def testTokenizerOptimizationInfo(self): # fold>> data = FileSnippets.optimizationInfo()+"\n" writeToTestFile(data) tokens = Dalton.tokenizeOutFile(testFilePath()) self.assertEqual(len(tokens), 1) self.assertEqual(tokens[0].__class__, Tokens.OptimizationInfoToken)
def testOptimizationInfoToken(self): # fold>> data = FileSnippets.optimizationInfo() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.OptimizationInfoToken.match(reader) self.assertEqual(token.__class__, Tokens.OptimizationInfoToken) self.assertEqual(reader.currentPos(), start_pos + 10) self.assertEqual(token.iteration(), 0) self.assertEqual(token.endOfOptimization(), False) self.assertEqual(token.energy(), "-113.932636") self.assertEqual(token.energyChange(), None) self.assertEqual(token.gradientNorm(), "0.567825") self.assertEqual(token.stepNorm(), "0.487002") self.assertEqual(token.trustRadius(), "0.500000") self.assertEqual(token.totalHessianIndex(), 0)