def testEmptyFileSkipLines(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"emptytestfile.txt"))
self.assertEqual(f.currentPos(), -1)
f.skipLines(10)
self.assertEqual(f.isAtEOF(), True)
f.skipLines(-10)
self.assertEqual(f.isAtBOF(), True)
def testFindStringNotFound(self): # fold>>
"Findstring functionality/not found case"
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual(f.findString('notfound'),'')
self.assertEqual(f.isAtEOF(), True)
self.assertEqual(f.findString('notfound', backward=True), '')
self.assertEqual(f.isAtBOF(), True)
def testRegexpCounted(self): # fold>>
"Findregexp functionality/counted search"
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual(f.findRegexp("line", 2), ("2nd line\n",))
self.assertEqual(f.currentLine(), "2nd line\n")
f.toEOF()
self.assertEqual(f.findRegexp("line", 2, backward=True), ("2nd line\n",))
self.assertEqual(f.currentLine(),"2nd line\n")
def testRegexpCurlineNeverEvaluated(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
f.toPos(0)
self.assertEqual(f.findRegexp('line'), ("2nd line\n",))
self.assertEqual(f.currentLine(), "2nd line\n")
f.toPos(2)
self.assertEqual(f.findRegexp('line', backward=True), ("2nd line\n",))
self.assertEqual(f.currentLine(),"2nd line\n")
def testGetItem(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual(f[0],"1st line\n")
self.assertEqual(f[1],"2nd line\n")
self.assertEqual(f[2],"3rd line\n")
f.close()
def testRegexpBasic(self): # fold>>
"Findregexp functionality/basic search"
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual( f.findRegexp("3rd"), ("3rd line\n",))
self.assertEqual( f.currentLine(), "3rd line\n")
f.toEOF()
self.assertEqual( f.findRegexp("1st", backward=True), ("1st line\n",))
self.assertEqual( f.currentLine(), "1st line\n")
def testFindStringCurlineNeverEvaluated(self): # fold>>
"Findstring functionality/curline never evaluated"
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
f.toPos(0)
self.assertEqual( f.findString('line'),"2nd line\n")
self.assertEqual( f.currentLine(), "2nd line\n")
f.toPos(2)
self.assertEqual( f.findString('line', backward=True), "2nd line\n")
self.assertEqual( f.currentLine(), "2nd line\n")
def testHeaderTransitionToken(self): # fold>>
data = FileSnippets.headerTransition()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.HeaderTransitionToken.match(reader)
self.assertEqual(token.__class__, Tokens.HeaderTransitionToken)
self.assertEqual(reader.currentPos(), start_pos + 1)
def tokenize(self,filename):
reader = FileReader.FileReader(filename)
token_list = []
while not reader.isAtEOF():
token = self._resolveNextToken(reader)
if token is None:
reader.readline()
else:
token_list.append(token)
return token_list
def testParseSymmetrySection(self): # fold>>
filename = os.path.join(moduleDir(), "HSO2POEtg3.zmat")
f = FileReader.FileReader(filename)
sym = ZMatrix._parseSymmetrySection(f)
valid_data = ['X', 'Z']
self.assertEqual(len(sym), len(valid_data))
for index in xrange(len(sym)):
self.assertEqual(sym[index], valid_data[index])
f.close()
def testEmptyFileSeeks(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"emptytestfile.txt"))
self.assertEqual(f.currentPos(), -1)
self.assertEqual(f.isAtBOF(), True)
f.toEOF()
self.assertEqual(f.currentPos(), 0)
self.assertEqual(f.isAtEOF(), True)
f.toBOF()
self.assertEqual(f.currentPos(), -1)
self.assertEqual(f.isAtBOF(), True)
def testZPVEToken(self): # fold>>
data = FileSnippets.zpve()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.ZPVEToken.match(reader)
self.assertEqual(token.__class__, Tokens.ZPVEToken)
self.assertEqual(reader.currentPos(), start_pos + 1)
self.assertAlmostEqual(token.zpve().value(), 0.074920061481)
def testGeometryToken(self): # fold>>
data = FileSnippets.geometry()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.GeometryToken.match(reader)
self.assertEqual(token.__class__, Tokens.GeometryToken)
self.assertEqual(reader.currentPos(), start_pos + 9)
self.assertEqual(len(token.atomList()), 9)
def testEnergyToken(self): # fold>>
data = FileSnippets.energy()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.EnergyToken.match(reader)
self.assertEqual(token.__class__, Tokens.EnergyToken)
self.assertEqual(reader.currentPos(), start_pos + 1)
self.assertAlmostEqual(token.energy().value(), -153.869550889154)
def testNormalModesToken(self): # fold>>
data = FileSnippets.normalModes()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.NormalModesToken.match(reader)
