diff --git a/build-docs.sh b/build-docs.sh
new file mode 100644
index 0000000..ef08e9b
--- /dev/null
+++ b/build-docs.sh
@@ -0,0 +1 @@
+sphinx-build -M html docs/source/ docs/build/
diff --git a/docs/badges/tests-badge.svg b/docs/badges/tests-badge.svg
index c07e0b1..e3ed124 100644
--- a/docs/badges/tests-badge.svg
+++ b/docs/badges/tests-badge.svg
@@ -1 +1 @@
-
\ No newline at end of file
+
\ No newline at end of file
diff --git a/docs/source/index.rst b/docs/source/index.rst
index 4079161..ba50fc6 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -80,13 +80,13 @@ The plots will be:
The ``f.fit_df`` dataframe will look something like:
-+-------+-------+----------+-------+--------+---------+-------+-----------+
-| index | name | estimate | std | low_95 | high_95 | ... | prior_std |
-+=======+=======+==========+=======+========+=========+=======+===========+
-| ``m`` | ``m`` | 5.009 | 0.045 | 4.817 | 5.202 | ... | ``NaN`` |
-+-------+-------+----------+-------+--------+---------+-------+-----------+
-| ``b`` | ``b`` | 5.644 | 0.274 | 4.465 | 6.822 | ... | ``NaN`` |
-+-------+-------+----------+-------+--------+---------+-------+-----------+
++-------+-------+----------+-------+--------+---------+-------+-----------+--------+
+| index | name | estimate | std | low_95 | high_95 | ... | prior_std | parent |
++=======+=======+==========+=======+========+=========+=======+===========+========+
+| ``m`` | ``m`` | 5.009 | 0.045 | 4.817 | 5.202 | ... | ``NaN`` | ``NA`` |
++-------+-------+----------+-------+--------+---------+-------+-----------+--------+
+| ``b`` | ``b`` | 5.644 | 0.274 | 4.465 | 6.822 | ... | ``NaN`` | ``NA`` |
++-------+-------+----------+-------+--------+---------+-------+-----------+--------+
The ``f.fit_quality`` dataframe will look something like:
@@ -292,15 +292,15 @@ can control seven attributes of each fittable parameter. These are stored in
f.param_df
-+-------+-------+-----------+-------------+-------------+------------+-----------+
-| name | guess | fixed | lower_bound | upper_bound | prior_mean | prior_std |
-+=======+=======+===========+=============+=============+============+===========+
-| ``a`` | 0.0 | ``False`` | ``-inf`` | ``inf`` | ``NaN`` | ``NaN`` |
-+-------+-------+-----------+-------------+-------------+------------+-----------+
-| ``b`` | 2.0 | ``False`` | ``-inf`` | ``inf`` | ``NaN`` | ``NaN`` |
-+-------+-------+-----------+-------------+-------------+------------+-----------+
-| ``c`` | 3.0 | ``False`` | ``-inf`` | ``inf`` | ``NaN`` | ``NaN`` |
-+-------+-------+-----------+-------------+-------------+------------+-----------+
++-------+-------+-----------+-------------+-------------+------------+-----------+--------+
+| name | guess | fixed | lower_bound | upper_bound | prior_mean | prior_std | parent |
++=======+=======+===========+=============+=============+============+===========+========+
+| ``a`` | 0.0 | ``False`` | ``-inf`` | ``inf`` | ``NaN`` | ``NaN`` | ``NA`` |
++-------+-------+-----------+-------------+-------------+------------+-----------+--------+
+| ``b`` | 2.0 | ``False`` | ``-inf`` | ``inf`` | ``NaN`` | ``NaN`` | ``NA`` |
++-------+-------+-----------+-------------+-------------+------------+-----------+--------+
+| ``c`` | 3.0 | ``False`` | ``-inf`` | ``inf`` | ``NaN`` | ``NaN`` | ``NA`` |
++-------+-------+-----------+-------------+-------------+------------+-----------+--------+
The ``f.param_df`` dataframe can be accessed and edited using standard
`pandas DataFrame `_ commands. The ``name`` column is set
@@ -363,6 +363,12 @@ The full rules for the parameter dataframe are:
+-----------------+---------------------------------------------------------+
| ``prior_std`` | single float value; ``np.nan`` allowed (see note) |
+-----------------+---------------------------------------------------------+
+| ``parent`` | string name of a parameter. If this is specified, it |
+| | tells the fitter to forces the parameter and its parent |
+| | to have the same value during the analysis. This lowers |
+| | the number of floating parameters by one. To remove a |
+| | link, set this value to ``pd.NA`` or ``None``. |
++-----------------+---------------------------------------------------------+
.. note::
@@ -378,7 +384,7 @@ The full rules for the parameter dataframe are:
``prior_mean`` and ``prior_std`` to ``np.nan``.
-----------------------------
-4. Set non-fittable arguments
+1. Set non-fittable arguments
-----------------------------
One can specify arguments to the function that should not be used as fit
@@ -594,13 +600,13 @@ Parameter values (fit_df)
One accesses the parameter estimates via the ``f.fit_df`` pandas dataframe. The
``fit_df`` output from the `Simple example`_ above is:
-+-------+-------+----------+-------+--------+---------+-------+-----------+
-| index | name | estimate | std | low_95 | high_95 | ... | prior_std |
-+=======+=======+==========+=======+========+=========+=======+===========+
-| ``m`` | ``m`` | 5.009 | 0.045 | 4.817 | 5.202 | ... | ``NaN`` |
-+-------+-------+----------+-------+--------+---------+-------+-----------+
-| ``b`` | ``b`` | 5.644 | 0.274 | 4.465 | 6.822 | ... | ``NaN`` |
-+-------+-------+----------+-------+--------+---------+-------+-----------+
++-------+-------+----------+-------+--------+---------+-------+----------+
+| index | name | estimate | std | low_95 | high_95 | ... | parent |
++=======+=======+==========+=======+========+=========+=======+==========+
+| ``m`` | ``m`` | 5.009 | 0.045 | 4.817 | 5.202 | ... | ``NA`` |
++-------+-------+----------+-------+--------+---------+-------+----------+
+| ``b`` | ``b`` | 5.644 | 0.274 | 4.465 | 6.822 | ... | ``NA`` |
++-------+-------+----------+-------+--------+---------+-------+----------+
All three methods (ml, bootstrap, and mcmc) will have identical columns. These
columns report similar, but not identical, features of each parameter for each
diff --git a/reports/flake.txt b/reports/flake.txt
index d1ec81e..4507098 100644
--- a/reports/flake.txt
+++ b/reports/flake.txt
@@ -26,7 +26,6 @@
./build/lib/dataprob/fitters/base.py:119:21: W291 trailing whitespace
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./build/lib/dataprob/fitters/base.py:149:77: W291 trailing whitespace
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@@ -96,42 +95,65 @@
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-./build/lib/dataprob/fitters/base.py:547:41: E231 missing whitespace after ','
-./build/lib/dataprob/fitters/base.py:549:5: C901 'Fitter.append_samples' is too complex (12)
-./build/lib/dataprob/fitters/base.py:549:28: E231 missing whitespace after ','
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@@ -331,37 +353,24 @@
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@@ -441,49 +437,37 @@
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./build/lib/dataprob/fitters/ml.py:81:24: E231 missing whitespace after ','
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@@ -526,17 +510,18 @@
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./build/lib/dataprob/model_wrapper/_dataframe_processing.py:53:43: E231 missing whitespace after ','
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./build/lib/dataprob/model_wrapper/_dataframe_processing.py:57:1: E302 expected 2 blank lines, found 1
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./build/lib/dataprob/model_wrapper/vector_model_wrapper.py:17:1: E302 expected 2 blank lines, found 1
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@@ -772,26 +806,30 @@
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@@ -1385,42 +1422,65 @@
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./src/dataprob/fitters/base.py:465:34: E231 missing whitespace after ':'
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-./src/dataprob/fitters/base.py:547:41: E231 missing whitespace after ','
-./src/dataprob/fitters/base.py:549:5: C901 'Fitter.append_samples' is too complex (12)
-./src/dataprob/fitters/base.py:549:28: E231 missing whitespace after ','
-./src/dataprob/fitters/base.py:549:45: E231 missing whitespace after ','
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+./src/dataprob/fitters/base.py:583:41: E231 missing whitespace after ','
+./src/dataprob/fitters/base.py:585:5: C901 'Fitter.append_samples' is too complex (12)
+./src/dataprob/fitters/base.py:585:28: E231 missing whitespace after ','
+./src/dataprob/fitters/base.py:585:45: E231 missing whitespace after ','
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./src/dataprob/fitters/bayesian/__init__.py:3:4: W292 no newline at end of file
./src/dataprob/fitters/bayesian/_prior_processing.py:9:1: E302 expected 2 blank lines, found 1
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@@ -1620,37 +1680,24 @@
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-./src/dataprob/fitters/bayesian/bayesian_sampler.py:516:9: E303 too many blank lines (2)
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./src/dataprob/fitters/bootstrap.py:15:1: E302 expected 2 blank lines, found 1
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./src/dataprob/fitters/bootstrap.py:27:56: W291 trailing whitespace
@@ -1694,25 +1741,12 @@
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./src/dataprob/fitters/bootstrap.py:168:23: W291 trailing whitespace
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./src/dataprob/fitters/setup.py:15:32: W291 trailing whitespace
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@@ -1815,17 +1837,18 @@
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./src/dataprob/model_wrapper/_dataframe_processing.py:57:1: E302 expected 2 blank lines, found 1
./src/dataprob/model_wrapper/_dataframe_processing.py:57:28: E231 missing whitespace after ','
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./src/dataprob/model_wrapper/_dataframe_processing.py:373:1: W293 blank line contains whitespace
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+./src/dataprob/model_wrapper/_dataframe_processing.py:389:1: C901 'param_into_existing' is too complex (12)
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+./src/dataprob/model_wrapper/vector_model_wrapper.py:239:60: W291 trailing whitespace
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./src/dataprob/model_wrapper/wrap_function.py:3:26: W291 trailing whitespace
./src/dataprob/model_wrapper/wrap_function.py:14:1: E302 expected 2 blank lines, found 1
./src/dataprob/model_wrapper/wrap_function.py:19:57: W291 trailing whitespace
@@ -3697,7 +3773,7 @@
./tests/dataprob/fitters/test_base.py:542:23: E231 missing whitespace after ','
./tests/dataprob/fitters/test_base.py:547:41: E231 missing whitespace after ':'
./tests/dataprob/fitters/test_base.py:547:44: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:548:39: E231 missing whitespace after ','
+./tests/dataprob/fitters/test_base.py:548:40: E231 missing whitespace after ','
./tests/dataprob/fitters/test_base.py:554:42: E231 missing whitespace after ','
./tests/dataprob/fitters/test_base.py:555:42: E231 missing whitespace after ','
./tests/dataprob/fitters/test_base.py:556:43: E231 missing whitespace after ','
@@ -3758,193 +3834,266 @@
./tests/dataprob/fitters/test_base.py:646:38: E231 missing whitespace after ','
./tests/dataprob/fitters/test_base.py:647:35: E231 missing whitespace after ':'
./tests/dataprob/fitters/test_base.py:647:38: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:661:41: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:662:37: E231 missing whitespace after ':'
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-./tests/dataprob/fitters/test_base.py:663:52: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:665:42: E231 missing whitespace after ':'
-./tests/dataprob/fitters/test_base.py:665:45: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:666:41: E231 missing whitespace after ':'
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-./tests/dataprob/fitters/test_base.py:670:46: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:678:28: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:680:45: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:696:5: F841 local variable 'y_obs' is assigned to but never used
-./tests/dataprob/fitters/test_base.py:697:1: W293 blank line contains whitespace
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-./tests/dataprob/fitters/test_base.py:702:43: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:704:45: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:704:51: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:704:60: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:705:43: E231 missing whitespace after ','
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+./tests/dataprob/fitters/test_base.py:657:36: E231 missing whitespace after ':'
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+./tests/dataprob/fitters/test_base.py:658:41: E231 missing whitespace after ','
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./tests/dataprob/fitters/test_base.py:705:57: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:765:45: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:766:44: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:766:61: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:772:41: E231 missing whitespace after ':'
-./tests/dataprob/fitters/test_base.py:772:45: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:776:38: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:779:45: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:781:46: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:803:65: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:803:74: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:811:45: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:836:12: E714 test for object identity should be 'is not'
