def testTokenizerAtomsAndBasisSetsTable(self): # fold>>
data = FileSnippets.atomsAndBasisSetsTable()+"\n"
writeToTestFile(data)
tokens = Dalton.tokenizeOutFile(testFilePath())
self.assertEqual(len(tokens), 1)
self.assertEqual(tokens[0].__class__, Tokens.AtomsAndBasisSetsToken)
def testAtomsAndBasisSetsToken(self): # fold>>
data = FileSnippets.atomsAndBasisSetsTable()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.AtomsAndBasisSetsToken.match(reader)
self.assertEqual(token.__class__, Tokens.AtomsAndBasisSetsToken)
self.assertEqual(reader.currentPos(), start_pos + 22)
self.assertEqual(token.totalNumberOfAtoms(), 10)
self.assertEqual(token.numOfAtomTypes(), 2)
self.assertEqual(len(token.atomDataList()), 10)
self.assertEqual(token.atomDataList()[0][0], "H1")
self.assertEqual(token.atomDataList()[0][1], 1)
self.assertEqual(token.atomDataList()[0][2], 1)
self.assertEqual(token.atomDataList()[0][3], 7)
self.assertEqual(token.atomDataList()[0][4], 5)
self.assertEqual(token.atomDataList()[0][5], "[4s1p|2s1p]")
self.assertEqual(token.atomDataList()[5][0], "H6")
self.assertEqual(token.atomDataList()[5][1], 1)
self.assertEqual(token.atomDataList()[5][2], 1)
self.assertEqual(token.atomDataList()[5][3], 7)
self.assertEqual(token.atomDataList()[5][4], 5)
self.assertEqual(token.atomDataList()[5][5], "[4s1p|2s1p]")
self.assertEqual(token.atomDataList()[6][0], "C1")
self.assertEqual(token.atomDataList()[6][1], 1)
self.assertEqual(token.atomDataList()[6][2], 6)
self.assertEqual(token.atomDataList()[6][3], 26)
self.assertEqual(token.atomDataList()[6][4], 14)
self.assertEqual(token.atomDataList()[6][5], "[9s4p1d|3s2p1d]")
self.assertEqual(token.atomDataList()[9][0], "C4")
self.assertEqual(token.atomDataList()[9][1], 1)
self.assertEqual(token.atomDataList()[9][2], 6)
self.assertEqual(token.atomDataList()[9][3], 26)
self.assertEqual(token.atomDataList()[9][4], 14)
self.assertEqual(token.atomDataList()[9][5], "[9s4p1d|3s2p1d]")