Example #1
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 def testPrependGmx(self):
     params = {"pme": "gpu", "maxh": 3.5}
     self.assertEqual(_serializeParams(params, prepend="gmx_mpi"),
                      "gmx_mpi -maxh 3.5 -pme gpu")
Example #2
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 def testEmpty(self):
     self.assertEqual(_serializeParams(dict()), "")
Example #3
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 def testKeyValStringFloat(self):
     params = {"pme": "gpu", "maxh": 3.5}
     self.assertEqual(_serializeParams(params), "-maxh 3.5 -pme gpu")
Example #4
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 def testKeyValStringInt(self):
     params = {"pme": "gpu", "nstlist": 80}
     self.assertEqual(_serializeParams(params), "-nstlist 80 -pme gpu")
Example #5
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 def testKeyValStringNone(self):
     params = {"pme": "gpu", "notunepme": None}
     self.assertEqual(_serializeParams(params), "-notunepme -pme gpu")
Example #6
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 def testKeyValStringBoolFalse(self):
     params = {"pme": "gpu", "notunepme": False}
     self.assertEqual(_serializeParams(params), "-pme gpu")
Example #7
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 def testKeyValAllString(self):
     params = {"pme": "gpu", "bonded": "cpu"}
     self.assertEqual(_serializeParams(params), "-bonded cpu -pme gpu")