def __str__(self): if self.transgen == canonical: return "{" + self.symmetry.__str__() + "}" else: transgenblock = bp.block( [[self.transgen.liste[j].value.liste[i].liste[0].__str__() + " " for j in range(3)] for i in range(3)]) return bp.block([["{" + self.symmetry.__str__() + "}", ], [transgenblock, ]])
def __str__(self): if self.transgen == canonical: return "{" + self.symmetry.__str__() + "}" else: transgenblock = bp.block([[ self.transgen.liste[j].value.liste[i].liste[0].__str__() + " " for j in range(3) ] for i in range(3)]) return bp.block([[ "{" + self.symmetry.__str__() + "}", ], [ transgenblock, ]])
def test_block(): liste = [["a", ], ["a\nb", "aaa"], ["aa\naa", "b"]] assert bp.block(liste) == " a \n"\ " aaaa\n"\ " b \n"\ "aa b\n"\ "aa "
def __str__(self): return bp.block([ [ "Atom", " " + self.name, " " + self.typ, " " + self.pos.__str__() ], ])
def __str__(self): liste_strings = [["Spacegroup", ''], ["----------", ''], [self.transgen.__str__(), '']] for coset in self.liste_cosets: liste_strings.append(['', coset.symmetry.__str__()]) return bp.block(liste_strings)
def atomtable_equalnames(liste, atomset): assert isinstance(liste, list), \ "First Argument must be of type list." for atomname in liste: assert isinstance(atomname, str), \ "First Argument must be a list " \ "of str." assert isinstance(atomset, cr.Atomset), \ "Second argument must by of type Atomset." for atom in atomset.menge: assert (atom.name in liste), \ "The list does not contain an atom " \ "named %s ." % atom.name stringliste = [[" name", " type", " x ", " y ", " z "], [" ----", " ----", " ---", " ---", " ---"]] for atomname in liste: how_often = 0 for atom in atomset.menge: if (atom.name == atomname): how_often += 1 stringliste.append( [" " + atom.name, " " + atom.typ, " " + atom.pos.x().__str__(), " " + atom.pos.y().__str__(), " " + atom.pos.z().__str__()]) # assert (how_often == 1), \ # "There are %i atoms named "\ # "%s in the atomset" \ # %(how_often, atomname) string = bp.block(stringliste) return string
def __str__(self): if self == canonical: return "canonical" else: return bp.block([["Transgen", self.liste[0].value.block(0, 3, 0, 1).__str__(), ' ', self.liste[1].value.block(0, 3, 0, 1).__str__(), ' ', self.liste[2].value.block(0, 3, 0, 1).__str__()], ])
def __mul__(self, right): assert isinstance(right, Coset), \ "Cannot multiply Coset with %s ." % (type(right)) assert self.transgen == right.transgen, \ "Can only multiply two Cosets with the same Transgen, "\ "but " + bp.block([[self.transgen.__str__(), " != ", right.transgen.__str__()]]) return Coset(self.symmetry * right.symmetry, self.transgen)
def __str__(self): return "Cellparameters\n" + \ bp.block([["a", " b", " c", " alpha", " beta", " gamma"], [self.a.__str__(), " " + self.b.__str__(), " " + self.c.__str__(), " " + self.alpha.__str__(), " " + self.beta.__str__(), " " + self.gamma.__str__()]])
def __str__(self): if self == canonical: return "canonical" else: return bp.block([ [ "Transgen", self.liste[0].value.block(0, 3, 0, 1).__str__(), ' ', self.liste[1].value.block(0, 3, 0, 1).__str__(), ' ', self.liste[2].value.block(0, 3, 0, 1).__str__() ], ])
def __str__(self): # The Atoms are printed in alphabetically order with regard to # the name, and if name is equal, with regard to the type. strings = [ ["Atomset\n" "-------"], ] liste = [atom for atom in self.menge] atomliste = [] momentumliste = [] bondliste = [] faceliste = [] subsetliste = [] for item in self.menge: if isinstance(item, Atom): atomliste.append(item) elif isinstance(item, Momentum): momentumliste.append(item) elif isinstance(item, Bond): bondliste.append(item) elif isinstance(item, Face): faceliste.append(item) elif isinstance(item, Subset): subsetliste.append(item) types = [atom.typ for atom in atomliste] indexes = [i for (j, i) in sorted(zip(types, range(len(atomliste))))] names = [atomliste[i].name for i in indexes] indexes = [i for (j, i) in sorted(zip(names, indexes))] print(indexes) for i in indexes: strings.append(["", atomliste[i].__str__()]) strings.append([""]) for momentum in momentumliste: strings.append(["", str(momentum)]) for bond in bondliste: strings.append(["", str(bond)]) for face in faceliste: strings.append(["", str(face)]) for subset in subsetliste: strings.append(["", str(subset)]) return bp.block(strings)
def __str__(self): # The Atoms are printed in alphabetically order with regard to # the name, and if name is equal, with regard to the type. strings = [["Atomset\n" "-------"], ] liste = [atom for atom in self.menge] atomliste = [] momentumliste = [] bondliste = [] faceliste = [] subsetliste = [] for item in self.menge: if isinstance(item, Atom): atomliste.append(item) elif isinstance(item, Momentum): momentumliste.append(item) elif isinstance(item, Bond): bondliste.append(item) elif isinstance(item, Face): faceliste.append(item) elif isinstance(item, Subset): subsetliste.append(item) types = [atom.typ for atom in atomliste] indexes = [i for (j, i) in sorted(zip(types, range(len(atomliste))))] names = [atomliste[i].name for i in indexes] indexes = [i for (j, i) in sorted(zip(names, indexes))] print(indexes) for i in indexes: strings.append(["", atomliste[i].__str__()]) strings.append([""]) for momentum in momentumliste: strings.append(["", str(momentum)]) for bond in bondliste: strings.append(["", str(bond)]) for face in faceliste: strings.append(["", str(face)]) for subset in subsetliste: strings.append(["", str(subset)]) return bp.block(strings)
def __str__(self): return bp.block([["Pos", self.value.block(0, 3, 0, 1).__str__()], ])
def __str__(self): return bp.block([["Atom", " " + self.name, " " + self.typ, " " + self.pos.__str__()], ])
def __str__(self): return bp.block([["Metric", self.value.__str__()]])
def __str__(self): return bp.block([["Rec", self.value.block(0, 1, 0, 3).__str__()], ])
def __str__(self): return bp.block([ ["Pos", self.value.block(0, 3, 0, 1).__str__()], ])
def __str__(self): return bp.block([["Operator", self.value.__str__()], ])
def __str__(self): return bp.block([ ["Operator", self.value.__str__()], ])
def __str__(self): return bp.block([ ["Rec", self.value.block(0, 1, 0, 3).__str__()], ])