From 19c722f0f82a17fe3a0fe70030a1c5e47509157a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Fa=CC=81bio=20Madeira?= Date: Tue, 26 Sep 2017 16:56:07 +0100 Subject: [PATCH] Removed unused method and tests. --- prointvar/pdbx.py | 31 ------------------------------- tests/test_pdbx.py | 35 ++--------------------------------- 2 files changed, 2 insertions(+), 64 deletions(-) diff --git a/prointvar/pdbx.py b/prointvar/pdbx.py index b55eaef..7699710 100644 --- a/prointvar/pdbx.py +++ b/prointvar/pdbx.py @@ -553,37 +553,6 @@ def add_mmcif_res_full(data): return table -def get_mmcif_res_split(data): - """ - Utility that adds new columns to the table. - Adds new columns from the 'full res' (i.e. seq_id + ins_code). - - adds: 'label_seq_id', 'auth_seq_id', and 'pdbx_PDB_ins_code' - - :param data: pandas DataFrame object - :return: returns a modified pandas DataFrame - """ - - table = data - seq_ids = [] - ins_codes = [] - for i in table.index: - values = string_split(table.loc[i, "label_seq_id_full"]) - if len(values) == 1: - values.append('?') - elif len(values) == 2 and values[0] == '-': - values = ["".join(values), '?'] - elif len(values) == 3 and values[0] == '-': - values = ["".join(values[0] + values[1]), values[2]] - seq_ids.append(values[0]) - ins_codes.append(values[1]) - table["label_seq_id"] = seq_ids - table["auth_seq_id"] = seq_ids - table["pdbx_PDB_ins_code"] = ins_codes - - return table - - def fix_pdb_ins_code(data): """ Utility that fixes the 'pdbx_PDB_ins_code' column to match is expected diff --git a/tests/test_pdbx.py b/tests/test_pdbx.py index c5c00dd..9509eda 100644 --- a/tests/test_pdbx.py +++ b/tests/test_pdbx.py @@ -23,7 +23,7 @@ write_mmcif_from_table, get_mmcif_selected_from_table, get_contact_indexes_from_table, add_mmcif_contacts, add_mmcif_res_full, parse_pdb_atoms_from_file, - get_mmcif_res_split, get_atom_line, write_pdb_from_table, + get_atom_line, write_pdb_from_table, add_mmcif_atom_altloc, residues_aggregation, remove_multiple_altlocs, add_mmcif_new_pro_ids, remove_partial_residues, get_coordinates, get_sequence, @@ -65,7 +65,6 @@ def setUp(self): self.parser_categories = parse_mmcif_categories_from_file self.add_contacts = add_mmcif_contacts self.add_res_full = add_mmcif_res_full - self.get_mmcif_res_split = get_mmcif_res_split self.write_pdb_from_table = write_pdb_from_table self.get_atom_line = get_atom_line self.add_mmcif_atom_altloc = add_mmcif_atom_altloc @@ -106,7 +105,6 @@ def tearDown(self): self.parser_categories = None self.add_contacts = None self.add_res_full = None - self.get_mmcif_res_split = None self.write_pdb_from_table = None self.get_atom_line = None self.add_mmcif_atom_altloc = None @@ -476,36 +474,6 @@ def test_read_pdb(self): else: raise IOError("%s" % self.inputpdb) - def test_get_res_split(self): - if os.path.isfile(self.inputpdb): - data = self.parser_pdb(self.inputpdb) - data = self.get_mmcif_res_split(data) - self.assertIn('label_seq_id_full', [k for k in data]) - self.assertIn('label_seq_id', [k for k in data]) - self.assertIn('auth_seq_id', [k for k in data]) - self.assertIn('pdbx_PDB_ins_code', [k for k in data]) - self.assertEqual('118', data.loc[0, 'label_seq_id_full']) - self.assertEqual('118', data.loc[0, 'label_seq_id']) - self.assertEqual('118', data.loc[0, 'auth_seq_id']) - self.assertEqual('?', data.loc[0, 'pdbx_PDB_ins_code']) - self.assertEqual('.', data.loc[0, 'label_alt_id']) - else: - raise IOError("%s" % self.inputpdb) - - def test_get_res_split_various(self): - data = pd.DataFrame([{'label_seq_id_full': '1'}]) - data = self.get_mmcif_res_split(data) - self.assertEqual('1', data.loc[0, 'label_seq_id']) - self.assertEqual('?', data.loc[0, 'pdbx_PDB_ins_code']) - data = pd.DataFrame([{'label_seq_id_full': '-10'}]) - data = self.get_mmcif_res_split(data) - self.assertEqual('-10', data.loc[0, 'label_seq_id']) - self.assertEqual('?', data.loc[0, 'pdbx_PDB_ins_code']) - data = pd.DataFrame([{'label_seq_id_full': '-100A'}]) - data = self.get_mmcif_res_split(data) - self.assertEqual('-100', data.loc[0, 'label_seq_id']) - self.assertEqual('A', data.loc[0, 'pdbx_PDB_ins_code']) - def test_parse_pdb_altloc(self): if os.path.isfile(self.inputpdb2): data = self.parser_pdb(self.inputpdb2, remove_altloc=False) @@ -660,6 +628,7 @@ def test_get_real_residue_ranges(self): self.assertEqual(ends, ('136', '452')) self.assertEqual(end_inscodes, ('?', '?')) + if __name__ == '__main__': logging.basicConfig(stream=sys.stderr) logging.getLogger("prointvar").setLevel(logging.DEBUG)