Source Code for Module test_suite.unit_tests._lib._structure.test_pdb_write

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2008-2013 Edward d'Auvergne                                   # 
  4  #                                                                             # 
  5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
  6  #                                                                             # 
  7  # This program is free software: you can redistribute it and/or modify        # 
  8  # it under the terms of the GNU General Public License as published by        # 
  9  # the Free Software Foundation, either version 3 of the License, or           # 
 10  # (at your option) any later version.                                         # 
 11  #                                                                             # 
 12  # This program is distributed in the hope that it will be useful,             # 
 13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
 14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
 15  # GNU General Public License for more details.                                # 
 16  #                                                                             # 
 17  # You should have received a copy of the GNU General Public License           # 
 18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
 19  #                                                                             # 
 20  ############################################################################### 
 21   
 22  # relax module imports. 
 23  from lib.structure import pdb_write 
 24  from lib.io import DummyFileObject 
 25  from test_suite.unit_tests.base_classes import UnitTestCase 
 26   
 27   
 28 -class Test_pdb_write(UnitTestCase): 
 29      """Unit tests for the functions of the 'lib.structure.pdb_write' module.""" 
 30   
 31 -    def test_atom(self): 
 32          """Test the lib.structure.pdb_write.atom() function.""" 
 33   
 34          # A dummy file to write to. 
 35          file = DummyFileObject() 
 36   
 37          # Create the PDB record. 
 38          pdb_write.atom(file, serial=158, name='CG', res_name='GLU', res_seq='11', x=9.59, y=-1.041, z=-11.596, occupancy=1.0, temp_factor=0.0, element='C') 
 39   
 40          # Test the record. 
 41          records = file.readlines() 
 42          actual = 'ATOM    158 CG   GLU    11       9.590  -1.041 -11.596  1.00  0.00           C  \n' 
 43          print(repr(records[0])) 
 44          print(repr(actual)) 
 45          self.assertEqual(records[0], actual) 
 46   
 47   
 48 -    def test_helix(self): 
 49          """Test the lib.structure.pdb_write.helix() function.""" 
 50   
 51          # A dummy file to write to. 
 52          file = DummyFileObject() 
 53   
 54          # Create the PDB record. 
 55          pdb_write.helix(file, ser_num=1, helix_id='H1', init_res_name='ILE', init_chain_id='A', init_seq_num=23, init_icode=None, end_res_name='GLU', end_chain_id='A', end_seq_num=34, end_icode=None, helix_class=1, comment=None, length=12) 
 56   
 57          # Test the record. 
 58          records = file.readlines() 
 59          actual = 'HELIX    1  H1 ILE A   23  GLU A   34  1                                  12    \n' 
 60          print(repr(records[0])) 
 61          print(repr(actual)) 
 62          self.assertEqual(records[0], actual) 
 63   
 64   
 65 -    def test_het(self): 
 66          """Test the lib.structure.pdb_write.het() function.""" 
 67   
 68          # A dummy file to write to. 
 69          file = DummyFileObject() 
 70   
 71          # Create the PDB record. 
 72          pdb_write.het(file, het_id='CA', chain_id='A', seq_num=1000, icode=None, num_het_atoms=1, text=None) 
 73   
 74          # Test the record. 
 75          records = file.readlines() 
 76          actual = 'HET     CA  A1000       1                                                       \n' 
 77          print(repr(records[0])) 
 78          print(repr(actual)) 
 79          self.assertEqual(records[0], actual) 
 80   
 81   
 82 -    def test_model(self): 
 83          """Test the lib.structure.pdb_write.model() function.""" 
 84   
 85          # A dummy file to write to. 
 86          file = DummyFileObject() 
 87   
 88          # Create the PDB record. 
 89          pdb_write.model(file, serial=1) 
 90   
 91          # Test the record. 
 92          records = file.readlines() 
 93          actual = 'MODEL        1                                                                  \n' 
 94          print(repr(records[0])) 
 95          print(repr(actual)) 
 96          self.assertEqual(records[0], actual) 
 97   
 98   
 99 -    def test_sheet(self): 
100          """Test the lib.structure.pdb_write.sheet() function.""" 
101   
102          # A dummy file to write to. 
103          file = DummyFileObject() 
104   
105          # Create the PDB record. 
106          pdb_write.sheet(file, strand=1, sheet_id='BET', num_strands=5, init_res_name='GLY', init_chain_id='A', init_seq_num=10, init_icode=None, end_res_name='VAL', end_chain_id='A', end_seq_num=17, end_icode=None, sense=0, cur_atom=None, cur_res_name=None, cur_chain_id=None, cur_res_seq=None, cur_icode=None, prev_atom=None, prev_res_name=None, prev_chain_id=None, prev_res_seq=None, prev_icode=None) 
107   
108          # Test the record. 
109          records = file.readlines() 
110          actual = 'SHEET    1 BET 5 GLY A  10  VAL A  17  0                                        \n' 
111          print(repr(records[0])) 
112          print(repr(actual)) 
113          self.assertEqual(records[0], actual) 
114