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-./tests/dataprob/fitters/test_base.py:855:1: E302 expected 2 blank lines, found 1
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./tests/dataprob/fitters/test_base.py:866:29: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:919:47: E231 missing whitespace after ','
-./tests/dataprob/fitters/test_base.py:930:35: E231 missing whitespace after ','
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-./tests/dataprob/fitters/test_base.py:932:39: E231 missing whitespace after ','
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./tests/dataprob/fitters/test_bootstrap.py:5:1: F401 'dataprob.model_wrapper.model_wrapper.ModelWrapper' imported but unused
./tests/dataprob/fitters/test_bootstrap.py:13:19: E231 missing whitespace after ','
./tests/dataprob/fitters/test_bootstrap.py:21:19: E231 missing whitespace after ','
@@ -4332,353 +4481,412 @@
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./tests/dataprob/model_wrapper/test__dataframe_processing.py:152:30: E231 missing whitespace after ':'
./tests/dataprob/model_wrapper/test__dataframe_processing.py:152:35: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test__dataframe_processing.py:153:31: E231 missing whitespace after ':'
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./tests/dataprob/model_wrapper/test__dataframe_processing.py:186:38: E231 missing whitespace after ':'
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./tests/dataprob/model_wrapper/test__dataframe_processing.py:187:38: E231 missing whitespace after ':'
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./tests/dataprob/model_wrapper/test__dataframe_processing.py:193:38: E231 missing whitespace after ':'
./tests/dataprob/model_wrapper/test__dataframe_processing.py:194:38: E231 missing whitespace after ':'
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./tests/dataprob/model_wrapper/test__dataframe_processing.py:254:28: E231 missing whitespace after ','
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./tests/dataprob/model_wrapper/test__dataframe_processing.py:283:31: E231 missing whitespace after ','
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./tests/dataprob/model_wrapper/test__function_processing.py:12:1: C901 'test_analyze_fcn_sig' is too complex (12)
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@@ -4903,319 +5111,458 @@
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+./tests/dataprob/model_wrapper/test_model_wrapper.py:697:41: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:697:48: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:697:53: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:700:31: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:700:35: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:700:39: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:700:48: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:702:8: E275 missing whitespace after keyword
+./tests/dataprob/model_wrapper/test_model_wrapper.py:708:31: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:708:35: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:708:39: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:708:48: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:710:49: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:713:35: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:713:39: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:720:31: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:720:35: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:720:39: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:720:48: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:722:8: E275 missing whitespace after keyword
+./tests/dataprob/model_wrapper/test_model_wrapper.py:728:31: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:728:35: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:728:44: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_model_wrapper.py:740:49: E231 missing whitespace after ':'
+./tests/dataprob/model_wrapper/test_model_wrapper.py:744:1: W293 blank line contains whitespace
+./tests/dataprob/model_wrapper/test_model_wrapper.py:745:1: W293 blank line contains whitespace
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:8:1: E302 expected 2 blank lines, found 1
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:11:28: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:11:30: E231 missing whitespace after ','
@@ -5318,21 +5665,21 @@
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:175:50: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:175:55: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:176:32: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:177:43: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:177:49: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:177:44: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:177:50: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:181:1: W293 blank line contains whitespace
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:183:24: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:184:24: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:186:50: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:186:55: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:187:32: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:188:43: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:188:49: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:188:44: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:188:50: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:197:50: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:197:55: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:198:32: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:199:43: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:199:50: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:199:44: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:199:51: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:205:24: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:206:37: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:206:42: E231 missing whitespace after ','
@@ -5357,49 +5704,58 @@
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:230:35: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:230:37: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:232:6: E114 indentation is not a multiple of 4 (comment)
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:236:17: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:239:25: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:239:27: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:242:17: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:249:24: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:253:39: W291 trailing whitespace
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:254:24: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:255:24: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:256:32: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:256:34: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:264:24: E231 missing whitespace after ','
-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:268:23: E231 missing whitespace after ','
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-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:273:67: W291 trailing whitespace
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-./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:281:19: E231 missing whitespace after ','
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+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:283:1: E303 too many blank lines (3)
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:286:19: E231 missing whitespace after ','
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+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:288:67: W291 trailing whitespace
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:289:1: W293 blank line contains whitespace
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:291:29: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:291:32: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:293:35: W291 trailing whitespace
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:295:23: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:295:25: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:296:37: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:296:39: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:299:24: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:300:24: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:302:38: W291 trailing whitespace
./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:303:37: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:303:39: E231 missing whitespace after ','
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:304:1: W293 blank line contains whitespace
+./tests/dataprob/model_wrapper/test_vector_model_wrapper.py:308:37: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_wrap_function.py:13:1: E302 expected 2 blank lines, found 1
./tests/dataprob/model_wrapper/test_wrap_function.py:21:29: E231 missing whitespace after ','
./tests/dataprob/model_wrapper/test_wrap_function.py:21:33: E231 missing whitespace after ','
@@ -6085,6 +6441,82 @@
./tests/dataprob/test_integration/test_linear.py:72:33: E231 missing whitespace after ','
./tests/dataprob/test_integration/test_linear.py:74:33: E231 missing whitespace after ','
./tests/dataprob/test_integration/test_linear.py:76:1: E302 expected 2 blank lines, found 1
+./tests/dataprob/test_integration/test_linking.py:6:1: E302 expected 2 blank lines, found 1
+./tests/dataprob/test_integration/test_linking.py:6:26: E231 missing whitespace after ','
+./tests/dataprob/test_integration/test_linking.py:6:31: E231 missing whitespace after ','
+./tests/dataprob/test_integration/test_linking.py:10:1: E302 expected 2 blank lines, found 1
+./tests/dataprob/test_integration/test_linking.py:10:32: E231 missing whitespace after ','
+./tests/dataprob/test_integration/test_linking.py:17:20: E231 missing whitespace after ','
+./tests/dataprob/test_integration/test_linking.py:18:16: W291 trailing whitespace
+./tests/dataprob/test_integration/test_linking.py:24:43: E231 missing whitespace after ':'
+./tests/dataprob/test_integration/test_linking.py:29:13: E128 continuation line under-indented for visual indent
+./tests/dataprob/test_integration/test_linking.py:30:1: W293 blank line contains whitespace
+./tests/dataprob/test_integration/test_linking.py:34:43: E231 missing whitespace after ':'
+./tests/dataprob/test_integration/test_linking.py:35:24: E231 missing whitespace after ','
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+./tests/dataprob/test_integration/test_linking.py:40:1: W293 blank line contains whitespace
+./tests/dataprob/test_integration/test_linking.py:41:40: E231 missing whitespace after ','
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+./tests/dataprob/test_integration/test_linking.py:63:16: W291 trailing whitespace
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+./tests/dataprob/test_integration/test_linking.py:114:5: W292 no newline at end of file
./tests/dataprob/test_integration/test_michelis-menten.py:2:62: W291 trailing whitespace
./tests/dataprob/test_integration/test_michelis-menten.py:12:1: E302 expected 2 blank lines, found 1
./tests/dataprob/test_integration/test_michelis-menten.py:12:22: E231 missing whitespace after ','
@@ -6909,20 +7341,21 @@
2 E114 indentation is not a multiple of 4 (comment)
2 E117 over-indented
2 E122 continuation line missing indentation or outdented
-58 E127 continuation line over-indented for visual indent
-68 E128 continuation line under-indented for visual indent
+60 E127 continuation line over-indented for visual indent
+72 E128 continuation line under-indented for visual indent
2 E201 whitespace after '['
1 E203 whitespace before ','
28 E222 multiple spaces after operator
5 E225 missing whitespace around operator
-4269 E231 missing whitespace after ','
+4599 E231 missing whitespace after ','
18 E261 at least two spaces before inline comment
5 E262 inline comment should start with '# '
4 E265 block comment should start with '# '
1 E266 too many leading '#' for block comment
-208 E302 expected 2 blank lines, found 1
-107 E303 too many blank lines (2)
-8 E306 expected 1 blank line before a nested definition, found 0
+4 E275 missing whitespace after keyword
+211 E302 expected 2 blank lines, found 1
+128 E303 too many blank lines (2)
+9 E306 expected 1 blank line before a nested definition, found 0
2 E501 line too long (159 > 127 characters)
4 E701 multiple statements on one line (colon)
1 E702 multiple statements on one line (semicolon)
@@ -6932,8 +7365,8 @@
14 F401 '.fitters.setup.setup' imported but unused
20 F541 f-string is missing placeholders
5 F841 local variable 'e' is assigned to but never used
-969 W291 trailing whitespace
-50 W292 no newline at end of file
-1014 W293 blank line contains whitespace
+979 W291 trailing whitespace
+51 W292 no newline at end of file
+1070 W293 blank line contains whitespace
10 W391 blank line at end of file
-6906
+7338
diff --git a/reports/junit/junit.xml b/reports/junit/junit.xml
index 505a8f9..4e41097 100644
--- a/reports/junit/junit.xml
+++ b/reports/junit/junit.xml
@@ -1 +1 @@
-
\ No newline at end of file
+
\ No newline at end of file
diff --git a/src/dataprob/__version__.py b/src/dataprob/__version__.py
index 67e4e1e..83f59e4 100644
--- a/src/dataprob/__version__.py
+++ b/src/dataprob/__version__.py
@@ -2,6 +2,6 @@
Version string.
