################################################################################ # # TRIQS: a Toolbox for Research in Interacting Quantum Systems # # Copyright (C) 2011 by M. Ferrero, O. Parcollet # # TRIQS is free software: you can redistribute it and/or modify it under the # terms of the GNU General Public License as published by the Free Software # Foundation, either version 3 of the License, or (at your option) any later # version. # # TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # # You should have received a copy of the GNU General Public License along with # TRIQS. If not, see . # ################################################################################ # h5py import numpy,string,h5py class HDFArchiveGroupBasicLayer : _class_version = 1 def __init__(self, parent, subpath ): """ """ self.options = parent.options self._group = parent._group[subpath] if subpath else parent._group assert type(self._group) in [h5py.highlevel.Group,h5py.highlevel.File], "Internal error" self.ignored_keys = [] self.cached_keys = self._group.keys() def _init_root(self, LocalFileName, open_flag) : try : fich = h5py.File(LocalFileName, open_flag) except : print "Can not open the HDF file %s"%LocalFileName raise # checking the version if open_flag not in ['r','r+','a'] : self._version = self._class_version else : try : self._version = int(fich.attrs['HDFArchive_Version']) except : self._version = 1 if self._version > self._class_version : raise IOError, "File %s is too recent for this version of HDFArchive module"%Filename self._group = fich def is_group(self,p) : """Is p a subgroup ?""" assert len(p)>0 and p[0]!='/' return p in self.cached_keys and type(self._group[p]) == h5py.highlevel.Group def is_data(self,p) : """Is p a leaf ?""" assert len(p)>0 and p[0]!='/' return p in self.cached_keys and type(self._group[p]) == h5py.highlevel.Dataset def write_attr (self, key, val) : self._group.attrs.create(key, val) #self._group.attrs[key] = val def read_attr(self,attribute_name) : return self._group.attrs[attribute_name] def _read (self, key) : A = self._group[key] val = numpy.array(A) if A.shape!=() else A.value if self.options["UseAlpsNotationForComplex"] and '__complex__' in self._group[key].attrs : assert type(val) == numpy.ndarray, 'complex tag is set, but I have not an array' assert not numpy.iscomplexobj(val), 'complex tag is set, but I have a complex !' if len(val.shape) == 1 : val = val[0] + 1j * val[1] else : val = val[...,0] + 1j*val[...,1] def _numpy_scalar_to_python_scalar (v) : n= numpy if type(v) in [n.int, n.int8, n.int16, n.int32, n.int64] : return int(v) if type(v) in [n.uint8, n.uint16, n.uint32, n.uint64] : return int(v) if type(v) in [n.float, n.float32, n.float64] : return float(v) if type(v) in [n.complex, n.complex64, n.complex128] : return complex(v) if type(v) in [n.str_, n.string_] : return str(v) return v return _numpy_scalar_to_python_scalar ( val) def _write_array(self, key, A) : c = self.options["UseAlpsNotationForComplex"] and numpy.iscomplexobj(A) if c: val = numpy.zeros( A.shape + (2,) ) val[...,0], val[...,1] = A.real, A.imag else : val = A self._group[key] = numpy.array(val,copy=1,order='C') if c : self._group[key].attrs["__complex__"] = 1 self.cached_keys.append(key) def _write_scalar(self, key, A) : c = self.options["UseAlpsNotationForComplex"] and type(A) ==type (1j) val = numpy.array([A.real, A.imag]) if c else A self._group[key] =val if c : self._group[key].attrs["__complex__"]= 1 self.cached_keys.append(key) def _flush(self): self._group.file.flush() def _close(self): self._group.file.close() def create_group (self,key): self._group.create_group(key) self.cached_keys.append(key) def keys(self) : return self.cached_keys def _clean_key(self,key, report_error=False) : if report_error and key not in self.cached_keys : raise KeyError, "Key %s is not in archive !!"%key if key in self.cached_keys : del self._group[key] self.cached_keys.remove(key) else: raise KeyError, "Key %s is not in archive !!"%key