DRAFT: Fix: cache the compute ancillary params at indentation level

CHANGELOG

@@ -1,3 +1,5 @@
+4.2.3
+ - fix: cache ancillary params per Indentation curve (#27)
 4.2.2
  - ref: rewrite asserts to ValueErrors
 4.2.1

src/nanite/indent.py

@@ -32,6 +32,9 @@ def __init__(self, data, metadata, diskcache=None):
         # Curve rating (see `self.rate_quality`)
         self._rating = None
 
+        # ancillary param caching
+        self._anc_cache = None
+
     @property
     def data(self):
         warnings.warn("Please use __getitem__ instead!", DeprecationWarning)
@@ -248,6 +251,9 @@ def fit_model(self, **kwargs):
             # properties are the same.
             pass
         else:
+            # invalidate the cache
+            self._anc_cache = None
+
             fitter = IndentationFitter(self)
             # Perform fitting
             # Note: if `fitter.fp["success"]` is `False`, then
@@ -260,13 +266,22 @@ def fit_model(self, **kwargs):
 
     def get_ancillary_parameters(self, model_key=None):
         """Compute ancillary parameters for the current model"""
+        if self._anc_cache:
+            return self._anc_cache
+
         if model_key is None:
             if "model_key" in self.fit_properties:
                 model_key = self.fit_properties["model_key"]
             else:
                 model_key = FP_DEFAULT["model_key"]
-        return model.compute_anc_parms(idnt=self,
-                                       model_key=model_key)
+
+        anc = model.compute_anc_parms(idnt=self,
+                                      model_key=model_key)
+        # handle ancill cache
+        if self.fit_properties.get("success", False):
+            self._anc_cache = anc
+
+        return anc
 
     def get_initial_fit_parameters(self, model_key=None,
                                    common_ancillaries=True,

src/nanite/model/core.py

@@ -205,12 +205,8 @@ def compute_ancillaries(self, fd):
         -------
         ancillaries: collections.OrderedDict
             key-value dictionary of ancillary parameters
+
         """
-        # TODO:
-        # - ancillaries are not cached yet (some ancillaries might depend on
-        #   fitting interval or other initial parameters - take that into
-        #   account)
-        # - "max_indent" actually belongs to "common_ancillaries" (see fit.py)
         anc_ord = OrderedDict()
         # general
         for key in ANCILLARY_COMMON:

tests/test_fit_ancillary.py

@@ -8,7 +8,6 @@
 
 from common import MockModelModule
 
-
 data_path = pathlib.Path(__file__).parent / "data"
 jpkfile = data_path / "fmt-jpk-fd_spot3-0192.jpk-force"
 
@@ -22,10 +21,10 @@ def compute_ancillaries(*args, **kwargs):
         raise ValueError("Not computed")
 
     with MockModelModule(
-        compute_ancillaries=compute_ancillaries,
-        parameter_anc_keys=["J"],
-        parameter_anc_names=["ancillary J guess"],
-        parameter_anc_units=["Pa"],
+            compute_ancillaries=compute_ancillaries,
+            parameter_anc_keys=["J"],
+            parameter_anc_names=["ancillary J guess"],
+            parameter_anc_units=["Pa"],
             model_key="test2"):
         # We need to perform preprocessing first, if we want to get the
         # correct initial contact point.
@@ -45,10 +44,10 @@ def test_simple_ancillary_override():
     idnt = ds1[0]
 
     with MockModelModule(
-        compute_ancillaries=lambda x: {"E": 1580},
-        parameter_anc_keys=["E"],
-        parameter_anc_names=["ancillary E guess"],
-        parameter_anc_units=["Pa"],
+            compute_ancillaries=lambda x: {"E": 1580},
+            parameter_anc_keys=["E"],
+            parameter_anc_names=["ancillary E guess"],
+            parameter_anc_units=["Pa"],
             model_key="test1"):
         # We need to perform preprocessing first, if we want to get the
         # correct initial contact point.
@@ -71,10 +70,10 @@ def test_simple_ancillary_override_nan():
     idnt = ds1[0]
 
     with MockModelModule(
-        compute_ancillaries=lambda x: {"E": np.nan},
-        parameter_anc_keys=["E"],
-        parameter_anc_names=["ancillary E guess"],
-        parameter_anc_units=["Pa"],
+            compute_ancillaries=lambda x: {"E": np.nan},
+            parameter_anc_keys=["E"],
+            parameter_anc_names=["ancillary E guess"],
+            parameter_anc_units=["Pa"],
             model_key="test2"):
         # We need to perform preprocessing first, if we want to get the
         # correct initial contact point.
@@ -89,3 +88,48 @@ def test_simple_ancillary_override_nan():
                            1584.8876592662375,
                            atol=1,
                            rtol=0)
+
+
+def test_request_ancillary_parameters():
+    """request the ancillary parameters after fitting"""
+    ds1 = nanite.IndentationGroup(jpkfile)
+    idnt = ds1[0]
+
+    model_key = "test4"
+    with MockModelModule(
+            compute_ancillaries=lambda x: {"amazing_ancillary": 42.314},
+            parameter_anc_keys=["amazing_ancillary"],
+            parameter_anc_names=["Amazing Ancillary"],
+            parameter_anc_units=["m/s"],
+            model_key=model_key):
+        # We need to perform preprocessing first, if we want to get the
+        # correct initial contact point.
+        idnt.apply_preprocessing(["compute_tip_position"])
+        # We set the baseline fixed, because this test was written so)
+        params_initial = idnt.get_initial_fit_parameters(model_key=model_key)
+        params_initial["baseline"].set(vary=False)
+        # the old ancillary cache is invalidated just before fitting
+        idnt.fit_model(model_key=model_key,
+                       params_initial=params_initial)
+
+        # ancillary parameters are not yet requested
+        assert idnt._anc_cache is None
+
+        # actually request the ancillary parameters, as done in pyjibe
+        anc = idnt.get_ancillary_parameters(
+            model_key=model_key)
+
+        # check ancillaries
+        assert idnt._anc_cache is not None
+        assert idnt._anc_cache == anc
+        # max_indent is a common ancillary
+        assert np.allclose(anc["max_indent"], 3.669487775650337e-07,
+                           atol=1e-10, rtol=0)
+        # new ancillary for this model
+        assert np.allclose(anc["amazing_ancillary"], 42.314,
+                           atol=1, rtol=0)
+
+        # check params_initial and params_fitted
+        assert idnt.fit_properties["params_initial"]["E"].value == 3000
+        assert np.allclose(idnt.fit_properties["params_fitted"]["E"].value,
+                           1584.8876592662375, atol=1, rtol=0)