"""
-VERSION = (0, 9, 4)
+VERSION = (0, 9, 5)
__version__ = '.'.join(map(str, VERSION))
diff --git a/src/dataprob/fitters/base.py b/src/dataprob/fitters/base.py
index 7c57009..ebb3981 100644
--- a/src/dataprob/fitters/base.py
+++ b/src/dataprob/fitters/base.py
@@ -134,7 +134,7 @@ def _process_obs_args(self,
else:
pass
-
+
def fit(self,
y_obs=None,
y_std=None,
@@ -375,7 +375,7 @@ def data_df(self):
if self.success:
- keep_mask = self._model.unfixed_mask
+ keep_mask = self._model.floating_mask
estimate = np.array(self.fit_df.loc[keep_mask,"estimate"],
dtype=float).copy()
@@ -474,16 +474,52 @@ def _initialize_fit_df(self):
df["upper_bound"] = self.param_df["upper_bound"]
df["prior_mean"] = self.param_df["prior_mean"]
df["prior_std"] = self.param_df["prior_std"]
+ df["parent"] = self.param_df["parent"]
self._fit_df = df
+ def _get_fit_values(self):
+ """
+ """
+
+ raise NotImplementedError("Should be implemented in subclass")
+
+
def _update_fit_df(self):
"""
- Should be redefined in subclass. This function should update
- self._fit_df.
+ Update the fit dataframe with the fit results.
"""
+
+ estimate, std, low_95, high_95 = self._get_fit_values()
+
+ # Get finalized parameters from param_df in case they were updated
+ # after the model was set and the fit_df created.
+ for col in ["guess","fixed","lower_bound","upper_bound","prior_mean",
+ "prior_std","parent"]:
+ self._fit_df[col] = self.param_df[col]
+
+ # Copy floating (fit) parameters in
+ floating_mask = self._model.floating_mask
+ self._fit_df.loc[floating_mask,"estimate"] = estimate
+ self._fit_df.loc[floating_mask,"std"] = std
+ self._fit_df.loc[floating_mask,"low_95"] = low_95
+ self._fit_df.loc[floating_mask,"high_95"] = high_95
+
+ # Copy linked parameter values over
+ if len(self._model.linked_param_dict) > 0:
+
+ map_to = list(self._model.linked_param_dict.keys())
+ map_from = list(self._model.linked_param_dict.values())
+ columns = ["estimate","std","low_95","high_95"]
+
+ new_values = np.array(self._fit_df.loc[map_from,columns],
+ dtype=float)
+ self._fit_df.loc[map_to,columns] = new_values
+
+ # Copy fixed values in (just guess; rest nan)
+ fixed_mask = self._model.fixed_mask
+ self._fit_df.loc[fixed_mask,"estimate"] = self._fit_df.loc[fixed_mask,"guess"]
- raise NotImplementedError("should be implemented in subclass\n")
@property
def fit_df(self):
@@ -501,7 +537,7 @@ def fit_quality(self):
if not self.success:
return None
- estimate = np.array(self.fit_df.loc[self._model.unfixed_mask,
+ estimate = np.array(self.fit_df.loc[self._model.floating_mask,
"estimate"],dtype=float).copy()
out_df = get_fit_quality(residuals=self._weighted_residuals(estimate),
@@ -678,7 +714,7 @@ def num_params(self):
"""
self._model.finalize_params()
- return np.sum(self._model.unfixed_mask)
+ return np.sum(self._model.floating_mask)
@property
def num_obs(self):
diff --git a/src/dataprob/fitters/bayesian/bayesian_sampler.py b/src/dataprob/fitters/bayesian/bayesian_sampler.py
index 925bd42..511bf0f 100644
--- a/src/dataprob/fitters/bayesian/bayesian_sampler.py
+++ b/src/dataprob/fitters/bayesian/bayesian_sampler.py
@@ -105,7 +105,7 @@ def _setup_priors(self):
# Grab lower and upper bounds. We pull them out of the dataframe so we
# can use in prior calculations without any dictionary lookups.
- unfixed = self._model.unfixed_mask
+ unfixed = self._model.floating_mask
self._lower_bounds = np.array(self.param_df.loc[unfixed,"lower_bound"],
dtype=float).copy()
self._upper_bounds = np.array(self.param_df.loc[unfixed,"upper_bound"],
@@ -447,7 +447,7 @@ def _fit(self,**kwargs):
self._update_fit_df()
- def _update_fit_df(self):
+ def _get_fit_values(self):
"""
Update samples based on the samples array.
"""
@@ -473,20 +473,7 @@ def _update_fit_df(self):
low_95.append(sorted_samples[lower])
high_95.append(sorted_samples[upper])
- # Get finalized parameters from param_df in case they were updated
- # after the model was set and the fit_df created.
- for col in ["guess","fixed","lower_bound","upper_bound","prior_mean",
- "prior_std"]:
- self._fit_df[col] = self.param_df[col]
-
- fixed = np.array(self._fit_df["fixed"],dtype=bool).copy()
- unfixed = np.logical_not(fixed)
-
- self._fit_df.loc[unfixed,"estimate"] = estimate
- self._fit_df.loc[fixed,"estimate"] = self._fit_df.loc[fixed,"guess"]
- self._fit_df.loc[unfixed,"std"] = std
- self._fit_df.loc[unfixed,"low_95"] = low_95
- self._fit_df.loc[unfixed,"high_95"] = high_95
+ return estimate, std, low_95, high_95
@property
diff --git a/src/dataprob/fitters/bootstrap.py b/src/dataprob/fitters/bootstrap.py
index e04c647..7bde0fb 100644
--- a/src/dataprob/fitters/bootstrap.py
+++ b/src/dataprob/fitters/bootstrap.py
@@ -63,7 +63,7 @@ def _fit(self,**kwargs):
"""
# Grab un-fixed guesses and bounds
- to_fit = self._model.unfixed_mask
+ to_fit = self._model.floating_mask
guesses = np.array(self._model.param_df.loc[to_fit,"guess"]).copy()
bounds = np.array([self._model.param_df.loc[to_fit,"lower_bound"],
self._model.param_df.loc[to_fit,"upper_bound"]]).copy()
@@ -142,7 +142,7 @@ def fn(*args): return -self._unweighted_residuals(*args)
if self._success:
self._update_fit_df()
- def _update_fit_df(self):
+ def _get_fit_values(self):
"""
Recalculate the parameter estimates from any new samples.
"""
@@ -176,20 +176,7 @@ def _update_fit_df(self):
low_95.append(sorted_samples[lower])
high_95.append(sorted_samples[upper])
- # Get finalized parameters from param_df in case they were updated
- # after the model was set and the fit_df created.
