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1 ############################################################################### 2 # # 3 # Copyright (C) 2006 Chris MacRaild # 4 # Copyright (C) 2007-2008 Sebastien Morin # 5 # Copyright (C) 2010-2012 Edward d'Auvergne # 6 # # 7 # This file is part of the program relax. # 8 # # 9 # relax is free software; you can redistribute it and/or modify # 10 # it under the terms of the GNU General Public License as published by # 11 # the Free Software Foundation; either version 2 of the License, or # 12 # (at your option) any later version. # 13 # # 14 # relax is distributed in the hope that it will be useful, # 15 # but WITHOUT ANY WARRANTY; without even the implied warranty of # 16 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # 17 # GNU General Public License for more details. # 18 # # 19 # You should have received a copy of the GNU General Public License # 20 # along with relax; if not, write to the Free Software # 21 # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # 22 # # 23 ############################################################################### 24 25 # Python module imports. 26 from os import sep 27 import sys 28 29 # relax module imports. 30 from base_classes import SystemTestCase 31 from data import Relax_data_store; ds = Relax_data_store() 32 from generic_fns.mol_res_spin import residue_loop 33 from physical_constants import N15_CSA, NH_BOND_LENGTH 34 from status import Status; status = Status() 35 3638 """Class for testing various aspects specific to consistency testing.""" 39 409242 """Set up for all the functional tests.""" 43 44 # Create the data pipe. 45 self.interpreter.pipe.create('ct', 'ct')46 4749 """The consistency testing calculation test.""" 50 51 # Execute the script. 52 self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'consistency_tests_calc_test.py') 53 54 # Correct consistency functions values. 55 j0 = [4.0703318681008998e-09, 3.7739393907014834e-09] 56 f_eta = [0.20413244790407614, 0.18898977395296815] 57 f_r2 = [2.0482909381655862e-09, 1.8998154021753067e-09] 58 59 # Loop over residues. 60 index = 0 61 for res in residue_loop(): 62 # Residues -2 and -1 have data. 63 if res.num == -2 or res.num == -1: 64 self.assert_(res.spin[0].select) 65 self.assertAlmostEqual(res.spin[0].j0, j0[index]) 66 self.assertAlmostEqual(res.spin[0].f_eta, f_eta[index]) 67 self.assertAlmostEqual(res.spin[0].f_r2, f_r2[index]) 68 index = index + 1 69 70 # Other residues have insufficient data. 71 else: 72 self.assert_(not res.spin[0].select)73 7476 """The user function value.set().""" 77 78 # Execute the script. 79 self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'consistency_tests_set_value.py') 80 81 # Loop over residues. 82 for res in residue_loop(): 83 self.assertAlmostEqual(res.spin[0].r, NH_BOND_LENGTH) 84 self.assertAlmostEqual(res.spin[0].csa, N15_CSA)85 86
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