Source Code for Module test_suite.unit_tests._prompt.test_minimisation

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  2  #                                                                             # 
  3  # Copyright (C) 2008-2009,2012,2014,2019 Edward d'Auvergne                    # 
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 21   
 22  # Python module imports. 
 23  from unittest import TestCase 
 24   
 25  # relax module imports. 
 26  from prompt.interpreter import Interpreter 
 27  from lib.errors import RelaxError, RelaxBoolError, RelaxFloatError, RelaxIntError, RelaxIntListIntError, RelaxListNumError, RelaxStrError 
 28  from test_suite.unit_tests.minimisation_testing_base import Minimisation_base_class 
 29   
 30  # Unit test imports. 
 31  from test_suite.unit_tests._prompt.data_types import DATA_TYPES 
 32   
 33   
 34 -class Test_minimisation(Minimisation_base_class, TestCase): 
 35      """Unit tests for the functions of the 'prompt.minimisation' module.""" 
 36   
 37 -    def __init__(self, methodName=None): 
 38          """Set up the test case class for the system tests.""" 
 39   
 40          # Execute the base __init__ methods. 
 41          super(Test_minimisation, self).__init__(methodName) 
 42   
 43          # Load the interpreter. 
 44          self.interpreter = Interpreter(show_script=False, raise_relax_error=True) 
 45          self.interpreter.populate_self() 
 46          self.interpreter.on(verbose=False) 
 47   
 48          # Alias the user function class. 
 49          self.minimisation_fns = self.interpreter.minimise 
 50   
 51   
 52 -    def test_calc_argfail_verbosity(self): 
 53          """The verbosity arg test of the minimise.calculate() user function.""" 
 54   
 55          # Loop over the data types. 
 56          for data in DATA_TYPES: 
 57              # Catch the int and bin arguments, and skip them. 
 58              if data[0] == 'int' or data[0] == 'bin': 
 59                  continue 
 60   
 61              # The argument test. 
 62              self.assertRaises(RelaxIntError, self.minimisation_fns.calculate, verbosity=data[1]) 
 63   
 64   
 65 -    def test_grid_search_argfail_lower(self): 
 66          """The lower arg test of the minimise.grid_search() user function.""" 
 67   
 68          # Loop over the data types. 
 69          for data in DATA_TYPES: 
 70              # Catch the None and int, float, and number list arguments arguments, and skip them. 
 71              if data[0] == 'None' or data[0] == 'int list' or data[0] == 'float list' or data[0] == 'number list': 
 72                  continue 
 73   
 74              # The argument test. 
 75              self.assertRaises(RelaxListNumError, self.minimisation_fns.grid_search, lower=data[1]) 
 76   
 77   
 78 -    def test_grid_search_argfail_upper(self): 
 79          """The upper arg test of the minimise.grid_search() user function.""" 
 80   
 81          # Loop over the data types. 
 82          for data in DATA_TYPES: 
 83              # Catch the None and int, float, and number list arguments arguments, and skip them. 
 84              if data[0] == 'None' or data[0] == 'int list' or data[0] == 'float list' or data[0] == 'number list': 
 85                  continue 
 86   
 87              # The argument test. 
 88              self.assertRaises(RelaxListNumError, self.minimisation_fns.grid_search, upper=data[1]) 
 89   
 90   
 91 -    def test_grid_search_argfail_inc(self): 
 92          """The inc arg test of the minimise.grid_search() user function.""" 
 93   
 94          # Loop over the data types. 
 95          for data in DATA_TYPES: 
 96              # Catch the None, bin, int, and interger list arguments, and skip them. 
 97              if data[0] == 'None' or data[0] == 'bin' or data[0] == 'int' or data[0] == 'int list' or data[0] == 'none list': 
 98                  continue 
 99   
100              # The argument test. 
101              self.assertRaises(RelaxIntListIntError, self.minimisation_fns.grid_search, inc=data[1]) 
102   
103   
104 -    def test_grid_search_argfail_constraints(self): 
105          """The constraints arg test of the minimise.grid_search() user function.""" 
106   
107          # Loop over the data types. 
108          for data in DATA_TYPES: 
109              # Catch the bool arguments, and skip them. 
110              if data[0] == 'bool': 
111                  continue 
112   
113              # The argument test. 
114              self.assertRaises(RelaxBoolError, self.minimisation_fns.grid_search, constraints=data[1]) 
115   
116   
117 -    def test_grid_search_argfail_verbosity(self): 
118          """The verbosity arg test of the minimise.grid_search() user function.""" 
119   
120          # Loop over the data types. 
121          for data in DATA_TYPES: 
122              # Catch the int and bin arguments, and skip them. 
123              if data[0] == 'int' or data[0] == 'bin': 
124                  continue 
125   
126              # The argument test. 
127              self.assertRaises(RelaxIntError, self.minimisation_fns.grid_search, verbosity=data[1]) 
128   
129   
130 -    def test_minimise_argfail_bad_keyword(self): 
131          """The test of a bad keyword argument in the minimise.execute() user function.""" 
132   
133          # Loop over the data types. 
134          for data in DATA_TYPES: 
135              # The argument test. 
