Source Code for Module test_suite.unit_tests._prompt.test_minimisation

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2008, 2010 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 unittest import TestCase 
 25   
 26  # relax module imports. 
 27  from prompt.minimisation import Minimisation 
 28  from relax_errors import RelaxError, RelaxBoolError, RelaxIntError, RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError, RelaxNoneListNumError, RelaxNoneNumError, RelaxNumError, RelaxStrError 
 29  from test_suite.unit_tests.minimisation_testing_base import Minimisation_base_class 
 30   
 31  # Unit test imports. 
 32  from data_types import DATA_TYPES 
 33   
 34   
 35 -class Test_minimisation(Minimisation_base_class, TestCase): 
 36      """Unit tests for the functions of the 'prompt.minimisation' module.""" 
 37   
 38      # Instantiate the user function class. 
 39      minimisation_fns = Minimisation() 
 40   
 41   
 42 -    def test_calc_argfail_verbosity(self): 
 43          """The verbosity arg test of the calc() user function.""" 
 44   
 45          # Loop over the data types. 
 46          for data in DATA_TYPES: 
 47              # Catch the int and bin arguments, and skip them. 
 48              if data[0] == 'int' or data[0] == 'bin': 
 49                  continue 
 50   
 51              # The argument test. 
 52              self.assertRaises(RelaxIntError, self.minimisation_fns.calc, verbosity=data[1]) 
 53   
 54   
 55 -    def test_grid_search_argfail_lower(self): 
 56          """The lower arg test of the grid_search() user function.""" 
 57   
 58          # Loop over the data types. 
 59          for data in DATA_TYPES: 
 60              # Catch the None and int, float, and number list arguments arguments, and skip them. 
 61              if data[0] == 'None' or data[0] == 'int list' or data[0] == 'float list' or data[0] == 'number list': 
 62                  continue 
 63   
 64              # The argument test. 
 65              self.assertRaises(RelaxNoneListNumError, self.minimisation_fns.grid_search, lower=data[1]) 
 66   
 67   
 68 -    def test_grid_search_argfail_upper(self): 
 69          """The upper arg test of the grid_search() user function.""" 
 70   
 71          # Loop over the data types. 
 72          for data in DATA_TYPES: 
 73              # Catch the None and int, float, and number list arguments arguments, and skip them. 
 74              if data[0] == 'None' or data[0] == 'int list' or data[0] == 'float list' or data[0] == 'number list': 
 75                  continue 
 76   
 77              # The argument test. 
 78              self.assertRaises(RelaxNoneListNumError, self.minimisation_fns.grid_search, upper=data[1]) 
 79   
 80   
 81 -    def test_grid_search_argfail_inc(self): 
 82          """The inc arg test of the grid_search() user function.""" 
 83   
 84          # Loop over the data types. 
 85          for data in DATA_TYPES: 
 86              # Catch the bin, int, and interger list arguments, and skip them. 
 87              if data[0] == 'bin' or data[0] == 'int' or data[0] == 'int list' or data[0] == 'none list': 
 88                  continue 
 89   
 90              # The argument test. 
 91              self.assertRaises(RelaxIntListIntError, self.minimisation_fns.grid_search, inc=data[1]) 
 92   
 93   
 94 -    def test_grid_search_argfail_constraints(self): 
 95          """The constraints arg test of the grid_search() user function.""" 
 96   
 97          # Loop over the data types. 
 98          for data in DATA_TYPES: 
 99              # Catch the bool arguments, and skip them. 
100              if data[0] == 'bool': 
101                  continue 
102   
103              # The argument test. 
104              self.assertRaises(RelaxBoolError, self.minimisation_fns.grid_search, constraints=data[1]) 
105   
106   
107 -    def test_grid_search_argfail_verbosity(self): 
108          """The verbosity arg test of the grid_search() user function.""" 
109   
110          # Loop over the data types. 
111          for data in DATA_TYPES: 
112              # Catch the int and bin arguments, and skip them. 
113              if data[0] == 'int' or data[0] == 'bin': 
114                  continue 
115   
116              # The argument test. 
117              self.assertRaises(RelaxIntError, self.minimisation_fns.grid_search, verbosity=data[1]) 
118   
119   
120 -    def test_minimise_argfail_args(self): 
121          """The test of the arguments of the minimise() user function.""" 
