def createTestObjs(self):
kwargDictA = {
"element": self.eleA,
"basis": self.basisA,
"potential": self.potA,
"basisFile": self.basFileA,
"potFile": self.potFileA,
"ghost": self.ghostA,
"kind": self.kindA
}
self.basisObjA = tCode.CP2KBasisObjStandard(**kwargDictA)
def createTestObjs(self):
currKwargs = {
"element": self.eleA,
"basis": self.basisA,
"potential": self.potA,
"basisFile": self.basisFileA,
"potFile": self.potA,
"ghost": self.ghostA,
"kind": self.kindA
}
self.testObjA = basisObjHelp.CP2KBasisObjStandard(**currKwargs)
currKwargs = {
"element": self.eleB,
"basis": self.basisB,
"potential": self.potB,
"basisFile": self.basisFileB,
"potFile": self.potB,
"ghost": self.ghostB,
"kind": self.kindB
}
self.testObjB = basisObjHelp.CP2KBasisObjStandard(**currKwargs)
self.basisObjs = [self.testObjA, self.testObjB]
def _createStandardBasisObjForUnitTests():
return stdObjs.CP2KBasisObjStandard(element="should_be_overwritten",
basis="test_basis",
potential="test_potential",
basisFile="test_basFile",
potFile="test_potFile")
def testArgsRequired(self):
for attr in self.testAttrs:
currKwargDict = dict(self.kwargDict)
currKwargDict.pop(attr)
with self.assertRaises(AttributeError):
tCode.CP2KBasisObjStandard(**currKwargDict)
def createTestObjs(self):
self.kwargDict = {k: getattr(self, k) for k in self.testAttrs}
self.testObjA = tCode.CP2KBasisObjStandard(**self.kwargDict)