizerGPyOpt, minimize=minimize_gpyopt, methods=OptimizerGPyOpt.available_methods()
+    )
     has_gpyopt = True
 except ImportError:
     has_gpyopt = False
 
+
 def show_available_optimizers(module=None):
     """
     Returns
@@ -65,13 +66,15 @@ def show_available_optimizers(module=None):
         print("Installed optimizer modules: ", list(INSTALLED_OPTIMIZERS.keys()))
 
 
-def minimize(objective,
-             method: str = "bfgs",
-             variables: list = None,
-             initial_values: typing.Union[dict, numbers.Number, typing.Callable] = 0.0,
-             maxiter: int = None,
-             *args,
-             **kwargs):
+def minimize(
+    objective,
+    method: str = "bfgs",
+    variables: list = None,
+    initial_values: typing.Union[dict, numbers.Number, typing.Callable] = 0.0,
+    maxiter: int = None,
+    *args,
+    **kwargs,
+):
     """
 
     Parameters
@@ -115,10 +118,12 @@ def minimize(objective,
 
     """
 
-    ovtmp=objective.extract_variables()
-    fast_return=False
+    ovtmp = objective.extract_variables()
+    fast_return = False
     if ovtmp is None or len(ovtmp) == 0:
-        return OptimizerResults(energy=float(simulate(objective, *args, **kwargs)), variables={}, history=OptimizerHistory())
+        return OptimizerResults(
+            energy=float(simulate(objective, *args, **kwargs)), variables={}, history=OptimizerHistory()
+        )
 
     for k, v in INSTALLED_OPTIMIZERS.items():
         if method.lower() in v.methods or method.upper() in v.methods:
@@ -128,7 +133,10 @@ def minimize(objective,
                 variables=variables,
                 initial_values=initial_values,
                 maxiter=maxiter,
-                *args, **kwargs)
+                *args,
+                **kwargs,
+            )
 
     raise TequilaOptimizerException(
-        "Could not find optimization method {} in tequila optimizers. You might miss dependencies")
+        "Could not find optimization method {} in tequila optimizers. You might miss dependencies"
+    )

tequila/optimizers/_containers.py

@@ -2,12 +2,12 @@ import numpy
 from tequila.objective import format_variable_dictionary
 from tequila.tools.qng import evaluate_qng
 import sys
+
 """
 Define Containers for SciPy usage
 """
 
 
-
 class _EvalContainer:
     """
     Container Class to access scipy and keep the optimization history.
@@ -35,8 +35,9 @@ class _EvalContainer:
 
     """
 
-    def __init__(self, objective, param_keys, passive_angles=None, samples=None, save_history=True,
-                 print_level: int = 3):
+    def __init__(
+        self, objective, param_keys, passive_angles=None, samples=None, save_history=True, print_level: int = 3
+    ):
         self.objective = objective
         self.samples = samples
         self.param_keys = param_keys
@@ -135,11 +136,14 @@ class _QngContainer(_EvalContainer):
         evaluate the qng.
     """
 
-
     def __init__(self, combos, param_keys, passive_angles=None, samples=None, save_history=True):
-
-        super().__init__(objective=None, param_keys=param_keys, passive_angles=passive_angles,
-                         samples=samples, save_history=save_history)
+        super().__init__(
+            objective=None,
+            param_keys=param_keys,
+            passive_angles=passive_angles,
+            samples=samples,
+            save_history=save_history,
+        )
 
         self.combos = combos