Source Code for Module test_suite.system_tests.grace

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2008-2011 Edward d'Auvergne                                   # 
  4  #                                                                             # 
  5  # This file is part of the program relax.                                     # 
  6  #                                                                             # 
  7  # relax 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 2 of the License, or           # 
 10  # (at your option) any later version.                                         # 
 11  #                                                                             # 
 12  # relax 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 relax; if not, write to the Free Software                        # 
 19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
 20  #                                                                             # 
 21  ############################################################################### 
 22   
 23  # Python module imports. 
 24  from os import sep 
 25  from re import search 
 26  from string import split 
 27  from tempfile import mktemp 
 28   
 29  # relax module imports. 
 30  from base_classes import SystemTestCase 
 31  from status import Status; status = Status() 
 32   
 33   
 34 -class Grace(SystemTestCase): 
 35      """Class for testing the creation of grace plots.""" 
 36   
 37 -    def setUp(self): 
 38          """Common set up for these system tests.""" 
 39   
 40          # Create a temporary grace file name. 
 41          self.tmpfile = mktemp() 
 42   
 43   
 44 -    def test_cam_kkalpha_plot1(self): 
 45          """Test the plotting of the 15N data from the CaM-KKalpha save state.""" 
 46   
 47          # Load the state. 
 48          self.interpreter.state.load('state_cam_kkalpha', dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'saved_states') 
 49   
 50          # Create the plot. 
 51          self.interpreter.grace.write('spin', 's2', file=self.tmpfile, spin_id='@N', dir=None) 
 52   
 53          # Read the file data. 
 54          file = open(self.tmpfile) 
 55          lines = file.readlines() 
 56          file.close() 
 57   
 58          # Init the data. 
 59          spin = [] 
 60          value = [] 
 61          error = [] 
 62   
 63          # Check the data. 
 64          in_data = False 
 65          for i in range(len(lines)): 
 66              # Start of the first plot. 
 67              if search('G0.S0', lines[i]): 
 68                  in_data=True 
 69                  continue 
 70   
 71              # No in the data range. 
 72              if not in_data: 
 73                  continue 
 74   
 75              # Skip the first @ line. 
 76              if search('^@', lines[i]): 
 77                  continue 
 78   
 79              # The end. 
 80              if search('^&', lines[i]): 
 81                  break 
 82   
 83              # Split up the data. 
 84              row = split(lines[i]) 
 85   
 86              # Store the data. 
 87              spin.append(float(row[0])) 
 88              value.append(float(row[1])) 
 89              error.append(float(row[2])) 
 90   
 91          # The real data. 
 92          real_data = [ 
 93              [2,  0.693, 0.005], 
 94              [3,  0.400, 0.000], 
 95              [4,  0.882, 0.008], 
 96              [5,  0.901, 0.001], 
 97              [6,  0.953, 0.014], 
 98              [7,  0.905, 0.000], 
 99              [8,  0.939, 0.007], 
100              [9,  0.948, 0.003], 
101              [10, 0.957, 0.004] 
102          ] 
103   
104          # Check the data length. 
105          self.assertEqual(len(real_data), len(spin)) 
106   
107          # Check the data. 
108          for i in range(len(real_data)): 
109              self.assertEqual(float(real_data[i][0]), spin[i]) 
110              self.assertAlmostEqual(real_data[i][1], value[i]) 
111              self.assertAlmostEqual(real_data[i][2], error[i]) 
112