136              self.assertRaises(RelaxError, self.minimisation_fns.execute, 'Newton', step_tol=data[1]) 
137   
138   
139 -    def test_minimise_argfail_min_algor(self): 
140          """The min_algor arg test of the minimise.execute() user function.""" 
141   
142          # Loop over the data types. 
143          for data in DATA_TYPES: 
144              # Catch the str argument, and skip it. 
145              if data[0] == 'str': 
146                  continue 
147   
148              # The argument test. 
149              self.assertRaises(RelaxStrError, self.minimisation_fns.execute, data[1]) 
150   
151   
152 -    def test_minimise_argfail_line_search(self): 
153          """The line_search arg test of the minimise.execute() user function.""" 
154   
155          # Loop over the data types. 
156          for data in DATA_TYPES: 
157              # Catch the None and str arguments, and skip them. 
158              if data[0] == 'None' or data[0] == 'str': 
159                  continue 
160   
161              # The argument test. 
162              self.assertRaises(RelaxStrError, self.minimisation_fns.execute, 'Newton', line_search=data[1]) 
163   
164   
165 -    def test_minimise_argfail_hessian_mod(self): 
166          """The hessian_mod arg test of the minimise.execute() user function.""" 
167   
168          # Loop over the data types. 
169          for data in DATA_TYPES: 
170              # Catch the None and str arguments, and skip them. 
171              if data[0] == 'None' or data[0] == 'str': 
172                  continue 
173   
174              # The argument test. 
175              self.assertRaises(RelaxStrError, self.minimisation_fns.execute, 'Newton', hessian_mod=data[1]) 
176   
177   
178 -    def test_minimise_argfail_hessian_type(self): 
179          """The hessian_type arg test of the minimise.execute() user function.""" 
180   
181          # Loop over the data types. 
182          for data in DATA_TYPES: 
183              # Catch the None and str arguments, and skip them. 
184              if data[0] == 'None' or data[0] == 'str': 
185                  continue 
186   
187              # The argument test. 
188              self.assertRaises(RelaxStrError, self.minimisation_fns.execute, 'Newton', hessian_type=data[1]) 
189   
190   
191 -    def test_minimise_argfail_func_tol(self): 
192          """The func_tol arg test of the minimise.execute() user function.""" 
193   
194          # Loop over the data types. 
195          for data in DATA_TYPES: 
196              # Catch the float, bin, and int arguments, and skip them. 
197              if data[0] == 'float': 
198                  continue 
199   
200              # The argument test. 
201              self.assertRaises(RelaxFloatError, self.minimisation_fns.execute, 'Newton', func_tol=data[1]) 
202   
203   
204 -    def test_minimise_argfail_grad_tol(self): 
205          """The grad_tol arg test of the minimise.execute() user function.""" 
206   
207          # Loop over the data types. 
208          for data in DATA_TYPES: 
209              # Catch the None, float, bin, and int arguments, and skip them. 
210              if data[0] == 'None' or data[0] == 'float': 
211                  continue 
212   
213              # The argument test. 
214              self.assertRaises(RelaxFloatError, self.minimisation_fns.execute, 'Newton', grad_tol=data[1]) 
215   
216   
217 -    def test_minimise_argfail_max_iter(self): 
218          """The max_iter arg test of the minimise.execute() user function.""" 
219   
220          # Loop over the data types. 
221          for data in DATA_TYPES: 
222              # Catch the bin and int arguments, and skip them. 
223              if data[0] == 'bin' or data[0] == 'int': 
224                  continue 
225   
226              # The argument test. 
227              self.assertRaises(RelaxIntError, self.minimisation_fns.execute, 'Newton', max_iter=data[1]) 
228   
229   
230 -    def test_minimise_argfail_constraints(self): 
231          """The constraints arg test of the minimise.execute() user function.""" 
232   
233          # Loop over the data types. 
234          for data in DATA_TYPES: 
235              # Catch the bool arguments, and skip them. 
236              if data[0] == 'bool': 
237                  continue 
238   
239              # The argument test. 
240              self.assertRaises(RelaxBoolError, self.minimisation_fns.execute, 'Newton', constraints=data[1]) 
241   
242   
243 -    def test_minimise_argfail_scaling(self): 
244          """The scaling arg test of the minimise.execute() user function.""" 
245   
246          # Loop over the data types. 
247          for data in DATA_TYPES: 
248              # Catch the bool arguments, and skip them. 
249              if data[0] == 'bool': 
250                  continue 
251   
252              # The argument test. 
253              self.assertRaises(RelaxBoolError, self.minimisation_fns.execute, 'Newton', scaling=data[1]) 
254   
255   
256 -    def test_minimise_argfail_verbosity(self): 
257          """The verbosity arg test of the minimise.execute() user function.""" 
258   
259          # Loop over the data types. 
260          for data in DATA_TYPES: 
261              # Catch the bin and int arguments, and skip them. 
262              if data[0] == 'bin' or data[0] == 'int': 
263                  continue 
264   
265              # The argument test. 
266              self.assertRaises(RelaxIntError, self.minimisation_fns.execute, 'Newton', verbosity=data[1]) 
267