Source Code for Module test_suite.unit_tests._prompt.test_minimisation

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  2  #                                                                             # 
  3  # Copyright (C) 2008-2012 Edward d'Auvergne                                   # 
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 21  ############################################################################### 
 22   
 23  # Python module imports. 
 24  from unittest import TestCase 
 25   
 26  # relax module imports. 
 27  from prompt.interpreter import Interpreter 
 28  from relax_errors import RelaxError, RelaxBoolError, RelaxIntError, RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError, RelaxNoneListNumError, RelaxNoneNumError, RelaxNoneStrError, RelaxNumError, RelaxStrError 
 29  from test_suite.unit_tests.minimisation_testing_base import Minimisation_base_class 
 30   
 31  # Unit test imports. 
 32  from container import Container 
 33  from data_types import DATA_TYPES 
 34   
 35   
 36 -class Test_minimisation(Minimisation_base_class, TestCase): 
 37      """Unit tests for the functions of the 'prompt.minimisation' module.""" 
 38   
 39 -    def __init__(self, methodName=None): 
 40          """Set up the test case class for the system tests.""" 
 41   
 42          # Execute the base __init__ methods. 
 43          super(Test_minimisation, self).__init__(methodName) 
 44   
 45          # Load the interpreter. 
 46          self.interpreter = Interpreter(show_script=False, quit=False, raise_relax_error=True) 
 47          self.interpreter.populate_self() 
 48          self.interpreter.on(verbose=False) 
 49   
 50          # Place the user functions into a container. 
 51          self.minimisation_fns = Container() 
 52          self.minimisation_fns.calc = self.interpreter.calc 
 53          self.minimisation_fns.grid_search = self.interpreter.grid_search 
 54          self.minimisation_fns.minimise = self.interpreter.minimise 
 55   
 56   
 57 -    def test_calc_argfail_verbosity(self): 
 58          """The verbosity arg test of the calc() user function.""" 
 59   
 60          # Loop over the data types. 
 61          for data in DATA_TYPES: 
 62              # Catch the int and bin arguments, and skip them. 
 63              if data[0] == 'int' or data[0] == 'bin': 
 64                  continue 
 65   
 66              # The argument test. 
 67              self.assertRaises(RelaxIntError, self.minimisation_fns.calc, verbosity=data[1]) 
 68   
 69   
 70 -    def test_grid_search_argfail_lower(self): 
 71          """The lower arg test of the grid_search() user function.""" 
 72   
 73          # Loop over the data types. 
 74          for data in DATA_TYPES: 
 75              # Catch the None and int, float, and number list arguments arguments, and skip them. 
 76              if data[0] == 'None' or data[0] == 'int list' or data[0] == 'float list' or data[0] == 'number list': 
 77                  continue 
 78   
 79              # The argument test. 
 80              self.assertRaises(RelaxNoneListNumError, self.minimisation_fns.grid_search, lower=data[1]) 
 81   
 82   
 83 -    def test_grid_search_argfail_upper(self): 
 84          """The upper arg test of the grid_search() user function.""" 
 85   
 86          # Loop over the data types. 
 87          for data in DATA_TYPES: 
 88              # Catch the None and int, float, and number list arguments arguments, and skip them. 
 89              if data[0] == 'None' or data[0] == 'int list' or data[0] == 'float list' or data[0] == 'number list': 
 90                  continue 
 91   
 92              # The argument test. 
 93              self.assertRaises(RelaxNoneListNumError, self.minimisation_fns.grid_search, upper=data[1]) 
 94   
 95   
 96 -    def test_grid_search_argfail_inc(self): 
 97          """The inc arg test of the grid_search() user function.""" 
 98   
 99          # Loop over the data types. 
100          for data in DATA_TYPES: 
101              # Catch the bin, int, and interger list arguments, and skip them. 
102              if data[0] == 'bin' or data[0] == 'int' or data[0] == 'int list' or data[0] == 'none list': 
103                  continue 
104   
105              # The argument test. 
106              self.assertRaises(RelaxIntListIntError, self.minimisation_fns.grid_search, inc=data[1]) 
107   
108   
109 -    def test_grid_search_argfail_constraints(self): 
110          """The constraints arg test of the grid_search() user function.""" 
111   
112          # Loop over the data types. 
113          for data in DATA_TYPES: 
114              # Catch the bool arguments, and skip them. 
115              if data[0] == 'bool': 
116                  continue 
117   
118              # The argument test. 
119              self.assertRaises(RelaxBoolError, self.minimisation_fns.grid_search, constraints=data[1]) 
120   
121   
122 -    def test_grid_search_argfail_verbosity(self): 
123          """The verbosity arg test of the grid_search() user function.""" 
124   
125          # Loop over the data types. 
126          for data in DATA_TYPES: 
127              # Catch the int and bin arguments, and skip them. 
128              if data[0] == 'int' or data[0] == 'bin': 
129                  continue 
130   
131              # The argument test. 
132              self.assertRaises(RelaxIntError, self.minimisation_fns.grid_search, verbosity=data[1]) 
133   
134   
135 -    def test_minimise_argfail_bad_keyword(self): 
136          """The test of a bad keyword argument in the minimise() user function.""" 
137   
138          # Loop over the data types. 
