#!/usr/bin/env python3 """ Copyright 2018 EMBL - European Bioinformatics Institute 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. """ import json from unittest import TestCase from validator.residue_index import CheckResidueIndices with open("data/test_data.json", "r") as mock_data_file: mock_data = json.load(mock_data_file) mock_data_no_pdb_id = {"foo": "bar"} mock_data_bad_numbering = {"pdb_id": "2aqa", "chains": [{"chain_label": "A", "residues": [{"pdb_res_label": "2", "aa_type": "ALA"}]}]} def mock_get_residue_numbering_false(self): return False def mock_get_residue_numbering_true(self): return True def mock_compare_residue_number(self, foo, bar): return False class TestCheckResidueIndices(TestCase): def setUp(self): self.cri = CheckResidueIndices(mock_data) def test_loop_chains(self): self.cri._get_residue_numbering = mock_get_residue_numbering_false result = self.cri.check_every_residue() self.assertFalse(result) self.cri._get_residue_numbering = mock_get_residue_numbering_true result = self.cri.check_every_residue() self.assertTrue(result) self.cri.pdb_id = None self.assertFalse(self.cri.check_every_residue()) def test_set_pdb_id(self): self.assertIsNotNone(self.cri._set_pdb_id()) bad_cri = CheckResidueIndices(mock_data_no_pdb_id) self.assertIsNone(bad_cri._set_pdb_id()) def test_check_numbering(self): result = self.cri._check_numbering({}, {}) self.assertFalse(result) self.cri._compare_residue_number = mock_compare_residue_number result = self.cri._check_numbering({}, {"residues": [{"pdb_res_label": 0, "aa_type": "ALA"}]}) self.assertFalse(result) def test_get_residue_numbering(self): mock_data = {"chain_label": "A"} self.cri.pdb_id = "1CBS" self.cri._check_numbering = lambda x, y : True result = self.cri._get_residue_numbering(mock_data) self.assertTrue(result) self.cri.pdb_id = "2H58" result = self.cri._get_residue_numbering(mock_data) self.assertFalse(result) def test_recursive_loop(self): result = self.cri._recursive_loop([{"foo": "bar"}], "foo", None, None) self.assertFalse(result) def test_with_bad_numbering(self): cri_with_bad_numbering = CheckResidueIndices(mock_data_bad_numbering) result = cri_with_bad_numbering.check_every_residue() self.assertFalse(result) def test_process_residues(self): result = self.cri._process_residues( [{"author_residue_number": 1, "residue_name": "ALA", "author_insertion_code": ""}], "1", "ALA") self.assertTrue(result) result = self.cri._process_residues( [{"author_residue_number": 1, "residue_name": "ALA", "author_insertion_code": "C"}], "1C", "ALA") self.assertTrue(result) result = self.cri._process_residues( [{"author_residue_number": 2, "residue_name": "ALA", "author_insertion_code": ""}], "1", "ALA") self.assertFalse(result) result = self.cri._process_residues( [{"author_residue_number": 1, "residue_name": "ALA", "author_insertion_code": ""}], "1", "HIS") self.assertFalse(result)