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)