- for col in ["guess","fixed","lower_bound","upper_bound","prior_mean",
- "prior_std"]:
- self._fit_df[col] = self.param_df[col]
-
- fixed = np.array(self._fit_df["fixed"],dtype=bool).copy()
- unfixed = np.logical_not(fixed)
-
- self._fit_df.loc[unfixed,"estimate"] = estimate
- self._fit_df.loc[fixed,"estimate"] = self._fit_df.loc[fixed,"guess"]
- self._fit_df.loc[unfixed,"std"] = std
- self._fit_df.loc[unfixed,"low_95"] = low_95
- self._fit_df.loc[unfixed,"high_95"] = high_95
+ return estimate, std, low_95, high_95
@property
diff --git a/src/dataprob/fitters/ml.py b/src/dataprob/fitters/ml.py
index 2ad71cc..de62138 100644
--- a/src/dataprob/fitters/ml.py
+++ b/src/dataprob/fitters/ml.py
@@ -64,7 +64,7 @@ def _fit(self,**kwargs):
scipy.optimize.least_squares
"""
- to_fit = self._model.unfixed_mask
+ to_fit = self._model.floating_mask
guesses = np.array(self._model.param_df.loc[to_fit,"guess"]).copy()
bounds = np.array([self._model.param_df.loc[to_fit,"lower_bound"],
self._model.param_df.loc[to_fit,"upper_bound"]]).copy()
@@ -83,7 +83,8 @@ def fn(*args): return -self._weighted_residuals(*args)
self._update_fit_df()
- def _update_fit_df(self):
+
+ def _get_fit_values(self):
"""
Recalculate the parameter estimates from any new samples.
"""
@@ -119,20 +120,7 @@ def _update_fit_df(self):
low_95 = np.nan*np.ones(len(estimate),dtype=float)
high_95 = np.nan*np.ones(len(estimate),dtype=float)
- # Get finalized parameters from param_df in case they were updated
- # after the model was set and the fit_df created.
- for col in ["guess","fixed","lower_bound","upper_bound","prior_mean",
- "prior_std"]:
- self._fit_df[col] = self.param_df[col]
-
- fixed = np.array(self._fit_df["fixed"],dtype=bool).copy()
- unfixed = np.logical_not(fixed)
-
- self._fit_df.loc[unfixed,"estimate"] = estimate
- self._fit_df.loc[fixed,"estimate"] = self._fit_df.loc[fixed,"guess"]
- self._fit_df.loc[unfixed,"std"] = std
- self._fit_df.loc[unfixed,"low_95"] = low_95
- self._fit_df.loc[unfixed,"high_95"] = high_95
+ return estimate, std, low_95, high_95
@property
diff --git a/src/dataprob/fitters/setup.py b/src/dataprob/fitters/setup.py
index 31da228..b1a9fb9 100644
--- a/src/dataprob/fitters/setup.py
+++ b/src/dataprob/fitters/setup.py
@@ -167,6 +167,9 @@ def linear_model(m,b,x): return m*x + b
+---------------+-----------------------------------------------------+
| 'prior_std' | single float value; np.nan allowed (see below) |
+---------------+-----------------------------------------------------+
+ | 'parent' | string parameter name pointing to the parameter to |
+ | | link this parameter to. |
+ +---------------+-----------------------------------------------------+
Gaussian priors are specified using the 'prior_mean' and 'prior_std'
fields, declaring the prior mean and standard deviation. If both are
diff --git a/src/dataprob/model_wrapper/_dataframe_processing.py b/src/dataprob/model_wrapper/_dataframe_processing.py
index 97ff7c5..911fdc6 100644
--- a/src/dataprob/model_wrapper/_dataframe_processing.py
+++ b/src/dataprob/model_wrapper/_dataframe_processing.py
@@ -74,6 +74,8 @@ def _build_columns(param_df,default_guess):
param_df["prior_mean"] = np.nan
if "prior_std" not in param_df.columns:
param_df["prior_std"] = np.nan
+ if "parent" not in param_df.columns:
+ param_df["parent"] = pd.NA
# ----------------------------------------------------------------------
# Coerce column types
@@ -103,6 +105,18 @@ def _build_columns(param_df,default_guess):
except Exception as e:
err = f"Could not coerce all entries in the '{bc}' column to bool\n"
raise ValueError(err) from e
+
+ str_columns = ["parent"]
+ for sc in str_columns:
+
+ param_df[sc] = param_df[sc].astype(str)
+
+ na_mask = param_df[sc] == ""
+ param_df.loc[na_mask,"parent"] = pd.NA
+
+ nan_mask = param_df[sc] == "nan"
+ param_df.loc[nan_mask,"parent"] = pd.NA
+
return param_df
@@ -223,6 +237,73 @@ def _check_priors(param_df):
return param_df
+def _check_and_update_parent(param_df):
+
+ # Force nan and strings into pd.NA
+ na_mask = param_df["parent"] == ""
+ param_df.loc[na_mask,"parent"] = pd.NA
+
+ nan_mask = param_df["parent"] == "nan"
+ param_df.loc[nan_mask,"parent"] = pd.NA
+
+ nan_mask = param_df["parent"] == "None"
+ param_df.loc[nan_mask,"parent"] = pd.NA
+
+ # Remove self parents. For example, if the parameter is named "K" and the
+ # parent is set to "K", the parameter parent is set to self. This allows us
+ # to make sure at least one parameter is not linked.
+ parent_is_self = param_df.loc[:,"parent"] == param_df.loc[:,"name"]
+ param_df.loc[parent_is_self,"parent"] = pd.NA
+
+ # No parents defined, return.
+ defined_mask = np.logical_not(pd.isna(param_df["parent"]))
+ if np.sum(defined_mask) == 0:
+ return param_df
+
+ # Make sure that the names in "parent" are all in the parameters list
+ allowed_names = set(param_df["name"])
+ defined_parents = set(param_df.loc[defined_mask,"parent"])
+ if not defined_parents.issubset(allowed_names):
+
+ bad_parents = defined_parents - allowed_names
+ err = "\nall parent entries must correspond to parameters in the 'name'\n"
+ err += "column.\n"
+
+ err += "\nBad parent entries are:"
+ err += f"\n{repr(bad_parents)}\n\n"
+
+ raise ValueError(err)
+
+ # Make sure that there are no double-nested parameters. This also makes sure
+ # there is at least one non-parent, as there is no way to get all defined
+ # with parents without a double-nest.
+ has_a_parent = set(param_df.loc[defined_mask,"name"])
+ is_a_parent = set(param_df["name"][param_df["name"].isin(param_df["parent"])])
+ has_and_is_a_parent = has_a_parent.intersection(is_a_parent)
+
+ if len(has_and_is_a_parent):
+ err = "\nparameters cannot be a parent themselves and be referenced\n"
+ err += "as a parent of another parameter.\n"
+
+ err += "\nBad parameters are:"
+ err += f"\n{repr(has_and_is_a_parent)}\n\n"
+
+ raise ValueError(err)
+
+ columns_to_copy = list(param_df.columns)
+ columns_to_copy.remove("name")
+ columns_to_copy.remove("parent")
+
+ # Copy values from the parent into the
+ for idx in param_df.index:
+ parent = param_df.loc[idx,"parent"]
+ if not pd.isna(parent):
+ row = np.array(param_df.loc[param_df["name"] == parent,columns_to_copy])[0]
+ param_df.loc[idx,columns_to_copy] = row
+
+ return param_df
+
+
def _df_to_dict(df):
"""
Convert a dataframe into a nested dictionary (out_dict[name][column]). This
@@ -299,6 +380,8 @@ def validate_dataframe(param_df,
param_df = _check_priors(param_df=param_df)
+ param_df = _check_and_update_parent(param_df=param_df)
+
return param_df
diff --git a/src/dataprob/model_wrapper/model_wrapper.py b/src/dataprob/model_wrapper/model_wrapper.py
index 0cdf321..d5ed1fb 100644
--- a/src/dataprob/model_wrapper/model_wrapper.py
+++ b/src/dataprob/model_wrapper/model_wrapper.py
@@ -25,13 +25,6 @@ class ModelWrapper:
specifying 'fit_parameters'.
"""
- # Attributes to hold the fit parameters and other arguments to pass
- # to the model. These have to be defined across class because we are going
- # to hijack __getattr__ and __setattr__ and need to look inside this as soon
- # as we start setting attributes.
- _param_df = pd.DataFrame({"name":[]})
- _non_fit_kwargs = {}
-
def __init__(self,
model_to_fit,
fit_parameters=None,
@@ -72,9 +65,7 @@ def __init__(self,
self._default_guess = check_float(value=default_guess,
variable_name="default_guess")
- # Re-define these here so __setattr__ and __getattr__ end up looking at
- # instance-level (__dict__) attributes rather than class-level
- # attributes.
+
self._param_df = pd.DataFrame({"name":[]})
self._non_fit_kwargs = {}
@@ -83,6 +74,7 @@ def __init__(self,
non_fit_kwargs=non_fit_kwargs)
+
def _load_model(self,model_to_fit,fit_parameters,non_fit_kwargs):
"""
Load a model into the wrapper. Fittable arguments are put into param_df.
@@ -174,7 +166,7 @@ def _load_model(self,model_to_fit,fit_parameters,non_fit_kwargs):
# make sure the user does not add or remove a key with the setter.
self._non_fit_kwargs_keys = set(self._non_fit_kwargs_keys)
- # Finalize -- read to run the model
+ # Finalize -- ready to run the model
self.finalize_params()
def _validate_non_fit_kwargs(self):
@@ -203,6 +195,29 @@ def _validate_non_fit_kwargs(self):
raise ValueError(err)
+ def _update_special_params(self):
+ """
+ Deal with fixed and linked parameters.
