Source Code for Module test_suite.system_tests.grace

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2008-2012 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  # Python module imports. 
 23  from os import sep 
 24  from re import search 
 25  from tempfile import mktemp 
 26   
 27  # relax module imports. 
 28  from status import Status; status = Status() 
 29  from test_suite.system_tests.base_classes import SystemTestCase 
 30   
 31   
 32 -class Grace(SystemTestCase): 
 33      """Class for testing the creation of grace plots.""" 
 34   
 35 -    def setUp(self): 
 36          """Common set up for these system tests.""" 
 37   
 38          # Create a temporary grace file name. 
 39          self.tmpfile = mktemp() 
 40   
 41   
 42 -    def test_cam_kkalpha_plot1(self): 
 43          """Test the plotting of the 15N data from the CaM-KKalpha save state.""" 
 44   
 45          # Load the state. 
 46          self.interpreter.state.load('state_cam_kkalpha', dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'saved_states') 
 47   
 48          # Create the plot. 
 49          self.interpreter.grace.write('res_num', 's2', file=self.tmpfile, spin_id='@N', dir=None) 
 50   
 51          # Read the file data. 
 52          file = open(self.tmpfile) 
 53          lines = file.readlines() 
 54          file.close() 
 55   
 56          # Init the data. 
 57          spin = [] 
 58          value = [] 
 59          error = [] 
 60   
 61          # Check the data. 
 62          in_data = False 
 63          for i in range(len(lines)): 
 64              # Start of the first plot. 
 65              if search('G0.S0', lines[i]): 
 66                  in_data=True 
 67                  continue 
 68   
 69              # No in the data range. 
 70              if not in_data: 
 71                  continue 
 72   
 73              # Skip the first @ line. 
 74              if search('^@', lines[i]): 
 75                  continue 
 76   
 77              # The end. 
 78              if search('^&', lines[i]): 
 79                  break 
 80   
 81              # Split up the data. 
 82              row = lines[i].split() 
 83   
 84              # Store the data. 
 85              spin.append(float(row[0])) 
 86              value.append(float(row[1])) 
 87              error.append(float(row[2])) 
 88   
 89          # The real data. 
 90          real_data = [ 
 91              [2,  0.693, 0.005], 
 92              [3,  0.400, 0.000], 
 93              [4,  0.882, 0.008], 
 94              [5,  0.901, 0.001], 
 95              [6,  0.953, 0.014], 
 96              [7,  0.905, 0.000], 
 97              [8,  0.939, 0.007], 
 98              [9,  0.948, 0.003], 
 99              [10, 0.957, 0.004] 
100          ] 
101   
102          # Check the data length. 
103          self.assertEqual(len(real_data), len(spin)) 
104   
105          # Check the data. 
106          for i in range(len(real_data)): 
107              self.assertEqual(float(real_data[i][0]), spin[i]) 
108              self.assertAlmostEqual(real_data[i][1], value[i]) 
109              self.assertAlmostEqual(real_data[i][2], error[i]) 
110