################################################################################ # # 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 . # ################################################################################ import sys,numpy,string from hdf_archive_basic_layer_h5py import HDFArchiveGroupBasicLayer from pytriqs.archive.hdf_archive_schemes import hdf_scheme_access, register_class # ------------------------------------------- # # Various wrappers for basic python types. # # -------------------------------------------- def _my_str(ll, digs = 10) : ns = str(ll) for ii in xrange(digs-len(ns)): ns = '0'+ns return ns class PythonListWrap: def __init__(self,ob) : self.ob = ob def __reduce_to_dict__(self) : return dict( [ (_my_str(n),v) for (n,v) in enumerate (self.ob)]) @classmethod def __factory_from_dict__(cls,D) : return [x for (n,x) in sorted(D.items())] class PythonTupleWrap: def __init__(self,ob) : self.ob = ob def __reduce_to_dict__(self) : return dict( [ (_my_str(n),v) for (n,v) in enumerate (self.ob)]) @classmethod def __factory_from_dict__(cls,D) : return tuple([x for (n,x) in sorted(D.items())]) class PythonDictWrap: def __init__(self,ob) : self.ob = ob def __reduce_to_dict__(self) : return dict( [ (str(n),v) for (n,v) in self.ob.items()]) @classmethod def __factory_from_dict__(cls,D) : return dict([(n,x) for (n,x) in D.items()]) register_class (PythonListWrap) register_class (PythonTupleWrap) register_class (PythonDictWrap) # ------------------------------------------- # # A view of a subgroup of the archive # # -------------------------------------------- class HDFArchiveGroup (HDFArchiveGroupBasicLayer) : """ """ _wrappedType = { type([]) : PythonListWrap, type(()) : PythonTupleWrap, type({}) : PythonDictWrap} _MaxLengthKey = 500 def __init__(self, parent, subpath) : self.options = parent.options HDFArchiveGroupBasicLayer.__init__(self, parent, subpath) self.options = parent.options self.key_as_string_only = self.options['key_as_string_only'] self._reconstruct_python_objects = self.options['reconstruct_python_object'] self.is_top_level = False #------------------------------------------------------------------------- def _key_cipher(self,key) : if key in self.ignored_keys : raise KeyError, "key %s is reserved"%key if self.key_as_string_only : # for bacward compatibility if type(key) not in [ type('') , type(u'a')] : raise KeyError, "Key must be string only !" return key r = repr(key) if len (r)> self._MaxLengthKey : raise KeyError, "The Key is too large !" # check that the key is ok (it can be reconstructed) try : ok = eval(r) == key except : ok =False if not ok : raise KeyError, "The Key *%s*can not be serialized properly by repr !"%key return r #------------------------------------------------------------------------- def _key_decipher(self,key) : return key if self.key_as_string_only else eval(key) #------------------------------------------------------------------------- def __contains__(self,key) : key= self._key_cipher(key) return key in self.keys() #------------------------------------------------------------------------- def values(self) : """ Generator returning the values in the group """ def res() : for name in self.keys() : yield self[name] return res() #------------------------------------------------------------------------- def items(self) : """ Generator returning couples (key, values) in the group. """ def res() : for name in self.keys(): yield name, self[name] return res() #------------------------------------------------------------------------- def __iter__(self) : """Returns the keys, like a dictionary""" def res() : for name in self.keys() : yield name return res() #------------------------------------------------------------------------- def __len__(self) : """Returns the length of the keys list """ return len(self.keys()) #------------------------------------------------------------------------- def update(self,object_with_dict_protocol): for k,v in object_with_dict_protocol.items() : self[k] = v #------------------------------------------------------------------------- def __delitem__(self,key) : key= self._key_cipher(key) self._clean_key(key,True) #------------------------------------------------------------------------- def __setitem__(self,key,val) : key= self._key_cipher(key)# first look if key is a string or key if key in self.keys() : if self.options['do_not_overwrite_entries'] : raise KeyError, "key %s already exists"%key self._clean_key(key) # clean things # Transform list, dict, etc... into a wrapped type that will allow HDF reduction if type(val) in self._wrappedType: val = self._wrappedType[type(val)](val) # write the attributes def write_attributes(g) : """Use the _hdf5_data_scheme_ if it exists otherwise the class name""" ds = val._hdf5_data_scheme_ if hasattr(val,"_hdf5_data_scheme_") else val.