+ """
+
+ # look for linked parameters
+ self._linked_mask = np.logical_not(pd.isna(self._param_df.loc[:,"parent"]))
+ if np.sum(self._linked_mask) > 0:
+ param_names = list(self._param_df.loc[self._linked_mask,"name"])
+ param_links = list(self._param_df.loc[self._linked_mask,"parent"])
+ self._linked_param_dict = dict(zip(param_names,param_links))
+ else:
+ self._linked_param_dict = {}
+
+ self._fixed_mask = np.array(self._param_df.loc[:,"fixed"],dtype=bool)
+
+ # Get currently un-fixed parameters (fixed or linked count as fixed)
+ self._floating_mask = np.logical_and(np.logical_not(self._fixed_mask),
+ np.logical_not(self._linked_mask))
+ self._floating_mask = np.array(self._floating_mask,dtype=bool)
+ self._floating_param_names = np.array(self._param_df.loc[self._floating_mask,"name"]).copy()
+ self._num_floating = len(self._floating_param_names)
+
def finalize_params(self):
"""
@@ -216,10 +231,9 @@ def finalize_params(self):
self._param_df = validate_dataframe(param_df=self._param_df,
param_in_order=self._fit_params_in_order,
default_guess=self._default_guess)
-
- # Get currently un-fixed parameters
- self._unfixed_mask = np.logical_not(self._param_df.loc[:,"fixed"])
- self._unfixed_param_names = np.array(self._param_df.loc[self._unfixed_mask,"name"]).copy()
+ self._num_fittable = len(self._param_df)
+
+ self._update_special_params()
# Build a dictionary of keyword arguments to pass to the model when
# called.
@@ -276,10 +290,9 @@ def update_params(self,param_input):
def model(self,params=None):
"""
Model observable. This function takes a numpy array either the number of
- unfixed parameters long OR the total number of parameters long. If
- parameters are fixed, their values in a params array with all fit
- parameters are *ignored* and the fixed parameter guesses are used
- instead.
+ unfixed and unlinked parameters long OR the total number of parameters
+ long. If params is as long as the total number of parameters, these
+ override
Parameters
----------
@@ -292,42 +305,51 @@ def model(self,params=None):
# user has fixed value or made a change that has not propagated properly
self.finalize_params()
- # Create all param vector
- all_params = np.array(self._param_df["guess"],dtype=float).copy()
-
- # no parameters specified, get all guesses
if params is None:
- params = all_params
+ params = np.array(self._param_df.loc[self._floating_mask,"guess"]).copy()
# make sure the params array is a float array
params = np.array(params,dtype=float)
- # If this is as long as all_fit parameters, pull out only the fit
- # parameters we care about.
- if len(params) == len(all_params):
- params = params[self._unfixed_mask]
-
- if len(params) != np.sum(self._unfixed_mask):
- err = f"params length ({len(params)}) must either correspond to\n"
- err += f"the total number of parameters ({len(self._param_df)})\n"
- err += f"or the number of unfixed parameters ({np.sum(self._unfixed_mask)}).\n"
- raise ValueError(err)
+ if len(params) == self._num_fittable:
- # Update kwargs
- for i in range(len(params)):
- self._mw_kwargs[self._unfixed_param_names[i]] = params[i]
+ mw_kwargs = {}
+ keys = list(self._mw_kwargs.keys())
- try:
- return np.array(self._model_to_fit(**self._mw_kwargs))
- except Exception as e:
- err = "\n\nThe wrapped model threw an error (see trace).\n\n"
- raise RuntimeError(err) from e
+ for i, k in enumerate(self._fit_params_in_order):
+ mw_kwargs[k] = params[i]
+ keys.remove(k)
+
+ for k in keys:
+ mw_kwargs[k] = self._mw_kwargs[k]
+
+ try:
+ return self._model_to_fit(**mw_kwargs)
+ except Exception as e:
+ err = "\n\nThe wrapped model threw an error (see trace).\n\n"
+ raise RuntimeError(err) from e
+
+ if len(params) == self._num_floating:
+
+ try:
+ return self.fast_model(params)
+ except Exception as e:
+ err = "\n\nThe wrapped model threw an error (see trace).\n\n"
+ raise RuntimeError(err) from e
+
+ # If we get here, the number of parameters was not interpretable.
+ err = f"params length ({len(params)}) must either correspond to\n"
+ err += f"the total number of parameters ({len(self._param_df)})\n"
+ err += f"or the number of unfixed parameters ({np.sum(self._floating_mask)}).\n"
+ raise ValueError(err)
+
def fast_model(self,params):
"""
Calculate model result with minimal error checking. params *must* be
- an array the same length as the number of unfixed parameters.
+ an array the same length as the number of unfixed parameters. This
+ assumes that self.finalize_params() was already run.
Parameters
----------
@@ -342,7 +364,11 @@ def fast_model(self,params):
# Update kwargs
for i in range(len(params)):
- self._mw_kwargs[self._unfixed_param_names[i]] = params[i]
+ self._mw_kwargs[self._floating_param_names[i]] = params[i]
+
+ # Update linked parameters
+ for k in self._linked_param_dict:
+ self._mw_kwargs[k] = self._mw_kwargs[self._linked_param_dict[k]]
return np.array(self._model_to_fit(**self._mw_kwargs))
@@ -382,6 +408,9 @@ def param_df(self):
+---------------+-----------------------------------------------------+
| 'prior_std' | single float value; np.nan allowed (see below) |
+---------------+-----------------------------------------------------+
+ | 'parent' | string parameter name pointing to the parameter to |
+ | | link this parameter to. |
+ +---------------+-----------------------------------------------------+
Gaussian priors are specified using the 'prior_mean' and 'prior_std'
fields, declaring the prior mean and standard deviation. If both are
@@ -400,22 +429,70 @@ def param_df(self,param_df):
self._param_df = validate_dataframe(param_df,
param_in_order=self._fit_params_in_order)
+ @property
+ def num_fittable(self):
+
+ return self._num_fittable
+
+ @property
+ def num_floating(self):
+
+ return self._num_floating
+
@property
def non_fit_kwargs(self):
"""
A dictionary with the function keyword arguments that are not fit
- paramters.
+ parameters.
"""
return self._non_fit_kwargs
@property
- def unfixed_mask(self):
+ def floating_mask(self):
+ """
+ Mask for param_df that returns only floating parameters. (Not fixed,
+ not linked to a parent).
+ """
+
+ if hasattr(self,"_floating_mask"):
+ return self._floating_mask
+
+ return None
+
+ @property
+ def fixed_mask(self):
+ """
+ Mask for param_df that returns only fixed parameters.
+ """
+
+ if hasattr(self,"_fixed_mask"):
+ return self._fixed_mask
+
+ return None
+
+ @property
+ def linked_mask(self):
+ """
+ Mask for param_df that returns only linked parameters (those with a
+ parent specified).
+ """
+
+ if hasattr(self,"_linked_mask"):
+ return self._linked_mask
+
+ return None
+
+ @property
+ def linked_param_dict(self):
"""
- Mask for param_df that returns only floating (unfixed) parameters.
+ Dictionary keying linked parameters to their parents.
"""
- return self._unfixed_mask
+ if hasattr(self,"_linked_param_dict"):
+ return self._linked_param_dict
+
+ return {}
def __repr__(self):
"""
diff --git a/src/dataprob/model_wrapper/vector_model_wrapper.py b/src/dataprob/model_wrapper/vector_model_wrapper.py
index 96405ff..59de7a1 100644
--- a/src/dataprob/model_wrapper/vector_model_wrapper.py
+++ b/src/dataprob/model_wrapper/vector_model_wrapper.py
@@ -161,11 +161,23 @@ def finalize_params(self):
self._param_df = validate_dataframe(param_df=self._param_df,
param_in_order=self._fit_params_in_order,
default_guess=self._default_guess)
+ self._num_fittable = len(self._param_df)
- # Get currently un-fixed parameters
- self._unfixed_mask = np.array(np.logical_not(self._param_df["fixed"]),dtype=bool)
- self._unfixed_param_names = np.array(self._param_df.loc[self._unfixed_mask,"name"]).copy()
+ self._update_special_params()
+
+ # Look for linked parameters
+ if np.sum(self._linked_mask) == 0:
+ self._linked_mapper = np.array([],dtype=int)
+ else:
+
+ linked_mapper = []
+ params_as_list = list(self._param_df["name"])
+ for link in self._param_df.loc[self._linked_mask,"parent"]:
+ linked_mapper.append(params_as_list.index(link))
+
+ self._linked_mapper = np.array(linked_mapper,dtype=int)
+
# Create all param vector
self._all_param_vector = np.array(self._param_df["guess"],dtype=float).copy()
@@ -192,33 +204,35 @@ def model(self,params=None):
# user has fixed value or made a change that has not propagated properly
self.finalize_params()
- compiled_params = np.array(self._param_df["guess"],dtype=float).copy()
-
if params is None:
- params = compiled_params
+ params = np.array(self._param_df.loc[self._floating_mask,"guess"]).copy()
