Python string.is_string函数代码示例

    def product(self, *items):
        """
        Cartesian product of input iterables. Equivalent to nested for-loops.

        .. code-block:: python

            inp.product("tsmear", "ngkpt", [[2,2,2], [4,4,4]], [0.1, 0.2, 0.3])
        """
        # Split items into varnames and values
        for i, item in enumerate(items):
            if not is_string(item): break

        varnames, values = items[:i], items[i:]
        if len(varnames) != len(values):
            raise self.Error("The number of variables must equal the number of lists")

        varnames = [ [varnames[i]] * len(values[i]) for i in range(len(values))]
        varnames = itertools.product(*varnames)
        values = itertools.product(*values)

        idt = 0
        for names, values in zip(varnames, values):
            idt += 1
            self[idt].set_vars(**{k: v for k, v in zip(names, values)})
        
        if idt != self.ndtset:
            raise self.Error("The number of configurations must equal ndtset while %d != %d" % (idt, self.ndtset))

    def add_file(self, label, abifile, filter_abifile=None):
        """
        Add a file to the robot with the given label.

        Args:
            label: String used to identify the file (must be unique, ax exceptions is
                raised if label is already present.
            abifile: Specify the file to be added. Accepts strings (filepath) or abipy file-like objects.
            filter_abifile: Function that receives an ``abifile`` object and returns
                True if the file should be added to the plotter.
        """
        if is_string(abifile):
            from abipy.abilab import abiopen
            abifile = abiopen(abifile)
            if filter_abifile is not None and not filter_abifile(abifile):
                abifile.close()
                return

            # Open file here --> have to close it.
            self._do_close[abifile.filepath] = True

        if label in self._abifiles:
            raise ValueError("label %s is already present!" % label)

        self._abifiles[label] = abifile

    def add_file(self, label, ncfile):
        if is_string(ncfile):
            from abipy.abilab import abiopen
            ncfile = abiopen(ncfile)
            self._do_close[ncfile.filepath] = True

        self._ncfiles[label] = ncfile

    def open(cls, obj, nids=None, **kwargs):
        """
        Flexible constructor. obj can be a :class:`Flow` or a string with the directory containing the Flow.
        nids is an optional list of :class:`Node` identifiers used to filter the set of :class:`Task` in the Flow.
        """
        has_dirpath = False
        if is_string(obj):
            try:
                obj = Flow.pickle_load(obj)
            except:
                has_dirpath = True

        if not has_dirpath:
            # We have a Flow. smeth is the name of the Task method used to open the file.
            items = []
            smeth = "open_" + cls.EXT.lower()
            for task in obj.iflat_tasks(nids=nids): #, status=obj.S_OK):
                open_method = getattr(task, smeth, None)
                if open_method is None: continue
                ncfile = open_method()
                if ncfile is not None: items.append((task.pos_str, ncfile))
            return cls(*items)

        else:
            # directory --> search for files with the appropriate extension and open it with abiopen.
            if nids is not None: raise ValueError("nids cannot be used when obj is a directory.")
            return cls.from_dir(obj)

    def compare_d2de_scf_cycles(self, others, show=True):
        """
        Produce and returns a `matplotlib` figure comparing the DFPT self-consistent
        cycle in self with the ones in others.

        Args:
            others: list of `AbinitOutputFile` objects or strings with paths to output files.
            show: True to diplay plots.
        """
        for i, other in enumerate(others):
            if is_string(other): others[i] = self.__class__.from_file(other)

        fig, figures = None, []
        while True:
            cycle = self.next_d2de_scf_cycle()
            if cycle is None: break

            fig = cycle.plot(show=False)
            for i, other in enumerate(others):
                other_cycle = other.next_d2de_scf_cycle()
                if other_cycle is None: break
                last = (i == len(others) - 1)
                fig = other_cycle.plot(fig=fig, show=show and last)
                if last: figures.append(fig)

        self.seek(0)
        for other in others: other.seek(0)
        return figures

def asabistructure(obj):
    """
    Convert obj into an AbiStructure object. Accepts:

        - AbiStructure instance
        - Subinstances of pymatgen.
        - File paths
    """
    if isinstance(obj, AbiStructure):
        return obj

    if isinstance(obj, Structure):
        # Promote
        return AbiStructure(obj)

    if is_string(obj):
        # Handle file paths.
        if os.path.isfile(obj):

            if obj.endswith(".nc"):
                structure = structure_from_etsf_file(obj)
            else:
                structure = Structure.from_file(obj)

            # Promote
            return AbiStructure(structure)

    raise ValueError("Don't know how to convert object %s to an AbiStructure structure" % str(obj))

def wxapp_events(root):
    """
    Start up the AbinitOutputViewer application.