self.assertEqual(token.__class__, Tokens.NormalModesToken)
self.assertEqual(reader.currentPos(), start_pos + 5)
self.assertEqual(len(token.eigenvalues()), 20)
def testSkipLines(self): # fold>>
"Seeking with relative jumps"
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual( f.currentPos(), -1)
f.skipLines(3)
self.assertEqual( f.currentPos(), 2)
f.skipLines(-1)
self.assertEqual( f.currentPos(), 1)
f.skipLines(10)
self.assertEqual( f.isAtEOF(), True)
f.skipLines(-10)
self.assertEqual( f.isAtBOF(), True)
def testConnectionToken(self): # fold>>
data = FileSnippets.connection()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.ConnectionToken.match(reader)
self.assertEqual(token.__class__, Tokens.ConnectionToken)
self.assertEqual(reader.currentPos(), start_pos + 1)
self.assertEqual(token.first(), "0")
self.assertEqual(token.second(), "DC")
def testFileReadlineBackward(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
f.toEOF()
l = f.readbackline()
self.assertEqual(l,"3rd line\n")
l = f.readbackline()
self.assertEqual(l,"2nd line\n")
l = f.readbackline()
self.assertEqual(l,"1st line\n")
# now the pointer is at begin of file
self.assertEqual(f.readbackline(), '')
def testFileReadLine(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
l = f.readline()
self.assertEqual(l,"1st line\n")
l = f.readline()
self.assertEqual(l,"2nd line\n")
l = f.readline()
self.assertEqual(l,"3rd line\n")
# now the pointer is at end of file
self.assertEqual(f.readline(), '')
f.close()
def testOccurrences(self): # fold>>
"Seeking with relative jumps"
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
f.skipLines(1)
self.assertEqual(f.isAtPos(0), True)
self.assertEqual(f.occurrences('line'), [1, 2])
self.assertEqual(f.isAtPos(0), True)
f.skipLines(2)
self.assertEqual(f.isAtPos(2), True)
self.assertEqual(f.occurrences('line', backward=True),[1, 0])
self.assertEqual(f.isAtPos(2), True)
f.toBOF()
self.assertEqual(f.occurrences('not found'), [])
def testStructureHeaderToken(self): # fold>>
data = FileSnippets.structureHeader()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.StructureHeaderToken.match(reader)
self.assertEqual(token.__class__, Tokens.StructureHeaderToken)
self.assertEqual(reader.currentPos(), start_pos + 1)
self.assertEqual(token.type(), "DC")
self.assertEqual(token.number(), 1)
self.assertEqual(token.symmetry(), "C1")
def testCommandDirectiveToken(self): # fold>>
data = FileSnippets.commandDirective()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.CommandDirectiveToken.match(reader)
self.assertEqual(token.__class__, Tokens.CommandDirectiveToken)
self.assertEqual(reader.currentPos(), start_pos+1)
self.assertEqual(token.commandLine(), "grrm/RHF/6-31+G*")
self.assertEqual(token.jobString(), "grrm")
self.assertEqual(token.methodString(), "RHF")
self.assertEqual(token.basisSetString(), "6-31+G*")
def testEmptyFileGetItemOutOfBounds(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"emptytestfile.txt"))
# move at BOF with big negative num
self.assertEqual(f[-999999], '')
self.assertEqual(f.isAtBOF(),True)
# move at EOF with big positive num
self.assertEqual(f[9999999], '')
self.assertEqual(f.isAtEOF(),True)
# move at BOF with -1
self.assertEqual(f[-1], '')
self.assertEqual(f.isAtBOF(),True)
# move at EOF with len
self.assertEqual(f[len(f)], '')
self.assertEqual(f.isAtEOF(),True)
def testCurrentPos(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual(f.currentPos(),-1)
f[1]
self.assertEqual(f.currentPos(),1)
def testCurrentLine(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual(f.currentLine(), '')
f[1]
# now we're at line 1
self.assertEqual(f.currentLine(),"2nd line\n")
def testGetItemCurrentPos(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
l = f[2]
self.assertEqual(f.currentPos(), 2)
def testLen(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"testfile.txt"))
self.assertEqual(len(f),3)
f.close()
def testEmptyFileRegexpNotFound(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"emptytestfile.txt"))
self.assertEqual(f.findRegexp('notfound'),None)
self.assertEqual(f.isAtEOF(), True)
self.assertEqual(f.findRegexp('notfound', backward=True), None)
self.assertEqual(f.isAtBOF(), True)
def testEmptyFileOccurrences(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"emptytestfile.txt"))
self.assertEqual(f.occurrences('not found'), [])
def testEmptyFileCurrentPos(self): # fold>>
f = FileReader.FileReader(os.path.join(moduleDir(),"emptytestfile.txt"))
self.assertEqual(f.currentPos(), -1)