# make sure the params are a float array
params = np.array(params,dtype=float)
+ self._num_fittable = len(self._param_df)
- # Copy in only unfixed params from full vector sent in
- if len(params) == len(compiled_params):
- compiled_params[self._unfixed_mask] = params[self._unfixed_mask]
+ if len(params) == self._num_fittable:
- # Copy in all params into unfixed positions
- elif len(params) == np.sum(self._unfixed_mask):
- compiled_params[self._unfixed_mask] = params
- else:
- err = f"params length ({len(params)}) must either correspond to\n"
- err += f"the total number of parameters ({len(self._param_df)})\n"
- err += f"or the number of unfixed parameters ({np.sum(self._unfixed_mask)}).\n"
- raise ValueError(err)
+ try:
+ return self._model_to_fit(params,
+ **self._non_fit_kwargs)
+ except Exception as e:
+ err = "\n\nThe wrapped model threw an error (see trace).\n\n"
+ raise RuntimeError(err) from e
+
+ if len(params) == self._num_floating:
+
+ try:
+ return self.fast_model(params)
+ except Exception as e:
+ err = "\n\nThe wrapped model threw an error (see trace).\n\n"
+ raise RuntimeError(err) from e
+
+ err = f"params length ({len(params)}) must either correspond to\n"
+ err += f"the total number of parameters ({len(self._param_df)})\n"
+ err += f"or the number of unfixed parameters ({np.sum(self._floating_mask)}).\n"
+ raise ValueError(err)
- try:
- return self._model_to_fit(compiled_params,
- **self._non_fit_kwargs)
- except Exception as e:
- err = "\n\nThe wrapped model threw an error (see trace).\n\n"
- raise RuntimeError(err) from e
def fast_model(self,params):
"""
@@ -227,7 +241,7 @@ def fast_model(self,params):
Parameters
----------
params : numpy.ndarray
- vector of unfixed parameter values
+ vector of floating parameter values
Returns
-------
@@ -235,6 +249,11 @@ def fast_model(self,params):
result of model(params)
"""
- self._all_param_vector[self._unfixed_mask] = params
+ self._all_param_vector[self._floating_mask] = params
+
+ # Map linked parameters if any are specified
+ if len(self._linked_mapper) > 0:
+ self._all_param_vector[self._linked_mask] = self._all_param_vector[self._linked_mapper]
+
return self._model_to_fit(self._all_param_vector,
**self._non_fit_kwargs)
diff --git a/tests/dataprob/fitters/test_base.py b/tests/dataprob/fitters/test_base.py
index d04be6a..15130f7 100644
--- a/tests/dataprob/fitters/test_base.py
+++ b/tests/dataprob/fitters/test_base.py
@@ -545,7 +545,7 @@ def linear_fcn(m=1,b=2,x=None): return m*x + b
f._y_std = y_std
f._success = True
f._fit_df = pd.DataFrame({"estimate":[1,3]})
- f._model._unfixed_mask = np.ones(2,dtype=bool)
+ f._model._floating_mask = np.ones(2,dtype=bool)
# check final data_df
out_df = f.data_df
@@ -649,9 +649,6 @@ def test_fcn(a=1,b=2): return a*b
f.data_df = tmp_df
-
-
-
def test_Fitter__initialize_fit_df():
# test on fake class
@@ -663,15 +660,17 @@ def __init__(self):
"lower_bound":[-np.inf,0],
"upper_bound":[np.inf,100],
"prior_mean":[1,np.nan],
- "prior_std":[1,np.nan]}
+ "prior_std":[1,np.nan],
+ "parent":[pd.NA,pd.NA]}
tc = TestClass()
Fitter._initialize_fit_df(tc)
assert np.array_equal(tc.param_df["name"],tc._fit_df["name"])
- assert np.sum(np.isnan(tc._fit_df["estimate"]))
- assert np.sum(np.isnan(tc._fit_df["std"]))
- assert np.sum(np.isnan(tc._fit_df["low_95"]))
- assert np.sum(np.isnan(tc._fit_df["high_95"]))
+ assert np.sum(np.isnan(tc._fit_df["estimate"])) == 2
+ assert np.sum(np.isnan(tc._fit_df["std"])) == 2
+ assert np.sum(np.isnan(tc._fit_df["low_95"])) == 2
+ assert np.sum(np.isnan(tc._fit_df["high_95"])) == 2
+ assert np.sum(pd.isna(tc._fit_df["parent"])) == 2
columns = ["guess","fixed",
"lower_bound","upper_bound",
@@ -680,12 +679,66 @@ def __init__(self):
assert np.array_equal(tc.param_df[k],tc._fit_df[k],equal_nan=True)
-def test_Fitter__update_fit_df():
+def test_Fitter__get_fit_values():
def test_fcn(a=1,b=2): return a*b
f = Fitter(some_function=test_fcn)
with pytest.raises(NotImplementedError):
- f._update_fit_df()
+ f._get_fit_values()
+
+
+def test_Fitter__update_fit_df():
+
+ def test_fcn(a=1,b=2): return a*b
+ f = Fitter(some_function=test_fcn)
+ def yo(): return [0,1],[1,2],[2,3],[3,4]
+ f._get_fit_values = yo
+
+ assert np.array_equal(f._fit_df.columns,
+ ["name","estimate","std","low_95","high_95",
+ "guess","fixed","lower_bound","upper_bound",
+ "prior_mean","prior_std","parent"])
+
+ assert np.array_equal(np.isnan(f._fit_df["estimate"]),[True,True])
+ assert np.array_equal(np.isnan(f._fit_df["std"]),[True,True])
+ assert np.array_equal(np.isnan(f._fit_df["low_95"]),[True,True])
+ assert np.array_equal(np.isnan(f._fit_df["high_95"]),[True,True])
+
+ f._update_fit_df()
+
+ assert np.array_equal(f._fit_df["estimate"],[0,1])
+ assert np.array_equal(f._fit_df["std"],[1,2])
+ assert np.array_equal(f._fit_df["low_95"],[2,3])
+ assert np.array_equal(f._fit_df["high_95"],[3,4])
+
+
+ # link b to a, so only a estimate is meaningful
+ def test_fcn(a=1,b=2): return a*b
+ f = Fitter(some_function=test_fcn)
+ def yo(): return [1],[2],[3],[4]
+ f._get_fit_values = yo
+ f._model.param_df["parent"] = [pd.NA,"a"]
+
+ f._model.finalize_params()
+
+ assert np.array_equal(f._fit_df.columns,
+ ["name","estimate","std","low_95","high_95",
+ "guess","fixed","lower_bound","upper_bound",
+ "prior_mean","prior_std","parent"])
+
+ assert np.array_equal(np.isnan(f._fit_df["estimate"]),[True,True])
+ assert np.array_equal(np.isnan(f._fit_df["std"]),[True,True])
+ assert np.array_equal(np.isnan(f._fit_df["low_95"]),[True,True])
+ assert np.array_equal(np.isnan(f._fit_df["high_95"]),[True,True])
+ assert np.array_equal(f._fit_df["guess"],[1,2])
+
+ f._update_fit_df()
+
+ assert np.array_equal(f._fit_df["estimate"],[1,1])
+ assert np.array_equal(f._fit_df["std"],[2,2])
+ assert np.array_equal(f._fit_df["low_95"],[3,3])
+ assert np.array_equal(f._fit_df["high_95"],[4,4])
+ assert np.array_equal(f._fit_df["guess"],[1,1])
def test_Fitter_fit_df():
@@ -703,7 +756,7 @@ def test_fcn(a=1,b=2,x="array"): return x*a + b
assert np.array_equal(f.fit_df.columns,
["name","estimate","std","low_95","high_95",
"guess","fixed","lower_bound","upper_bound",
- "prior_mean","prior_std"])
+ "prior_mean","prior_std","parent"])
def test_Fitter_fit_quality():
diff --git a/tests/dataprob/model_wrapper/test__dataframe_processing.py b/tests/dataprob/model_wrapper/test__dataframe_processing.py
index 95c6ef0..8fb8dfe 100644
--- a/tests/dataprob/model_wrapper/test__dataframe_processing.py
+++ b/tests/dataprob/model_wrapper/test__dataframe_processing.py
@@ -6,6 +6,7 @@
from dataprob.model_wrapper._dataframe_processing import _check_bounds
from dataprob.model_wrapper._dataframe_processing import _check_guesses
from dataprob.model_wrapper._dataframe_processing import _check_priors
+from dataprob.model_wrapper._dataframe_processing import _check_and_update_parent
from dataprob.model_wrapper._dataframe_processing import _df_to_dict
@@ -67,7 +68,8 @@ def test__build_columns():
default_guess=10)
assert np.array_equal(out_df.columns,["name","guess","fixed","lower_bound",
- "upper_bound","prior_mean","prior_std"])
+ "upper_bound","prior_mean","prior_std",
+ "parent"])
assert np.array_equal(out_df["name"],["a","b"])
assert np.array_equal(out_df["guess"],[10,10])
assert np.array_equal(out_df["fixed"],[False,False])
@@ -75,6 +77,7 @@ def test__build_columns():
assert np.array_equal(out_df["upper_bound"],[np.inf,np.inf])
assert np.sum(np.isnan(out_df["prior_mean"])) == 2
assert np.sum(np.isnan(out_df["prior_std"])) == 2
+ assert np.sum(pd.isnull(out_df["parent"])) == 2
# make sure existing columns are left intact
df = pd.DataFrame({"name":["a","b"],
@@ -87,7 +90,8 @@ def test__build_columns():
out_df = _build_columns(param_df=df,
default_guess=10)
assert np.array_equal(out_df.columns,["name","guess","fixed","lower_bound",
- "upper_bound","prior_mean","prior_std"])
+ "upper_bound","prior_mean","prior_std",
+ "parent"])
assert np.array_equal(out_df["name"],["a","b"])
assert np.array_equal(out_df["guess"],[20,20])
assert np.array_equal(out_df["fixed"],[False,True])
@@ -95,6 +99,7 @@ def test__build_columns():
assert np.array_equal(out_df["upper_bound"],[200,200])
assert np.array_equal(out_df["prior_mean"],[np.nan,20],equal_nan=True)
assert np.array_equal(out_df["prior_std"],[np.nan,10],equal_nan=True)
+ assert np.sum(pd.isnull(out_df["parent"])) == 2
# float coercion check
df = pd.DataFrame({"name":["a","b"],
@@ -107,7 +112,8 @@ def test__build_columns():
