remove back compatibility files for version 0.2

tests/test_block/test_rbf.py

@@ -0,0 +1,108 @@
+import torch
+import pytest
+import math
+
+from pina.model.block.rbf_block import RBFBlock
+
+x = torch.linspace(-1, 1, 100)
+toy_params = torch.linspace(0, 1, 10).unsqueeze(1)
+toy_snapshots = torch.vstack([torch.exp(-(x**2)) * c for c in toy_params])
+toy_params_test = torch.linspace(0, 1, 3).unsqueeze(1)
+toy_snapshots_test = torch.vstack(
+    [torch.exp(-(x**2)) * c for c in toy_params_test]
+)
+
+kernels = [
+    "linear",
+    "thin_plate_spline",
+    "cubic",
+    "quintic",
+    "multiquadric",
+    "inverse_multiquadric",
+    "inverse_quadratic",
+    "gaussian",
+]
+
+noscale_invariant_kernels = [
+    "multiquadric",
+    "inverse_multiquadric",
+    "inverse_quadratic",
+    "gaussian",
+]
+
+scale_invariant_kernels = ["linear", "thin_plate_spline", "cubic", "quintic"]
+
+
+def test_constructor_default():
+    rbf = RBFBlock()
+    assert rbf.kernel == "thin_plate_spline"
+    assert rbf.epsilon == 1
+    assert rbf.smoothing == 0.0
+
+
+@pytest.mark.parametrize("kernel", kernels)
+@pytest.mark.parametrize("epsilon", [0.1, 1.0, 10.0])
+def test_constructor_epsilon(kernel, epsilon):
+    if kernel in scale_invariant_kernels:
+        rbf = RBFBlock(kernel=kernel)
+        assert rbf.kernel == kernel
+        assert rbf.epsilon == 1
+    elif kernel in noscale_invariant_kernels:
+        with pytest.raises(ValueError):
+            rbf = RBFBlock(kernel=kernel)
+        rbf = RBFBlock(kernel=kernel, epsilon=epsilon)
+        assert rbf.kernel == kernel
+        assert rbf.epsilon == epsilon
+
+    assert rbf.smoothing == 0.0
+
+
+@pytest.mark.parametrize("kernel", kernels)
+@pytest.mark.parametrize("epsilon", [0.1, 1.0, 10.0])
+@pytest.mark.parametrize("degree", [2, 3, 4])
+@pytest.mark.parametrize("smoothing", [1e-5, 1e-3, 1e-1])
+def test_constructor_all(kernel, epsilon, degree, smoothing):
+    rbf = RBFBlock(
+        kernel=kernel, epsilon=epsilon, degree=degree, smoothing=smoothing
+    )
+    assert rbf.kernel == kernel
+    assert rbf.epsilon == epsilon
+    assert rbf.degree == degree
+    assert rbf.smoothing == smoothing
+    assert rbf.y == None
+    assert rbf.d == None
+    assert rbf.powers == None
+    assert rbf._shift == None
+    assert rbf._scale == None
+    assert rbf._coeffs == None
+
+
+def test_fit():
+    rbf = RBFBlock()
+    rbf.fit(toy_params, toy_snapshots)
+    ndim = toy_params.shape[1]
+    torch.testing.assert_close(rbf.y, toy_params)
+    torch.testing.assert_close(rbf.d, toy_snapshots)
+    assert rbf.powers.shape == (math.comb(rbf.degree + ndim, ndim), ndim)
+    assert rbf._shift.shape == (ndim,)
+    assert rbf._scale.shape == (ndim,)
+    assert rbf._coeffs.shape == (
+        rbf.powers.shape[0] + toy_snapshots.shape[0],
+        toy_snapshots.shape[1],
+    )
+
+
+def test_forward():
+    rbf = RBFBlock()
+    rbf.fit(toy_params, toy_snapshots)
+    c = rbf(toy_params)
+    assert c.shape == toy_snapshots.shape
+    torch.testing.assert_close(c, toy_snapshots)
+
+
+def test_forward_unseen_parameters():
+    rbf = RBFBlock()
+    rbf.fit(toy_params, toy_snapshots)
+    c = rbf(toy_params_test)
+    assert c.shape == toy_snapshots_test.shape
+    torch.testing.assert_close(c, toy_snapshots_test)