예제 #1
0
    def get_structure(self, ip):
        """get_structure(ip) --> Get a copy of specified phase data.

        ip -- index of existing PdfFit phase starting from 1

        Return Structure object from diffpy.Structure.
        Raise pdffit2.unassignedError if phase ip is undefined.
        """
        from diffpy.Structure import PDFFitStructure
        s = self.save_struct_string(ip)
        stru = PDFFitStructure()
        stru.readStr(s, 'pdffit')
        return stru