out_df = _build_columns(param_df=df,
default_guess=10)
assert np.array_equal(out_df.columns,["name","guess","fixed","lower_bound",
- "upper_bound","prior_mean","prior_std"])
+ "upper_bound","prior_mean","prior_std",
+ "parent"])
assert np.array_equal(out_df["name"],["a","b"])
assert np.array_equal(out_df["guess"],[20,20])
assert np.array_equal(out_df["fixed"],[False,True])
@@ -115,6 +121,7 @@ def test__build_columns():
assert np.array_equal(out_df["upper_bound"],[200,200])
assert np.array_equal(out_df["prior_mean"],[np.nan,20],equal_nan=True)
assert np.array_equal(out_df["prior_std"],[np.nan,10],equal_nan=True)
+ assert np.sum(pd.isnull(out_df["parent"])) == 2
# We sent in guess above as an integer. Make sure it's being properly
# coerced to a float. We sent in lower_bound as a float. It should also
@@ -154,7 +161,14 @@ def test__build_columns():
with pytest.raises(ValueError):
out_df = _build_columns(param_df=df,
default_guess=10)
-
+
+ df = pd.DataFrame({"name":["a","b"],
+ "parent":[pd.NA,"a"]})
+ out_df = _build_columns(param_df=df,
+ default_guess=10)
+ assert pd.isna(out_df.loc[0,"parent"])
+ assert out_df.loc[1,"parent"] == "a"
+
def test__check_bounds():
# check automatic nan assignment
@@ -285,6 +299,70 @@ def test__check_priors():
with pytest.raises(ValueError):
_check_priors(df)
+def test__check_and_update_parent():
+
+ # handle default incoming pd.NA
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":[pd.NA,pd.NA]})
+ df = _check_and_update_parent(test_df)
+ assert np.sum(pd.isna(df["parent"])) == 2
+
+ # set to pd.NA
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["",""]})
+ df = _check_and_update_parent(test_df)
+ assert np.sum(pd.isna(df["parent"])) == 2
+
+ # set nan to pd.NA
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["nan","nan"]})
+ df = _check_and_update_parent(test_df)
+ assert np.sum(pd.isna(df["parent"])) == 2
+
+ # Set self parent (a -> a) to pd.NA
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["a","nan"]})
+ df = _check_and_update_parent(test_df)
+ assert np.sum(pd.isna(df["parent"])) == 2
+
+ # Throw error because 'c' is not in 'name' column
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["c",pd.NA]})
+ df = test_df.copy()
+ with pytest.raises(ValueError):
+ df = _check_and_update_parent(test_df)
+
+ # Throw an error because too much nesting
+ test_df = pd.DataFrame({"name":["a","b","c"],
+ "parent":[pd.NA,"a","b"]})
+ df = test_df.copy()
+ with pytest.raises(ValueError):
+ df = _check_and_update_parent(test_df)
+
+ # Throw error because no non-parent
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["b","a"]})
+ with pytest.raises(ValueError):
+ df = _check_and_update_parent(param_df=test_df)
+
+ # link b
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["b",pd.NA]})
+ df = _check_and_update_parent(test_df)
+
+ # link b, checking copy
+ test_df = pd.DataFrame({"name":["a","b"],
+ "parent":["b",pd.NA],
+ "guess":[1,2],
+ "xnay":[5,6]})
+ assert np.array_equal(test_df["guess"],[1,2])
+ assert np.array_equal(test_df["xnay"],[5,6])
+ df = _check_and_update_parent(test_df)
+ assert np.array_equal(df["guess"],[2,2])
+ assert np.array_equal(df["xnay"],[6,6])
+
+
+
def test__df_to_dict():
# name column check
diff --git a/tests/dataprob/model_wrapper/test_model_wrapper.py b/tests/dataprob/model_wrapper/test_model_wrapper.py
index 138aee1..640a8d4 100644
--- a/tests/dataprob/model_wrapper/test_model_wrapper.py
+++ b/tests/dataprob/model_wrapper/test_model_wrapper.py
@@ -7,6 +7,7 @@
def test_ModelWrapper___init__():
+
def model_to_test_wrap(a,b=2,c=3,d="test",e=3): return a*b*c
# Test argument checking
@@ -322,6 +323,49 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
with pytest.raises(ValueError):
mw._validate_non_fit_kwargs()
+def test_ModelWrapper__update_special_params():
+
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+
+ assert np.array_equal(mw.fixed_mask,[False,False,False])
+ assert np.array_equal(mw.linked_mask,[False,False,False])
+ assert np.array_equal(mw.floating_mask,[True,True,True])
+ assert len(mw.linked_param_dict) == 0
+ assert issubclass(type(mw.linked_param_dict),dict)
+
+ mw._param_df["fixed"] = [True,False,False]
+ mw._update_special_params()
+
+ assert np.array_equal(mw.fixed_mask,[True,False,False])
+ assert np.array_equal(mw.linked_mask,[False,False,False])
+ assert np.array_equal(mw.floating_mask,[False,True,True])
+ assert len(mw.linked_param_dict) == 0
+ assert issubclass(type(mw.linked_param_dict),dict)
+
+ mw._param_df["parent"] = [pd.NA,pd.NA,"a"]
+ mw._update_special_params()
+
+ assert np.array_equal(mw.fixed_mask,[True,False,False])
+ assert np.array_equal(mw.linked_mask,[False,False,True])
+ assert np.array_equal(mw.floating_mask,[False,True,False])
+
+ assert len(mw.linked_param_dict) == 1
+ assert issubclass(type(mw.linked_param_dict),dict)
+ assert mw.linked_param_dict["c"] == "a"
+
+ mw._param_df["fixed"] = [False,False,False]
+ mw._param_df["parent"] = [pd.NA,pd.NA,pd.NA]
+ mw._update_special_params()
+
+ assert np.array_equal(mw.fixed_mask,[False,False,False])
+ assert np.array_equal(mw.linked_mask,[False,False,False])
+ assert np.array_equal(mw.floating_mask,[True,True,True])
+
+ assert len(mw.linked_param_dict) == 0
+ assert issubclass(type(mw.linked_param_dict),dict)
+
+
def test_ModelWrapper_finalize_params():
@@ -355,8 +399,8 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
assert mw._mw_kwargs["c"] == 3
assert mw._mw_kwargs["d"] == "test"
assert mw._mw_kwargs["e"] == 3
- assert np.array_equal(mw._unfixed_mask,[True,True,True])
- assert np.array_equal(mw._unfixed_param_names,["a","b","c"])
+ assert np.array_equal(mw._floating_mask,[True,True,True])
+ assert np.array_equal(mw._floating_param_names,["a","b","c"])
# Run function
mw.finalize_params()
@@ -372,8 +416,10 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
assert mw._mw_kwargs["c"] == 3
assert mw._mw_kwargs["d"] == "test"
assert mw._mw_kwargs["e"] == 3
- assert np.array_equal(mw._unfixed_mask,[False,True,True])
- assert np.array_equal(mw._unfixed_param_names,["b","c"])
+ assert np.array_equal(mw._floating_mask,[False,True,True])
+ assert np.array_equal(mw._floating_param_names,["b","c"])
+ assert np.array_equal(mw._fixed_mask,[True,False,False])
+ assert np.array_equal(mw._linked_mask,[False,False,False])
# send in bad edit -- finalize should catch
mw.param_df.loc["not_a_param","guess"] = 5
@@ -396,6 +442,20 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
# remove offending parameter
mw.non_fit_kwargs.pop("f")
mw.finalize_params()
+
+ # now check addition of linked parameters
+ def model_to_test_wrap(a=1,b=2,c=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ mw.param_df["parent"] = [None,"a","a"]
+ mw.finalize_params()
+ assert len(mw._linked_param_dict) == 2
+ assert mw._linked_param_dict["b"] == "a"
+ assert mw._linked_param_dict["c"] == "a"
+
+ mw.param_df["parent"] = [None,None,None]
+ mw.finalize_params()
+ assert len(mw._linked_param_dict) == 0
+
def test_ModelWrapper_update_params(spreadsheets):
@@ -501,6 +561,15 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): raise ValueError
mw = ModelWrapper(model_to_test_wrap)
with pytest.raises(RuntimeError):
mw.model()
+
+ # edge cas where we send in number floating parameters and it dies
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): raise ValueError
+ mw = ModelWrapper(model_to_test_wrap)
+ mw.param_df["fixed"] = [True,False,False]
+ with pytest.raises(RuntimeError):
+ mw.model([2,3])
+
+
def test_ModelWrapper_fast_model():
@@ -553,6 +622,25 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
assert np.array_equal(mw.param_df["name"],["a","b","c"])
assert np.array_equal(mw.param_df["guess"],[10,20,30])
+def test_ModelWrapper_num_fittable():
+
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ assert mw.num_fittable == 3
+ mw.param_df.loc["a","fixed"] = True
+ mw.finalize_params()
+ assert mw.num_fittable == 3
+
+
+def test_ModelWrapper_num_floating():
+
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ assert mw.num_floating == 3
+ mw.param_df.loc["a","fixed"] = True
+ mw.finalize_params()
+ assert mw.num_floating == 2
+
def test_ModelWrapper_non_fit_kwargs():
def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
@@ -561,17 +649,78 @@ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
assert mw.non_fit_kwargs["d"] == "test"
assert mw.non_fit_kwargs["e"] == 3
-def test_ModelWrapper_unfixed_mask():
