Esempio n. 1
0
 def testGetSpaceGroupNameFromITNumber(self):
     EDAssert.equal("P1", EDUtilsSymmetry.getSpaceGroupNameFromITNumber(1),
                    "Space group from from it number 1")
     EDAssert.equal("P2", EDUtilsSymmetry.getSpaceGroupNameFromITNumber(3),
                    "Space group from from it number 3")
     EDAssert.equal("C2", EDUtilsSymmetry.getSpaceGroupNameFromITNumber(5),
                    "Space group from from it number 5")
     EDAssert.equal("P222",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(16),
                    "Space group from from it number 16")
     EDAssert.equal("C222",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(21),
                    "Space group from from it number 21")
     EDAssert.equal("F222",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(22),
                    "Space group from from it number 22")
     EDAssert.equal("P4", EDUtilsSymmetry.getSpaceGroupNameFromITNumber(75),
                    "Space group from from it number 75")
     EDAssert.equal("I4", EDUtilsSymmetry.getSpaceGroupNameFromITNumber(79),
                    "Space group from from it number 79")
     EDAssert.equal("P3",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(143),
                    "Space group from from it number 143")
     EDAssert.equal("H3",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(146),
                    "Space group from from it number 146")
     EDAssert.equal("P23",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(195),
                    "Space group from from it number 195")
     EDAssert.equal("F23",
                    EDUtilsSymmetry.getSpaceGroupNameFromITNumber(196),
                    "Space group from from it number 196")