    Args:
        root:
            Can be: None, filename, directory name or list of filenames.
            None means that we just open the browser without accessing any file.
            If root is a directory, we locate all the output files
            starting from root and we visualize them in the main Frame.
    """
    if root is None:
        filenames = []

    elif is_string(root):
        root = os.path.abspath(root)
        if os.path.isdir(root):
            filenames = [os.path.join(root, f) for f in os.listdir(root) if f.endswith(".abo")]
        else:
            filenames = [root]
    else:
        filenames = root

    class AbiEventsViewerApp(awx.App):
        def OnInit(self):
            frame = AbinitEventsNotebookFrame(None, filenames)
            self.SetTopWindow(frame)
            frame.Show()
            return True

    return AbiEventsViewerApp()

def str2array(obj, dtype=float):
    if not is_string(obj): return np.asarray(obj)
    if obj.startswith("*"):
        raise ValueError("This case should be treated by the caller: %s" % str(obj))
    s = expand_star_syntax(obj)
    # Numpy does not understand "0.00d0 0.00d0"
    s = s.lower().replace("d", "e")
    return np.fromstring(s, sep=" ", dtype=dtype)

    def from_chgcar_poscar(cls, chgcar, poscar):
        """
        Build a :class`Density` object from Vasp data.

        Args:
            chgcar: Either string with the name of a CHGCAR file or :class:`Chgcar` pymatgen object.
            poscar: Either string with the name of a POSCAR file or :class:`Poscar` pymatgen object.

        .. warning:

            The present version does not support non-collinear calculations.
            The Chgcar object provided by pymatgen does not provided enough information
            to understand if the calculation is collinear or no.
        """
        if is_string(chgcar):
            chgcar = Chgcar.from_file(chgcar)
        if is_string(poscar):
            poscar = Poscar.from_file(poscar, check_for_POTCAR=False, read_velocities=False)

        nx, ny, nz = chgcar.dim
        nspinor = 1
        nsppol = 2 if chgcar.is_spin_polarized else 1
        nspden = 2 if nsppol == 2 else 1

        # Convert pymatgen chgcar data --> abipy representation.
        abipy_datar = np.empty((nspden, nx, ny, nz))

        if nspinor == 1:
            if nsppol == 1:
                abipy_datar = chgcar.data["total"]
            elif nsppol == 2:
                total, diff = chgcar.data["total"], chgcar.data["diff"]
                abipy_datar[0] = 0.5 * (total + diff)
                abipy_datar[1] = 0.5 * (total - diff)
            else:
                raise ValueError("Wrong nspden %s" % nspden)

        else:
            raise NotImplementedError("nspinor == 2 requires more info in Chgcar")

        # density in Chgcar is multiplied by volume!
        abipy_datar /= poscar.structure.volume

        return cls(nspinor=nspinor, nsppol=nsppol, nspden=nspden, datar=abipy_datar,
                   structure=poscar.structure, iorder="c")

 def get_values(self, keys):
     """Return a list of values associated to a particular list of keys"""
     if is_string(keys):
         return [s.__dict__[keys] for s in self.sections]
     else:
         values = []
         for k in keys:
             values.append([s.__dict__[k] for s in self.sections])
         return values

 def check_var(v, w):
     _error = False
     if isinstance(v, int):
         _error = check_int(v, w)
     elif isinstance(v, float):
         _error = check_float(v, w)
     elif is_string(v):
         _error = check_str(v, w)
     return _error

 def _select_hosts(self, hostnames):
     """
     Helper function to select hostnames.
     Receives None, string or list of strings and returns a list of hostnames. 
     """
     if hostnames is None:
         return self.hostnames()
     else:
         return [hostnames] if is_string(hostnames) else hostnames

def any2sch(obj):
    """Convert string or int to Schoenflies symbol. Returns None if invalid input"""
    if is_string(obj):
        if obj in sch_symbols:
            return obj
        else:
            # Try Hermann-Mauguin
            return herm2sch(obj)
    else:
        # Spacegroup ID?
        return spgid2sch(obj)

 def _get_structure(self, obj):
     """Extract the structure from the input object."""
     if isinstance(obj, Structure):
         self.structure = obj
                                                                                        
     elif is_string(obj):
         self.structure = abiopen(obj).structure
                                                                                        
     elif hasattr(obj, "structure"):
         self.structure = obj.structure
                                                                                        
     else:
         raise TypeError("Don't know how to extract the structure from %s" % str(obj))

    def to_csv(self, fileobj=sys.stdout):
        """Write data on file fileobj using CSV format."""
        openclose = is_string(fileobj)

        if openclose:
            fileobj = open(fileobj, "w")

        for (idx, section) in enumerate(self.sections):
            fileobj.write(section.to_csvline(with_header=(idx == 0)))
        fileobj.flush()

        if openclose:
            fileobj.close()