def _getActiveAtomsString(self, atoms): active = " IACTAT(1)=%s" #active_atoms ="".join([listOfRangesToString(listToRanges(frag)) for frag in atoms]) active_atoms = listOfRangesToString(listToRanges(self._active_atoms), maxlength=40, line_format="%5s", item_format="%s,", tuple_format="%s,%s,", terminator_format=None) return active % active_atoms
def test_listToRanges(self): list1 = range(1,10) self.assertEqual(util.listToRanges(list1),[(1,9)]) list2 = [1,2] + range(5,10) self.assertEqual(util.listToRanges(list2),[1,2,(5,9)]) list3 = [1,2,3] + range(5,10) self.assertEqual(util.listToRanges(list3),[(1,3),(5,9)]) list4 = [1,2,4] + range(7,10) self.assertEqual(util.listToRanges(list4),[1,2,4,(7,9)]) list5 = [2,3] + range(5,9) + [12,13] + range(15,20) + [31] self.assertEqual(util.listToRanges(list5),[2,3,(5,8),12,13,(15,19),31]) list6 = [2,3] + range(5,9) + [12,13] + range(15,20) + [31,32] self.assertEqual(util.listToRanges(list6),[2,3,(5,8),12,13,(15,19),31,32])
def _getFMOIndat(self): frags = self._fragmentation.getFragments() indat_string = " INDAT(1)=0\n%s" indat ="".join([listOfRangesToString(listToRanges(frag)) for frag in frags]) return indat_string % indat
def _getFMOIndat(self): frags = self._fragmentation.getFragments() indat_string = " INDAT(1)=0\n%s" indat = "".join( [listOfRangesToString(listToRanges(frag)) for frag in frags]) return indat_string % indat