Add energy logging

nifty6/minimization/iteration_controllers.py

@@ -11,10 +11,12 @@
 # You should have received a copy of the GNU General Public License
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #
-# Copyright(C) 2013-2019 Max-Planck-Society
+# Copyright(C) 2013-2020 Max-Planck-Society
 #
 # NIFTy is being developed at the Max-Planck-Institut fuer Astrophysik.
 
+import functools
+
 import numpy as np
 
 from ..logger import logger
@@ -41,6 +43,9 @@ class IterationController(metaclass=NiftyMeta):
 
     CONVERGED, CONTINUE, ERROR = list(range(3))
 
+    def __init__(self):
+        self._history = None
+
     def start(self, energy):
         """Starts the iteration.
 
@@ -69,6 +74,28 @@ class IterationController(metaclass=NiftyMeta):
         """
         raise NotImplementedError
 
+    def pop_history(self):
+        """FIXME"""
+        if self._history is None:
+            raise RuntimeError('No history was taken')
+        res = self._history
+        self._history = []
+        return res
+
+    def activate_and_reset_logging(self):
+        """FIXME"""
+        self._history = []
+
+
+def append_history(func):
+    """FIXME"""
+    @functools.wraps(func)
+    def wrapper(*args, **kwargs):
+        if args[0]._history is not None:
+            args[0]._history.append(args[1].value)
+        return func(*args, **kwargs)
+    return wrapper
+
 
 class GradientNormController(IterationController):
     """An iteration controller checking (mainly) the L2 gradient norm.
@@ -94,12 +121,14 @@ class GradientNormController(IterationController):
 
     def __init__(self, tol_abs_gradnorm=None, tol_rel_gradnorm=None,
                  convergence_level=1, iteration_limit=None, name=None):
+        super(GradientNormController, self).__init__()
         self._tol_abs_gradnorm = tol_abs_gradnorm
         self._tol_rel_gradnorm = tol_rel_gradnorm
         self._convergence_level = convergence_level
         self._iteration_limit = iteration_limit
         self._name = name
 
+    @append_history
     def start(self, energy):
         self._itcount = -1
         self._ccount = 0
@@ -108,6 +137,7 @@ class GradientNormController(IterationController):
                                        * energy.gradient_norm
         return self.check(energy)
 
+    @append_history
     def check(self, energy):
         self._itcount += 1
 
@@ -163,16 +193,19 @@ class GradInfNormController(IterationController):
 
     def __init__(self, tol, convergence_level=1, iteration_limit=None,
                  name=None):
+        super(GradInfNormController, self).__init__()
         self._tol = tol
         self._convergence_level = convergence_level
         self._iteration_limit = iteration_limit
         self._name = name
 
+    @append_history
     def start(self, energy):
         self._itcount = -1
         self._ccount = 0
         return self.check(energy)
 
+    @append_history
     def check(self, energy):
         self._itcount += 1
 
@@ -224,17 +257,20 @@ class DeltaEnergyController(IterationController):
 
     def __init__(self, tol_rel_deltaE, convergence_level=1,
                  iteration_limit=None, name=None):
+        super(DeltaEnergyController, self).__init__()
         self._tol_rel_deltaE = tol_rel_deltaE
         self._convergence_level = convergence_level
         self._iteration_limit = iteration_limit
         self._name = name
 
+    @append_history
     def start(self, energy):
         self._itcount = -1
         self._ccount = 0
         self._Eold = 0.
         return self.check(energy)
 
+    @append_history
     def check(self, energy):
         self._itcount += 1
 
@@ -290,17 +326,20 @@ class AbsDeltaEnergyController(IterationController):
 
     def __init__(self, deltaE, convergence_level=1, iteration_limit=None,
                  name=None):
+        super(AbsDeltaEnergyController, self).__init__()
         self._deltaE = deltaE
         self._convergence_level = convergence_level
         self._iteration_limit = iteration_limit
         self._name = name
 
+    @append_history
     def start(self, energy):
         self._itcount = -1
         self._ccount = 0
         self._Eold = 0.
         return self.check(energy)
 
+    @append_history
     def check(self, energy):
         self._itcount += 1