# 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 import torch from protenix.openfold_local.utils.geometry import rigid_matrix_vector from protenix.openfold_local.utils.geometry import rotation_matrix from protenix.openfold_local.utils.geometry import vector def assert_rotation_matrix_equal( matrix1: rotation_matrix.Rot3Array, matrix2: rotation_matrix.Rot3Array ): for field in dataclasses.fields(rotation_matrix.Rot3Array): field = field.name assert torch.equal(getattr(matrix1, field), getattr(matrix2, field)) def assert_rotation_matrix_close( mat1: rotation_matrix.Rot3Array, mat2: rotation_matrix.Rot3Array ): assert torch.allclose(mat1.to_tensor(), mat2.to_tensor(), atol=1e-6) def assert_array_equal_to_rotation_matrix( array: torch.Tensor, matrix: rotation_matrix.Rot3Array ): """Check that array and Matrix match.""" assert torch.equal(matrix.xx, array[..., 0, 0]) assert torch.equal(matrix.xy, array[..., 0, 1]) assert torch.equal(matrix.xz, array[..., 0, 2]) assert torch.equal(matrix.yx, array[..., 1, 0]) assert torch.equal(matrix.yy, array[..., 1, 1]) assert torch.equal(matrix.yz, array[..., 1, 2]) assert torch.equal(matrix.zx, array[..., 2, 0]) assert torch.equal(matrix.zy, array[..., 2, 1]) assert torch.equal(matrix.zz, array[..., 2, 2]) def assert_array_close_to_rotation_matrix( array: torch.Tensor, matrix: rotation_matrix.Rot3Array ): assert torch.allclose(matrix.to_tensor(), array, atol=1e-6) def assert_vectors_equal(vec1: vector.Vec3Array, vec2: vector.Vec3Array): assert torch.equal(vec1.x, vec2.x) assert torch.equal(vec1.y, vec2.y) assert torch.equal(vec1.z, vec2.z) def assert_vectors_close(vec1: vector.Vec3Array, vec2: vector.Vec3Array): assert torch.allclose(vec1.x, vec2.x, atol=1e-6, rtol=0.0) assert torch.allclose(vec1.y, vec2.y, atol=1e-6, rtol=0.0) assert torch.allclose(vec1.z, vec2.z, atol=1e-6, rtol=0.0) def assert_array_close_to_vector(array: torch.Tensor, vec: vector.Vec3Array): assert torch.allclose(vec.to_tensor(), array, atol=1e-6, rtol=0.0) def assert_array_equal_to_vector(array: torch.Tensor, vec: vector.Vec3Array): assert torch.equal(vec.to_tensor(), 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)