+def test_ModelWrapper_floating_mask():
def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
mw = ModelWrapper(model_to_test_wrap)
- assert np.array_equal(mw.unfixed_mask,[True,True,True])
+ assert np.array_equal(mw.floating_mask,[True,True,True])
# set to fixed -- should not update until finalized
mw.param_df.loc["a","fixed"] = True
- assert np.array_equal(mw.unfixed_mask,[True,True,True])
+ assert np.array_equal(mw.floating_mask,[True,True,True])
mw.finalize_params()
- assert np.array_equal(mw.unfixed_mask,[False,True,True])
+ assert np.array_equal(mw.floating_mask,[False,True,True])
+
+ # test None fallback
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ del(mw._floating_mask)
+ assert mw.floating_mask is None
+
+
+def test_ModelWrapper_fixed_mask():
+
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ assert np.array_equal(mw.fixed_mask,[False,False,False])
+
+ mw.param_df["fixed"] = [False,True,True]
+ mw.finalize_params()
+ assert np.array_equal(mw.fixed_mask,[False,True,True])
+
+ # test None fallback
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ del(mw._fixed_mask)
+ assert mw.fixed_mask is None
+
+
+
+def test_ModelWrapper_linked_mask():
+
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ assert np.array_equal(mw.linked_mask,[False,False,False])
+
+ mw.param_df["parent"] = [pd.NA,"a","a"]
+ mw.finalize_params()
+ assert np.array_equal(mw.linked_mask,[False,True,True])
+
+ # test None fallback
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ del(mw._linked_mask)
+ assert mw.linked_mask is None
+
+
+def test_ModelWrapper_linked_param_dict():
+
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ assert issubclass(type(mw.linked_param_dict),dict)
+ assert len(mw.linked_param_dict) == 0
+
+ mw.param_df["parent"] = [pd.NA,"a","a"]
+ mw.finalize_params()
+ assert len(mw.linked_param_dict) == 2
+ mw.linked_param_dict["b"] == "a"
+ mw.linked_param_dict["c"] == "a"
+
+ # test {} fallback
+ def model_to_test_wrap(a=1,b=2,c=3,d="test",e=3): return a*b*c
+ mw = ModelWrapper(model_to_test_wrap)
+ del(mw._linked_param_dict)
+ assert len(mw.linked_param_dict) == 0
def test_ModelWrapper___repr__():
diff --git a/tests/dataprob/model_wrapper/test_vector_model_wrapper.py b/tests/dataprob/model_wrapper/test_vector_model_wrapper.py
index b41d4cd..c0725f7 100644
--- a/tests/dataprob/model_wrapper/test_vector_model_wrapper.py
+++ b/tests/dataprob/model_wrapper/test_vector_model_wrapper.py
@@ -174,7 +174,7 @@ def model_to_test_wrap(a,b,c=3): return a[0]*a[1]*b*c
# Check initial configuration after __init__
assert np.array_equal(mw._fit_params_in_order,["x","y"])
assert mw._param_df.loc["x","guess"] == 1
- assert np.array_equal(mw._unfixed_mask,[True,True])
+ assert np.array_equal(mw._floating_mask,[True,True])
assert len(mw._non_fit_kwargs) == 2
assert mw._non_fit_kwargs["b"] is None
assert mw._non_fit_kwargs["c"] == 3
@@ -185,7 +185,7 @@ def model_to_test_wrap(a,b,c=3): return a[0]*a[1]*b*c
assert np.array_equal(mw._fit_params_in_order,["x","y"])
assert mw._param_df.loc["x","guess"] == 10
- assert np.array_equal(mw._unfixed_mask,[True,True])
+ assert np.array_equal(mw._floating_mask,[True,True])
assert len(mw._non_fit_kwargs) == 2
assert mw._non_fit_kwargs["b"] is None
assert mw._non_fit_kwargs["c"] == 3
@@ -196,7 +196,7 @@ def model_to_test_wrap(a,b,c=3): return a[0]*a[1]*b*c
# Check for expected output
assert np.array_equal(mw._fit_params_in_order,["x","y"])
assert mw._param_df.loc["x","guess"] == 10
- assert np.array_equal(mw._unfixed_mask,[False,True])
+ assert np.array_equal(mw._floating_mask,[False,True])
assert len(mw._non_fit_kwargs) == 2
assert mw._non_fit_kwargs["b"] is None
assert mw._non_fit_kwargs["c"] == 3
@@ -233,14 +233,10 @@ def test_fcn(x,z="test"): return x[0] + x[1] + x[2]
with pytest.raises(ValueError):
result = mw.model(params="stupid")
- print("XNAY",mw.param_df)
-
# basic check. Does it run with parameters sent in?
result = mw.model([1,2,3])
assert result == 6
- print("HERE",mw.param_df)
-
# basic check. no parameters sent in -- pulled from the parameter guessess
result = mw.model(params=None)
assert result == 20 + 30 + 50
@@ -250,11 +246,11 @@ def test_fcn(x,z="test"): return x[0] + x[1] + x[2]
result = mw.model(params=None)
assert result == 20 + 30 + 50
- # Guesses override what we sent in
+ # Guesses *do not* override what we sent in
mw.param_df.loc["a","fixed"] = True
mw.param_df.loc["b","fixed"] = True
result = mw.model(params=[1,2,3])
- assert result == 20 + 30 + 3
+ assert result == 1 + 2 + 3
# Should give fixed values for a and b plus what we sent in for c
result = mw.model(params=[1000])
@@ -265,7 +261,7 @@ def test_fcn(x,z="test"): return x[0] + x[1] + x[2]
# make sure it recognizes fix and guess
assert mw.model([1000]) == 10 + 30 + 1000
- assert mw.model([1,2,1000]) == 10 + 30 + 1000
+ assert mw.model([1,2,1000]) == 1 + 2 + 1000
# Test error catching from model
def test_fcn(x,z="test"): raise TypeError
@@ -274,6 +270,15 @@ def test_fcn(x,z="test"): raise TypeError
with pytest.raises(RuntimeError):
mw.model()
+ # edge cas where we send in number floating parameters and it dies
+ def model_to_test_wrap(x,d="test",e=3): raise ValueError
+ mw = VectorModelWrapper(model_to_test_wrap,
+ fit_parameters={"a":20,"b":30,"c":50})
+ mw.param_df["fixed"] = [True,False,False]
+ with pytest.raises(RuntimeError):
+ mw.model([2,3])
+
+
def test_VectorModelWrapper_fast_model():
diff --git a/tests/dataprob/test_integration/test_linking.py b/tests/dataprob/test_integration/test_linking.py
new file mode 100644
index 0000000..2b8b0f1
--- /dev/null
+++ b/tests/dataprob/test_integration/test_linking.py
@@ -0,0 +1,114 @@
+
+import pytest
+import dataprob
+import numpy as np
+
+def _covarying_model(m1=1,m2=1,x=None):
+
+ return m1*m2*x
+
+def _covarying_model_vec(params,x=None):
+
+ return params[0]*params[1]*x
+
+
+def test_linking_normal():
+
+ x = np.arange(0,10)
+ y_obs = x*4
+ y_std = 0.000001*np.ones(10)
+
+ # Fit model with two floating parameters
+ f = dataprob.setup(some_function=_covarying_model,
+ method="ml",
+ non_fit_kwargs={"x":x})
+
+ # Should throw warning because parameters perfectly co-vary
+ with pytest.warns():
+ f.fit(y_obs=y_obs,
+ y_std=y_std)
+
+ # Now fix m2
+ f = dataprob.setup(some_function=_covarying_model,
+ method="ml",
+ non_fit_kwargs={"x":x})
+ f.param_df.loc["m2","fixed"] = True
+ f.param_df.loc["m2","guess"] = 1
+
+ f.fit(y_obs=y_obs,
+ y_std=y_std)
+
+ assert np.isclose(f.fit_df.loc["m1","estimate"],4.0)
+
+ # Now link m1 to m2
+ f = dataprob.setup(some_function=_covarying_model,
+ method="ml",
+ non_fit_kwargs={"x":x})
+ f.param_df.loc["m2","parent"] = "m1"
+
+ f.fit(y_obs=y_obs,
+ y_std=y_std)
+
+ assert np.isclose(f.fit_df.loc["m1","estimate"],2.0)
+ assert np.isclose(f.fit_df.loc["m2","estimate"],2.0)
+
+ m1_values = np.array(f.fit_df.loc["m1",["estimate","std","low_95","high_95"]],dtype=float)
+ m2_values = np.array(f.fit_df.loc["m2",["estimate","std","low_95","high_95"]],dtype=float)
+ assert np.array_equal(m1_values,m2_values)
+
+
+def test_linking_vector():
+
+ x = np.arange(0,10)
+ y_obs = x*4
+ y_std = 0.000001*np.ones(10)
+
+ # Fit model with two floating parameters
+ f = dataprob.setup(some_function=_covarying_model_vec,
+ method="ml",
+ fit_parameters=["m1","m2"],
+ vector_first_arg=True,
+ non_fit_kwargs={"x":x})
+
+ # Should throw warning because parameters perfectly co-vary
+ with pytest.warns():
+ f.fit(y_obs=y_obs,
+ y_std=y_std)
+
+ # Now fix m2
+ f = dataprob.setup(some_function=_covarying_model_vec,
+ method="ml",
+ fit_parameters=["m1","m2"],
+ vector_first_arg=True,
+ non_fit_kwargs={"x":x})
+ f.param_df.loc["m2","fixed"] = True
+ f.param_df.loc["m2","guess"] = 1
+
+ f.fit(y_obs=y_obs,
+ y_std=y_std)
+
+ assert np.isclose(f.fit_df.loc["m1","estimate"],4.0)
+
+ # Now link m1 to m2
+ f = dataprob.setup(some_function=_covarying_model_vec,
+ method="ml",
+ fit_parameters=["m1","m2"],
+ vector_first_arg=True,
+ non_fit_kwargs={"x":x})
+ f.param_df.loc[:,"guess"] = [1,4]
+ f.param_df.loc["m2","parent"] = "m1"
+
+ f.fit(y_obs=y_obs,
+ y_std=y_std)
+
+ assert np.isclose(f.fit_df.loc["m1","estimate"],2.0)
+ assert np.isclose(f.fit_df.loc["m2","estimate"],2.0)
+
+ m1_values = np.array(f.fit_df.loc["m1",["estimate","std","low_95","high_95"]],dtype=float)
+ m2_values = np.array(f.fit_df.loc["m2",["estimate","std","low_95","high_95"]],dtype=float)
+ assert np.array_equal(m1_values,m2_values)
+
+
+
+
+
\ No newline at end of file