__class__.__name__ try : sch = hdf_scheme_access(ds) except : err = """ You are trying to store an object of type "%s", with the TRIQS_HDF5_data_scheme "%s". But that data_scheme is not registered, so you will not be able to reread the class. Didn't you forget to register your class in pytriqs.archive.hdf_archive_schemes? """ %(val.__class__.__name__,ds) raise IOError,err g.write_attr("TRIQS_HDF5_data_scheme", ds) if '__write_hdf5__' in dir(val) : # simplest protocol val.__write_hdf5__(self._group,key) SUB = HDFArchiveGroup(self,key) write_attributes(SUB) elif '__reduce_to_dict__' in dir(val) : # Is it a HDF_compliant object self.create_group(key) # create a new group d = val.__reduce_to_dict__() if '__reduce_to_dict__' in dir(val) else dict( [(x,getattr(val,x)) for x in val.__HDF_reduction__]) if type(d) != type({}) : raise ValueError, " __reduce_to_dict__ method does not return a dict. See the doc !" if (d=={}) : raise ValueError, "__reduce_to_dict__ returns an empty dict" SUB = HDFArchiveGroup(self,key) for n,v in d.items() : SUB[n] = v write_attributes(SUB) elif type(val)== numpy.ndarray : # it is a numpy try : self._write_array( key, numpy.array(val,copy=1,order='C') ) except RuntimeError: print "HDFArchive is in trouble with the array %s"%val raise elif isinstance(val, HDFArchiveGroup) : # will copy the group recursively # we could add this for any object that has .items() in fact... SUB = HDFArchiveGroup(self, key) for k,v in val.items() : SUB[k]=v else : # anything else... expected to be a scalar try : self._write_scalar( key, val) except: raise #ValueError, "Value %s\n is not of a type suitable to storage in HDF file"%val self._flush() #------------------------------------------------------------------------- def get_raw (self,key): """Similar to __getitem__ but it does NOT reconstruct the python object, it presents it as a subgroup""" return self.__getitem1__(key,False) #------------------------------------------------------------------------- def __getitem__(self,key) : """Return the object key, possibly reconstructed as a python object if it has been properly set up""" return self.__getitem1__(key,self._reconstruct_python_objects) #------------------------------------------------------------------------- def __getitem1__(self,key,reconstruct_python_object) : if key not in self : key = self._key_cipher(key) if key not in self : raise KeyError, "Key %s does not exists"%key if self.is_group(key) : SUB = HDFArchiveGroup(self,key) # View of the subgroup if not reconstruct_python_object : return SUB try : hdf_data_scheme = SUB.read_attr("TRIQS_HDF5_data_scheme") except: return SUB if hdf_data_scheme : try : sch = hdf_scheme_access(hdf_data_scheme) except : print "Warning : The TRIQS_HDF5_data_scheme %s is not recognized. Returning as a group. Hint : did you forgot to import this python class ?"%hdf_data_scheme return SUB r_class_name = sch.classname r_module_name = sch.modulename r_readfun = sch.read_fun if not (r_class_name and r_module_name) : return SUB try : exec("from %s import %s as r_class" %(r_module_name,r_class_name)) in globals(), locals() except KeyError : raise RuntimeError, "I can not find the class %s to reconstruct the object !"%r_class_name if r_readfun : res = r_readfun(self._group,key) elif "__factory_from_dict__" in dir(r_class) : f = lambda K : SUB.__getitem1__(K,reconstruct_python_object) if SUB.is_group(K) else SUB._read(K) values = dict( (self._key_decipher(K),f(K)) for K in SUB ) res = r_class.__factory_from_dict__(values) else : raise ValueError, "Impossible to reread the class %s for group %s and key %s"%(r_class_name,self, key) return res elif self.is_data(key) : return self._read(key) else : raise KeyError, "Key %s is of unknown type !!"