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1 ############################################################################### 2 # # 3 # Copyright (C) 2012 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 # Module docstring. 23 """System tests of the interatomic data container operations.""" 24 25 26 # Python module imports. 27 from os import sep 28 29 # relax module imports. 30 from data import Relax_data_store; ds = Relax_data_store() 31 from status import Status; status = Status() 32 from test_suite.system_tests.base_classes import SystemTestCase 33 3436 """Class for testing the interatomic functions.""" 375539 """Test the manipulation of interatomic data containers.""" 40 41 # Execute the script. 42 self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'interatomic_tests.py') 43 44 # The data. 45 select = [True, False] + [True]*3 + [False]*2 + [True]*5 + [False]*2 + [True, False] 46 47 # Check the data. 48 self.assertEqual(len(cdp.interatomic), 16) 49 for i in range(len(cdp.interatomic)): 50 # A printout to know where the problem is. 51 print("Checking container: %-30s %-30s" % (cdp.interatomic[i].spin_id1, cdp.interatomic[i].spin_id2)) 52 53 # The container checks. 54 self.assertEqual(cdp.interatomic[i].select, select[i])
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