def testMultiParam(self):
args = "gmx_mpi mdrun -noconfout -ntmpi 4 -maxh 2.1 -pme cpu"
expected = {
"ntmpi": 4,
"pme": "cpu",
"maxh": 2.1,
"noconfout": True
}
self.assertDictEqual(_commandInputRegexOp(self._combineArgs(args)), expected)
def testStrParam(self):
args = "gmx mdrun -nb gpu"
self.assertDictEqual(_commandInputRegexOp(self._combineArgs(args)), {"nb": "gpu"})
def testBoolParam(self):
args = "gmx mdrun -noconfout"
self.assertDictEqual(_commandInputRegexOp(self._combineArgs(args)), {"noconfout": True})
def testFloatParam(self):
args = "gmx mdrun -maxh 3.0"
self.assertDictEqual(_commandInputRegexOp(self._combineArgs(args)), {"maxh": 3.0})
def testIntParam(self):
args = "gmx mdrun -ntomp 5"
self.assertDictEqual(_commandInputRegexOp(self._combineArgs(args)), {"ntomp": 5})
def testInvalid(self):
args = "gmx mdrun -maxh blah"
with self.assertRaises(ParseGmxCommandError):
_commandInputRegexOp(self._combineArgs(args))
def testEmptyParam(self):
args = "gmx mdrun"
self.assertDictEqual(_commandInputRegexOp(self._combineArgs(args)), {})
def testNoVal(self):
self.assertIsNone(_commandInputRegexOp(self.pre_garbage + self.post_garbage))