FEAT: implement ChainedDataTransformer (#470)

Author: redeboer

.cspell.json

@@ -169,6 +169,7 @@
         "qrules",
         "rightarrow",
         "rtfd",
+        "rtol",
         "scipy",
         "sdist",
         "seealso",

src/tensorwaves/data/_attrs.py

@@ -0,0 +1,9 @@
+from __future__ import annotations
+
+from typing import Iterable
+
+from tensorwaves.interface import DataTransformer
+
+
+def to_tuple(items: Iterable[DataTransformer]) -> tuple[DataTransformer, ...]:
+    return tuple(items)

src/tensorwaves/data/transform.py

@@ -3,6 +3,8 @@
 
 from typing import TYPE_CHECKING, Mapping
 
+from attrs import field, frozen
+
 from tensorwaves.function import PositionalArgumentFunction
 from tensorwaves.function.sympy import (
     _get_free_symbols,  # pyright: ignore[reportPrivateUsage]
@@ -12,10 +14,38 @@
 )
 from tensorwaves.interface import DataSample, DataTransformer, Function
 
+from ._attrs import to_tuple
+
 if TYPE_CHECKING:  # pragma: no cover
     import sympy as sp
 
 
+@frozen
+class ChainedDataTransformer(DataTransformer):
+    """Combine multiple `.DataTransformer` classes into one.
+
+    Args:
+        transformer: Ordered list of transformers that you want to chain.
+        extend: Set to `True` in order to keep keys of each output `.DataSample` and
+            collect them into the final, chained `.DataSample`.
+    """
+
+    transformers: tuple[DataTransformer, ...] = field(converter=to_tuple)
+    extend: bool = True
+
+    def __call__(self, data: DataSample) -> DataSample:
+        new_data = dict(data)
+        weights = new_data.get("weights")
+        for transformer in self.transformers:
+            if self.extend:
+                new_data.update(transformer(new_data))
+            else:
+                new_data = transformer(new_data)
+        if weights is not None:
+            new_data["weights"] = weights
+        return new_data
+
+
 class IdentityTransformer(DataTransformer):
     """`.DataTransformer` that leaves a `.DataSample` intact."""
 

tests/data/test_transform.py

@@ -1,10 +1,47 @@
-# pylint: disable=invalid-name
+from __future__ import annotations
+
 import numpy as np
 import pytest
 import sympy as sp
 from numpy import sqrt
 
-from tensorwaves.data import IdentityTransformer, SympyDataTransformer
+from tensorwaves.data.transform import (
+    ChainedDataTransformer,
+    IdentityTransformer,
+    SympyDataTransformer,
+)
+
+
+class TestChainedDataTransformer:
+    @pytest.mark.parametrize("extend", [False, True])
+    def test_identity_chain(self, extend: bool):
+        x, y, v, w = sp.symbols("x y v w")
+        transform1 = _create_transformer({v: 2 * x - 5, w: -0.2 * y + 3})
+        transform2 = _create_transformer({x: 0.5 * (v + 5), y: 5 * (3 - w)})
+        chained_transform = ChainedDataTransformer([transform1, transform2], extend)
+        rng = np.random.default_rng(seed=0)
+        data = {"x": rng.uniform(size=100), "y": rng.uniform(size=100)}
+        transformed_data = chained_transform(data)
+        for key in data:  # pylint: disable=consider-using-dict-items
+            np.testing.assert_allclose(data[key], transformed_data[key], rtol=1e-13)
+        if extend:
+            assert set(transformed_data) == {"x", "y", "v", "w"}
+        else:
+            assert set(transformed_data) == {"x", "y"}
+
+    def test_single_chain(self):
+        transform = IdentityTransformer()
+        chained_transform = ChainedDataTransformer([transform])
+        data = {
+            "x": np.ones(5),
+            "y": np.ones(5),
+        }
+        assert data == chained_transform(data)
+        assert data is not chained_transform(data)  # DataSample returned as new dict
+
+
+def _create_transformer(expressions: dict[sp.Symbol, sp.Expr]) -> SympyDataTransformer:
+    return SympyDataTransformer.from_sympy(expressions, backend="jax")
 
 
 class TestIdentityTransformer: