def __str__(self):
        """Return a string representation of the space group data in
        the same format as found the database."""
        retval = []
        # no, symbol
        retval.append('%-3d   %s\n' % (self.no, self.symbol))
        # setting
        retval.append('  setting %d\n' % (self.setting))
        # centrosymmetric
        retval.append('  centrosymmetric %d\n' % (self.centrosymmetric))
        # primitive vectors
        retval.append('  primitive vectors\n')
        for i in range(3):
            retval.append('   ')
            for j in range(3):
                retval.append(' %13.10f' % (self.scaled_primitive_cell[i, j]))
            retval.append('\n')
        # primitive reciprocal vectors
        retval.append('  reciprocal vectors\n')
        for i in range(3):
            retval.append('   ')
            for j in range(3):
                retval.append(' %3d' % (self.reciprocal_cell[i, j]))
            retval.append('\n')
        # sublattice
        retval.append('  %d subtranslations\n' % self.nsubtrans)
        for i in range(self.nsubtrans):
            retval.append('   ')
            for j in range(3):
                retval.append(' %13.10f' % (self.subtrans[i, j]))
            retval.append('\n')
        # symmetry operations
        nrot = len(self.rotations)
        retval.append('  %d symmetry operations (rot+trans)\n' % nrot)
        for i in range(nrot):
            retval.append(' ')
            for j in range(3):
                retval.append(' ')
                for k in range(3):
                    retval.append(' %2d' % (self.rotations[i, j, k]))
                retval.append('  ')
            for j in range(3):
                retval.append(' %13.10f' % self.translations[i, j])
            retval.append('\n')
        retval.append('\n')
        return ''.join(retval)
def __str__ ( self ) : retval = [ ] retval . append ( '%-3d   %s\n' % ( self . no , self . symbol ) ) retval . append ( '  setting %d\n' % ( self . setting ) ) retval . append ( '  centrosymmetric %d\n' % ( self . centrosymmetric ) ) retval . append ( '  primitive vectors\n' ) for i in range ( 3 ) : retval . append ( '   ' ) for j in range ( 3 ) : retval . append ( ' %13.10f' % ( self . scaled_primitive_cell [ i , j ] ) ) retval . append ( '\n' ) retval . append ( '  reciprocal vectors\n' ) for i in range ( 3 ) : retval . append ( '   ' ) for j in range ( 3 ) : retval . append ( ' %3d' % ( self . reciprocal_cell [ i , j ] ) ) retval . append ( '\n' ) retval . append ( '  %d subtranslations\n' % self . nsubtrans ) for i in range ( self . nsubtrans ) : retval . append ( '   ' ) for j in range ( 3 ) : retval . append ( ' %13.10f' % ( self . subtrans [ i , j ] ) ) retval . append ( '\n' ) nrot = len ( self . rotations ) retval . append ( '  %d symmetry operations (rot+trans)\n' % nrot ) for i in range ( nrot ) : retval . append ( ' ' ) for j in range ( 3 ) : retval . append ( ' ' ) for k in range ( 3 ) : retval . append ( ' %2d' % ( self . rotations [ i , j , k ] ) ) retval . append ( '  ' ) for j in range ( 3 ) : retval . append ( ' %13.10f' % self . translations [ i , j ] ) retval . append ( '\n' ) retval . append ( '\n' ) return '' . join ( retval )
Return a string representation of the space group data in
        the same format as found the database.