139          for data in DATA_TYPES: 
140              # The argument test. 
141              self.assertRaises(RelaxError, self.minimisation_fns.minimise, 'Newton', step_tol=data[1]) 
142   
143   
144 -    def test_minimise_argfail_min_algor(self): 
145          """The min_algor arg test of the minimise() user function.""" 
146   
147          # Loop over the data types. 
148          for data in DATA_TYPES: 
149              # Catch the str argument, and skip it. 
150              if data[0] == 'str': 
151                  continue 
152   
153              # The argument test. 
154              self.assertRaises(RelaxStrError, self.minimisation_fns.minimise, data[1]) 
155   
156   
157 -    def test_minimise_argfail_line_search(self): 
158          """The line_search arg test of the minimise() user function.""" 
159   
160          # Loop over the data types. 
161          for data in DATA_TYPES: 
162              # Catch the None and str arguments, and skip them. 
163              if data[0] == 'None' or data[0] == 'str': 
164                  continue 
165   
166              # The argument test. 
167              self.assertRaises(RelaxNoneStrError, self.minimisation_fns.minimise, 'Newton', line_search=data[1]) 
168   
169   
170 -    def test_minimise_argfail_hessian_mod(self): 
171          """The hessian_mod arg test of the minimise() user function.""" 
172   
173          # Loop over the data types. 
174          for data in DATA_TYPES: 
175              # Catch the None and str arguments, and skip them. 
176              if data[0] == 'None' or data[0] == 'str': 
177                  continue 
178   
179              # The argument test. 
180              self.assertRaises(RelaxNoneStrError, self.minimisation_fns.minimise, 'Newton', hessian_mod=data[1]) 
181   
182   
183 -    def test_minimise_argfail_hessian_type(self): 
184          """The hessian_type arg test of the minimise() user function.""" 
185   
186          # Loop over the data types. 
187          for data in DATA_TYPES: 
188              # Catch the None and str arguments, and skip them. 
189              if data[0] == 'None' or data[0] == 'str': 
190                  continue 
191   
192              # The argument test. 
193              self.assertRaises(RelaxNoneStrError, self.minimisation_fns.minimise, 'Newton', hessian_type=data[1]) 
194   
195   
196 -    def test_minimise_argfail_func_tol(self): 
197          """The func_tol arg test of the minimise() user function.""" 
198   
199          # Loop over the data types. 
200          for data in DATA_TYPES: 
201              # Catch the float, bin, and int arguments, and skip them. 
202              if data[0] == 'float' or data[0] == 'bin' or data[0] == 'int': 
203                  continue 
204   
205              # The argument test. 
206              self.assertRaises(RelaxNumError, self.minimisation_fns.minimise, 'Newton', func_tol=data[1]) 
207   
208   
209 -    def test_minimise_argfail_grad_tol(self): 
210          """The grad_tol arg test of the minimise() user function.""" 
211   
212          # Loop over the data types. 
213          for data in DATA_TYPES: 
214              # Catch the None, float, bin, and int arguments, and skip them. 
215              if data[0] == 'None' or data[0] == 'float' or data[0] == 'bin' or data[0] == 'int': 
216                  continue 
217   
218              # The argument test. 
219              self.assertRaises(RelaxNoneNumError, self.minimisation_fns.minimise, 'Newton', grad_tol=data[1]) 
220   
221   
222 -    def test_minimise_argfail_max_iter(self): 
223          """The max_iter arg test of the minimise() user function.""" 
224   
225          # Loop over the data types. 
226          for data in DATA_TYPES: 
227              # Catch the bin and int arguments, and skip them. 
228              if data[0] == 'bin' or data[0] == 'int': 
229                  continue 
230   
231              # The argument test. 
232              self.assertRaises(RelaxIntError, self.minimisation_fns.minimise, 'Newton', max_iter=data[1]) 
233   
234   
235 -    def test_minimise_argfail_constraints(self): 
236          """The constraints arg test of the minimise() user function.""" 
237   
238          # Loop over the data types. 
239          for data in DATA_TYPES: 
240              # Catch the bool arguments, and skip them. 
241              if data[0] == 'bool': 
242                  continue 
243   
244              # The argument test. 
245              self.assertRaises(RelaxBoolError, self.minimisation_fns.minimise, 'Newton', constraints=data[1]) 
246   
247   
248 -    def test_minimise_argfail_scaling(self): 
249          """The scaling arg test of the minimise() user function.""" 
250   
251          # Loop over the data types. 
252          for data in DATA_TYPES: 
253              # Catch the bool arguments, and skip them. 
254              if data[0] == 'bool': 
255                  continue 
256   
257              # The argument test. 
258              self.assertRaises(RelaxBoolError, self.minimisation_fns.minimise, 'Newton', scaling=data[1]) 
259   
260   
261 -    def test_minimise_argfail_verbosity(self): 
262          """The verbosity arg test of the minimise() user function.""" 
263   
264          # Loop over the data types. 
265          for data in DATA_TYPES: 
266              # Catch the bin and int arguments, and skip them. 
267              if data[0] == 'bin' or data[0] == 'int': 
268                  continue 
269   
270              # The argument test. 
271              self.assertRaises(RelaxIntError, self.minimisation_fns.minimise, 'Newton', verbosity=data[1]) 
272