%Key #--------------------------------------------------------------------------- def __str__(self) : def pr(name) : if self.is_group(name) : return "%s : subgroup"%name elif self.is_data(name) : # can be an array of a number return "%s : data "%(name) else : raise ValueError, "oopps %s"%(name) s= "HDFArchive%s with the following content:\n"%(" (partial view)" if self.is_top_level else '') s+=string.join([ ' '+ pr(n) for n in self.keys() ], '\n') return s #------------------------------------------------------------------------- def __repr__(self) : return self.__str__() #------------------------------------------------------------------------- def apply_on_leaves (self,f) : """ For each named leaf (name,value) of the tree, it calls f(name,value) f should return : - `None` : no action is taken - an `empty tuple` () : the leaf is removed from the tree - an hdf-compliant value : the leaf is replaced by the value """ def visit_tree(n,d): for k in d:# Loop over the subgroups in d if d.is_group(k) : visit_tree(k,d[k]) else : r = f(k,d[k]) if r != None : d[k] = r elif r == () : del d[k] visit_tree('/',self['/']) # ------------------------------------------- # # The main class # # -------------------------------------------- class HDFArchive(HDFArchiveGroup): """ """ _class_version = "HDFArchive | 1.0" def __init__(self, url_name, open_flag = 'a', key_as_string_only = True, reconstruct_python_object = True, init = {}): r""" Parameters ----------- url_name : string The url of the hdf5 file. * If url is a simple string, it is interpreted as a local file name * If url is a remote url (e.g. `http://ipht.cea.fr/triqs/data/single_site_bethe.output.h5` ) then the h5 file is downloaded in temporary file and opened. In that case, ``open_flag`` must be 'r', read-only mode. The temporary file is deleted at exit. open_flag : Legal modes: r, w, a (default) key_as_string_only : True (default) init : any generator of tuple (key,val), e.g. a dict.items(). It will fill the archive with these values. Attributes ---------- LocalFileName : string the name of the file or of the local downloaded copy url_name : string the name of the Url Examples -------- >>> # retrieve a remove archive (in read-only mode) : >>> h = HDFArchive( 'http://ipht.cea.fr/triqs/data/single_site_bethe.output.h5') >>> >>> # full copy of an archive >>> HDFArchive( f, 'w', init = HDFArchive(fmp,'r').items()) # full >>> >>> # partial copy of file of name fmp, with only the key 'G' >>> HDFArchive( f, 'w', init = [ (k,v) for (k,v) in HDFArchive(fmp,'r') if k in ['G'] ) >>> >>> # faster version : the object are only retrieved when needed (list comprehension vs iterator comprehension) >>> HDFArchive( f, 'w', init = ( (k,v) for (k,v) in HDFArchive(fmp,'r') if k in ['G'] ) ) >>> >>> # partial copy with processing on the fly with the P function >>> HDFArchive( f, 'w', init = ( (k,P(v)) for (k,v) in HDFArchive(fmp,'r') if k in ['G'] ) ) >>> >>> # another variant with a filtered dict >>> HDFArchive( f, 'w', init = HDFArchive(fmp,'r').items(lambda k : k in ['G'] )) """ import os,os.path assert open_flag in ['r','w','a'], "Invalid mode" assert type(url_name)==type(''), "url_name must be a string" # If it is an url , retrieve if and check mode is read only import urllib LocalFileName, http_message = urllib.urlretrieve (url_name) if open_flag == 'r' else (url_name, None) if LocalFileName != url_name : # this was not a local file, so it must be read only assert open_flag == 'r', "You retrieve a distant Url %s which is not local, so it must be read-only. Use 'r' option"%url_name if open_flag == 'w' : os.system("rm -f %s"%(os.path.abspath(LocalFileName))) # destroys the file, ignoring errors self._init_root( LocalFileName, open_flag) self.options = {'key_as_string_only' : key_as_string_only, 'do_not_overwrite_entries' : False, 'reconstruct_python_object': reconstruct_python_object, 'UseAlpsNotationForComplex' : True } HDFArchiveGroup.__init__(self,self,"") self.is_top_level = True for k,v in init : self[k]=v # These two methods are necessary for "with" def __enter__(self): return self def __exit__(self, type, value, traceback): self._flush() self._close() #-------------------------------------------------------------------------------- class HDFArchiveInert: """ A fake class for the node in MPI. It does nothing, but permits to write simply : a= mpi.bcast(H['a']) # run on all nodes -[] : __getitem__ returns self so that H['a']['b'] is ok... - setitem : does nothing. """ def HDFArchive_Inert(self): pass def __getitem__(self,x) : return self def __setitem__(self,k,v) : pass #--------------------------------------------------------------------------------