def testLastIni(self):
test_input = ["-c", LAST_INI]
try:
main(test_input)
self.assertFalse(diff_lines(PDB_OUT, GOOD_PDB_LAST_OUT))
finally:
silent_remove(PDB_OUT, disable=DISABLE_REMOVE)
def testHelp(self):
test_input = ['-h']
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertFalse(output)
with capture_stdout(main, test_input) as output:
self.assertTrue("optional arguments" in output)
def testSingle(self):
test_input = ["-c", SINGLE_INI]
try:
main(test_input)
self.assertFalse(diff_lines(SINGLE_OUT, GOOD_SINGLE_OUT))
finally:
silent_remove(SINGLE_OUT, disable=DISABLE_REMOVE)
pass
def testMultPDB(self):
test_input = ["-c", MULT_PDB_INI]
try:
main(test_input)
self.assertFalse(diff_lines(MULT_PDB_OUT, GOOD_MULT_PDB_OUT))
finally:
silent_remove(MULT_PDB_OUT, disable=DISABLE_REMOVE)
pass
def testComb2Ini(self):
test_input = ["-c", COMB2_INI, "-o", "pet_mono_test_comb.pdb"]
try:
main(test_input)
self.assertFalse(diff_lines(COMB_PDB_OUT, GOOD_COMB_PDB_OUT))
finally:
silent_remove(COMB_PDB_OUT, disable=DISABLE_REMOVE)
pass
def testFirstIni(self):
test_input = ["-c", DEF_INI, "-a", "-o", 'pet_mono_f1hs_0.pdb']
try:
main(test_input)
self.assertFalse(diff_lines(ALT_PDB_OUT, GOOD_PDB_FIRST_OUT))
finally:
silent_remove(ALT_PDB_OUT, disable=DISABLE_REMOVE)
pass
def testUnrecognizedArg(self):
test_input = ["-c", DEF_INI, "--ghost"]
# main(test_input)
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertTrue("unrecognized arguments" in output)
with capture_stdout(main, test_input) as output:
self.assertTrue("optional arguments" in output)
def testCombIni(self):
test_input = ["-c", COMB_INI]
try:
silent_remove(TEMP_DIR, dir_with_files=True)
main(test_input)
self.assertFalse(diff_lines(PDB12_OUT, GOOD_PDB12_LAST_OUT))
finally:
silent_remove(PDB12_OUT, disable=DISABLE_REMOVE)
silent_remove(TEMP_DIR, dir_with_files=True)
pass
def testCommandLineFile(self):
test_input = [
"-c", NO_LOG_INI, "-f",
"tests/test_data/gausslog2pdb/pet_mono_f1hs_1.log", "-d",
"tests/test_data/gausslog2pdb"
]
try:
main(test_input)
self.assertFalse(diff_lines(PDB_OUT, GOOD_PDB_LAST_OUT))
finally:
silent_remove(PDB_OUT, disable=DISABLE_REMOVE)
def testMissingFile(self):
test_input = ["-c", MISSING_FILE_INI]
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertTrue("No such file or directory" in output)
def testNoLogFile(self):
test_input = ["-c", NO_LOG_INI]
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertTrue("No files to process" in output)
def testRequestFirstLast(self):
test_input = ["-c", DEF_INI, "-a", "-z"]
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertTrue("Cannot specify both" in output)
def testMorePDBAtoms(self):
test_input = ["-c", MORE_PDB_ATOMS_INI]
if logger.isEnabledFor(logging.DEBUG):
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertTrue("pdb template has" in output)
def testFewerPDBAtoms(self):
test_input = ["-c", FEWER_PDB_ATOMS_INI]
main(test_input)
with capture_stderr(main, test_input) as output:
self.assertTrue("has more atoms" in output)