122   
123          # No arguments. 
124          self.assertRaises(RelaxNoneError, self.minimisation_fns.minimise) 
125   
126          # Loop over the data types. 
127          for data in DATA_TYPES: 
128              # Catch the str arguments, and skip them. 
129              if data[0] == 'str': 
130                  continue 
131   
132              # The argument test. 
133              self.assertRaises(RelaxStrError, self.minimisation_fns.minimise, data[1]) 
134              self.assertRaises(RelaxStrError, self.minimisation_fns.minimise, 'a', data[1]) 
135              self.assertRaises(RelaxStrError, self.minimisation_fns.minimise, 'a', 'b', data[1]) 
136   
137   
138 -    def test_minimise_argfail_bad_keyword(self): 
139          """The test of a bad keyword argument in the minimise() user function.""" 
140   
141          # Loop over the data types. 
142          for data in DATA_TYPES: 
143              # The argument test. 
144              self.assertRaises(RelaxError, self.minimisation_fns.minimise, 'Newton', step_tol=data[1]) 
145   
146   
147 -    def test_minimise_argfail_func_tol(self): 
148          """The func_tol arg test of the minimise() user function.""" 
149   
150          # Loop over the data types. 
151          for data in DATA_TYPES: 
152              # Catch the float, bin, and int arguments, and skip them. 
153              if data[0] == 'float' or data[0] == 'bin' or data[0] == 'int': 
154                  continue 
155   
156              # The argument test. 
157              self.assertRaises(RelaxNumError, self.minimisation_fns.minimise, 'Newton', func_tol=data[1]) 
158   
159   
160 -    def test_minimise_argfail_grad_tol(self): 
161          """The grad_tol arg test of the minimise() user function.""" 
162   
163          # Loop over the data types. 
164          for data in DATA_TYPES: 
165              # Catch the None, float, bin, and int arguments, and skip them. 
166              if data[0] == 'None' or data[0] == 'float' or data[0] == 'bin' or data[0] == 'int': 
167                  continue 
168   
169              # The argument test. 
170              self.assertRaises(RelaxNoneNumError, self.minimisation_fns.minimise, 'Newton', grad_tol=data[1]) 
171   
172   
173 -    def test_minimise_argfail_max_iterations(self): 
174          """The max_iterations arg test of the minimise() user function.""" 
175   
176          # Loop over the data types. 
177          for data in DATA_TYPES: 
178              # Catch the bin and int arguments, and skip them. 
179              if data[0] == 'bin' or data[0] == 'int': 
180                  continue 
181   
182              # The argument test. 
183              self.assertRaises(RelaxIntError, self.minimisation_fns.minimise, 'Newton', max_iterations=data[1]) 
184   
185   
186 -    def test_minimise_argfail_constraints(self): 
187          """The constraints arg test of the minimise() user function.""" 
188   
189          # Loop over the data types. 
190          for data in DATA_TYPES: 
191              # Catch the bool arguments, and skip them. 
192              if data[0] == 'bool': 
193                  continue 
194   
195              # The argument test. 
196              self.assertRaises(RelaxBoolError, self.minimisation_fns.minimise, 'Newton', constraints=data[1]) 
197   
198   
199 -    def test_minimise_argfail_scaling(self): 
200          """The scaling arg test of the minimise() user function.""" 
201   
202          # Loop over the data types. 
203          for data in DATA_TYPES: 
204              # Catch the bool arguments, and skip them. 
205              if data[0] == 'bool': 
206                  continue 
207   
208              # The argument test. 
209              self.assertRaises(RelaxBoolError, self.minimisation_fns.minimise, 'Newton', scaling=data[1]) 
210   
211   
212 -    def test_minimise_argfail_verbosity(self): 
213          """The verbosity arg test of the minimise() user function.""" 
214   
215          # Loop over the data types. 
216          for data in DATA_TYPES: 
217              # Catch the bin and int arguments, and skip them. 
218              if data[0] == 'bin' or data[0] == 'int': 
219                  continue 
220   
221              # The argument test. 
222              self.assertRaises(RelaxIntError, self.minimisation_fns.minimise, 'Newton', verbosity=data[1]) 
223