fix merge issues and remove unused code

Author: rochisha0

src/qutip_qoc/_genetic.py

@@ -190,37 +190,3 @@ def result(self):
             "%Y-%m-%d %H:%M:%S", time.localtime(self._result.end_local_time)
         )
         return self._result
-
-
-
-from qutip_qoc import Objective, _TimeInterval
-
-initial = qt.basis(2, 0)
-target = (qt.basis(2, 0) + qt.basis(2, 1)).unit()
-H_d = qt.sigmaz()
-H_c = [qt.sigmax()]
-
-objective = Objective(H=[H_d] + H_c, initial=initial, target=target)
-time_interval = _TimeInterval(evo_time=1.0, n_tslots=20)
-
-control_parameters = {"guess": [0.0] * 20}
-alg_kwargs = {
-    "population_size": 50,
-    "generations": 100,
-    "mutation_rate": 0.3,
-    "fid_err_targ": 1e-3
-}
-integrator_kwargs = {"rtol": 1e-5, "atol": 1e-6}
-
-ga = _GENETIC(objectives=[objective],
-              control_parameters=control_parameters,
-              time_interval=time_interval,
-              time_options=None,
-              alg_kwargs=alg_kwargs,
-              optimizer_kwargs=None,
-              minimizer_kwargs=None,
-              integrator_kwargs=integrator_kwargs,
-              qtrl_optimizers=None)
-
-result = ga.optimize()
-print("Best fidelity:", 1 - result.infidelity)

src/qutip_qoc/pulse_optim.py

@@ -10,9 +10,16 @@
 
 from qutip_qoc._optimizer import _global_local_optimization
 from qutip_qoc._time import _TimeInterval
-from qutip_qoc._rl import _RL
+
+import qutip as qt
 from qutip_qoc._genetic import _GENETIC
 
+try:
+    from qutip_qoc._rl import _RL
+    _rl_available = True
+except ImportError:
+    _rl_available = False
+
 __all__ = ["optimize_pulses"]
 
 
@@ -24,6 +31,7 @@ def optimize_pulses(
     optimizer_kwargs=None,
     minimizer_kwargs=None,
     integrator_kwargs=None,
+    optimization_type=None,
 ):
     """
     Run GOAT, JOPT, GRAPE, CRAB or RL optimization.
@@ -120,6 +128,11 @@ def optimize_pulses(
         Options for the solver, see :obj:`MESolver.options` and
         `Integrator <./classes.html#classes-ode>`_ for a list of all options.
 
+    optimization_type : str, optional
+        Type of optimization. By default, QuTiP-QOC will try to automatically determine 
+        whether this is a *state transfer* or a *gate synthesis* problem. Set this 
+        flag to ``"state_transfer"`` or ``"gate_synthesis"`` to set the mode manually.
+
     Returns
     -------
     result : :class:`qutip_qoc.Result`
@@ -183,10 +196,43 @@ def optimize_pulses(
             "maxiter": algorithm_kwargs.get("max_iter", 1000),
             "gtol": algorithm_kwargs.get("min_grad", 0.0 if alg == "CRAB" else 1e-8),
         }
+    # Iterate over objectives and convert initial and target states based on the optimization type
+    for objective in objectives:
+        H_list = objective.H if isinstance(objective.H, list) else [objective.H]
+        if any(qt.issuper(H_i) for H_i in H_list):
+            if isinstance(optimization_type, str) and optimization_type.lower() == "state_transfer":
+                if qt.isket(objective.initial):
+                    objective.initial = qt.operator_to_vector(qt.ket2dm(objective.initial))
+                elif qt.isoper(objective.initial):
+                    objective.initial = qt.operator_to_vector(objective.initial)
+                if qt.isket(objective.target):
+                    objective.target = qt.operator_to_vector(qt.ket2dm(objective.target))
+                elif qt.isoper(objective.target):
+                    objective.target = qt.operator_to_vector(objective.target)
+            elif isinstance(optimization_type, str) and optimization_type.lower() == "gate_synthesis":
+                objective.initial = qt.to_super(objective.initial)
+                objective.target = qt.to_super(objective.target)
+            elif optimization_type is None:
+                if qt.isoper(objective.initial) and qt.isoper(objective.target):
+                    if np.isclose((objective.initial).tr(), 1) and np.isclose((objective.target).tr(), 1):
+                        objective.initial = qt.operator_to_vector(objective.initial)
+                        objective.target = qt.operator_to_vector(objective.target)
+                    else:
+                        objective.initial = qt.to_super(objective.initial)
+                        objective.target = qt.to_super(objective.target)
+                if qt.isket(objective.initial):
+                    objective.initial = qt.operator_to_vector(qt.ket2dm(objective.initial))
+                if qt.isket(objective.target):
+                    objective.target = qt.operator_to_vector(qt.ket2dm(objective.target))
 
     # prepare qtrl optimizers
     qtrl_optimizers = []
     if alg == "CRAB" or alg == "GRAPE":
+        dyn_type = "GEN_MAT"
+        for objective in objectives:
+            if any(qt.isoper(H_i) for H_i in (objective.H if isinstance(objective.H, list) else [objective.H])):
+                dyn_type = "UNIT"
+
         if alg == "GRAPE":  # algorithm specific kwargs
             use_as_amps = True
             minimizer_kwargs.setdefault("method", "L-BFGS-B")  # gradient
@@ -243,7 +289,7 @@ def optimize_pulses(
                 "accuracy_factor": None,  # deprecated
                 "alg_params": alg_params,
                 "optim_params": algorithm_kwargs.get("optim_params", None),
-                "dyn_type": algorithm_kwargs.get("dyn_type", "GEN_MAT"),
+                "dyn_type": algorithm_kwargs.get("dyn_type", dyn_type),
                 "dyn_params": algorithm_kwargs.get("dyn_params", None),
                 "prop_type": algorithm_kwargs.get(
                     "prop_type", "DEF"
@@ -354,6 +400,12 @@ def optimize_pulses(
             qtrl_optimizers.append(qtrl_optimizer)
 
     elif alg == "RL":
+        if not _rl_available:
+            raise ImportError(
+                "The required dependencies (gymnasium, stable-baselines3) for "
+                "the reinforcement learning algorithm are not available."
+            )
+
         rl_env = _RL(
             objectives,
             control_parameters,
@@ -393,4 +445,4 @@ def optimize_pulses(
         minimizer_kwargs,
         integrator_kwargs,
         qtrl_optimizers,
-    )
+    )