# Copyright 2021 DeepMind Technologies Limited # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Shared utils for tests.""" import dataclasses from alphafold.model.geometry import rigid_matrix_vector from alphafold.model.geometry import rotation_matrix from alphafold.model.geometry import vector import jax.numpy as jnp import numpy as np def assert_rotation_matrix_equal(matrix1: rotation_matrix.Rot3Array, matrix2: rotation_matrix.Rot3Array): for field in dataclasses.fields(rotation_matrix.Rot3Array): field = field.name np.testing.assert_array_equal( getattr(matrix1, field), getattr(matrix2, field)) def assert_rotation_matrix_close(mat1: rotation_matrix.Rot3Array, mat2: rotation_matrix.Rot3Array): np.testing.assert_array_almost_equal(mat1.to_array(), mat2.to_array(), 6) def assert_array_equal_to_rotation_matrix(array: jnp.ndarray, matrix: rotation_matrix.Rot3Array): """Check that array and Matrix match.""" np.testing.assert_array_equal(matrix.xx, array[..., 0, 0]) np.testing.assert_array_equal(matrix.xy, array[..., 0, 1]) np.testing.assert_array_equal(matrix.xz, array[..., 0, 2]) np.testing.assert_array_equal(matrix.yx, array[..., 1, 0]) np.testing.assert_array_equal(matrix.yy, array[..., 1, 1]) np.testing.assert_array_equal(matrix.yz, array[..., 1, 2]) np.testing.assert_array_equal(matrix.zx, array[..., 2, 0]) np.testing.assert_array_equal(matrix.zy, array[..., 2, 1]) np.testing.assert_array_equal(matrix.zz, array[..., 2, 2]) def assert_array_close_to_rotation_matrix(array: jnp.ndarray, matrix: rotation_matrix.Rot3Array): np.testing.assert_array_almost_equal(matrix.to_array(), array, 6) def assert_vectors_equal(vec1: vector.Vec3Array, vec2: vector.Vec3Array): np.testing.assert_array_equal(vec1.x, vec2.x) np.testing.assert_array_equal(vec1.y, vec2.y) np.testing.assert_array_equal(vec1.z, vec2.z) def assert_vectors_close(vec1: vector.Vec3Array, vec2: vector.Vec3Array): np.testing.assert_allclose(vec1.x, vec2.x, atol=1e-6, rtol=0.) np.testing.assert_allclose(vec1.y, vec2.y, atol=1e-6, rtol=0.) np.testing.assert_allclose(vec1.z, vec2.z, atol=1e-6, rtol=0.) def assert_array_close_to_vector(array: jnp.ndarray, vec: vector.Vec3Array): np.testing.assert_allclose(vec.to_array(), array, atol=1e-6, rtol=0.) def assert_array_equal_to_vector(array: jnp.ndarray, vec: vector.Vec3Array): np.testing.assert_array_equal(vec.to_array(), array) def assert_rigid_equal_to_rigid(rigid1: rigid_matrix_vector.Rigid3Array, rigid2: rigid_matrix_vector.Rigid3Array): assert_rot_trans_equal_to_rigid(rigid1.rotation, rigid1.translation, rigid2) def assert_rigid_close_to_rigid(rigid1: rigid_matrix_vector.Rigid3Array, rigid2: rigid_matrix_vector.Rigid3Array): assert_rot_trans_close_to_rigid(rigid1.rotation, rigid1.translation, rigid2) def assert_rot_trans_equal_to_rigid(rot: rotation_matrix.Rot3Array, trans: vector.Vec3Array, rigid: rigid_matrix_vector.Rigid3Array): assert_rotation_matrix_equal(rot, rigid.rotation) assert_vectors_equal(trans, rigid.translation) def assert_rot_trans_close_to_rigid(rot: rotation_matrix.Rot3Array, trans: vector.Vec3Array, rigid: rigid_matrix_vector.Rigid3Array): assert_rotation_matrix_close(rot, rigid.rotation) assert_vectors_close(trans, rigid.translation)