# 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 <http://www.gnu.org/licenses/>.
#
################################################################################
class Dummy(object):
""" Dummy class that is writable to a HDFArchive. """
def __init__(self):
pass
def __reduce_to_dict__(self):
return self.__dict__
@classmethod
def __factory_from_dict__(cls, name, d):
ret = cls()
ret.__dict__.update(d)
return ret
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(Dummy)
def invert(self):
"""Inverse all the blocks inplace"""
self.__check_attr("invert")
for i,g in self: g.invert()
def inverse(self):
"""Return inverse of the BlockGf"""
self.__check_attr("inverse")
return self.__class__( name_block_generator = [ (n, g.inverse()) for n,g in self], make_copies=False)
def transpose(self):
"""Return transpose of the BlockGf"""
self.__check_attr("transpose")
return self.__class__( name_block_generator = [ (n, g.transpose()) for n,g in self], make_copies=False)
def conjugate(self):
"""Return conjugate of the BlockGf"""
self.__check_attr("conjugate")
return self.__class__( name_block_generator = [ (n, g.conjugate()) for n,g in self], make_copies=False)
# def make_real_in_tau(self):
# """ """
# self.__check_attr("make_real_in_tau")
# return self.__class__( name_block_generator = [ (n, g.make_real_in_tau()) for n,g in self], make_copies=False)
#---------------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class
register_class (BlockGf)
self._constant_shift = dict.fromkeys(set(self.S_iw.indices),
constant_shift)
self._calculate_Gaux_iw()
def _calculate_Gaux_iw(self):
def _calculate_gaux_iw(g):
g[1] << Omega + self._constant_shift[g[0]] - g[1]
g[1].invert()
self.Gaux_iw = self.S_iw.copy()
map(_calculate_gaux_iw,
self.Gaux_iw) if self._BlockGf else _calculate_gaux_iw(
('0', self.Gaux_iw))
def _calculate_S_w(self):
def _calculate_s_w(s):
s[1] << Omega + self._constant_shift[s[0]] - inverse(s[1])
self.S_w = self.Gaux_w.copy()
map(_calculate_s_w, self.S_w) if self._BlockGf else _calculate_s_w(
('0', self.S_w))
try:
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(InversionSigmaContinuator)
register_class(DirectSigmaContinuator)
except ImportError: # notriqs
pass
return "MeshProduct of :" + ', '.join(repr(x) for x in self._mlist)
def __str__(self):
""" """
return ', '.join(str(x) for x in self._mlist)
#----------------------------- IO -----------------------------------
def __reduce__(self):
return call_factory_from_dict, (self.__class__, "",
self.__reduce_to_dict__())
def __reduce_to_dict__(self):
return dict(
('MeshComponent%s' % i, m) for i, m in enumerate(self._mlist))
# @classmethod
# def __factory_from_dict__(cls, l):
# return cls(*l)
@classmethod
def __factory_from_dict__(cls, name, d):
return cls(*(d['MeshComponent%s' % i]
for i in range(len(d)))) #.values())
#---------------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(MeshProduct)
def __check_attr(self,ATTR) :
if not hasattr(self._first(), ATTR ) :
raise RuntimeError, "The blocks of this Green Function do not possess the %s method"%ATTR
def invert(self) :
"""Inverse all the blocks"""
self.__check_attr("invert")
for i,g in self : g.invert()
def delta(self) :
"""Compute delta from G0"""
self.__check_attr("delta")
return self.__class__( name_block_generator = [ (n, g.delta()) for n,g in self], make_copies=False)
def transpose(self):
"""Transpose of the BlockGf"""
self.__check_attr("transpose")
return self.__class__( name_block_generator = [ (n, g.transpose()) for n,g in self], make_copies=False)
def conjugate(self):
"""Conjugate of the BlockGf"""
self.__check_attr("conjugate")
return self.__class__( name_block_generator = [ (n, g.conjugate()) for n,g in self], make_copies=False)
#---------------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class
register_class (BlockGf)
# literal_eval is a saje alternative to eval
d[ish][literal_eval(k)] = literal_eval(v)
return d
D['solver_to_sumk'] = reconstruct_mapping(D['solver_to_sumk'])
D['sumk_to_solver'] = reconstruct_mapping(D['sumk_to_solver'])
return cls(**D)
def __str__(self):
s = ''
s += "gf_struct_sumk " + str(self.gf_struct_sumk) + '\n'
s += "gf_struct_solver " + str(self.gf_struct_solver) + '\n'
s += "solver_to_sumk_block " + str(self.solver_to_sumk_block) + '\n'
for el in ['solver_to_sumk', 'sumk_to_solver']:
s += el + '\n'
element = getattr(self, el)
for ish in range(len(element)):
s += ' shell ' + str(ish) + '\n'
def keyfun(el):
return '{}_{:05d}'.format(el[0], el[1])
keys = sorted(element[ish].keys(), key=keyfun)
for k in keys:
s += ' ' + str(k) + str(element[ish][k]) + '\n'
return s
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(BlockStructure)
for ish in range(len(mapping)):
d.append({})
for k,v in mapping[ish].iteritems():
# literal_eval is a saje alternative to eval
d[ish][literal_eval(k)] = literal_eval(v)
return d
D['solver_to_sumk']=reconstruct_mapping(D['solver_to_sumk'])
D['sumk_to_solver']=reconstruct_mapping(D['sumk_to_solver'])
return cls(**D)
def __str__(self):
s=''
s+= "gf_struct_sumk "+str( self.gf_struct_sumk)+'\n'
s+= "gf_struct_solver "+str(self.gf_struct_solver)+'\n'
s+= "solver_to_sumk_block "+str(self.solver_to_sumk_block)+'\n'
for el in ['solver_to_sumk','sumk_to_solver']:
s+=el+'\n'
element=getattr(self,el)
for ish in range(len(element)):
s+=' shell '+str(ish)+'\n'
def keyfun(el):
return '{}_{:05d}'.format(el[0],el[1])
keys = sorted(element[ish].keys(),key=keyfun)
for k in keys:
s+=' '+str(k)+str(element[ish][k])+'\n'
return s
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(BlockStructure)
def __repr__(self):
""" """
return "MeshProduct of :" + ', '.join(repr(x) for x in self._mlist)
def __str__(self):
""" """
return ', '.join(str(x) for x in self._mlist)
#----------------------------- IO -----------------------------------
def __reduce__(self):
return call_factory_from_dict, (self.__class__, "", self.__reduce_to_dict__())
def __reduce_to_dict__(self):
return dict (('MeshComponent%s'%i, m) for i,m in enumerate(self._mlist))
# @classmethod
# def __factory_from_dict__(cls, l):
# return cls(*l)
@classmethod
def __factory_from_dict__(cls, name, d):
return cls(*(d['MeshComponent%s'%i] for i in range(len(d)))) #.values())
#---------------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class
register_class (MeshProduct)
def __reduce_to_dict__(self) :
return dict( [ (_my_str(n),v) for (n,v) in enumerate (self.ob)])
@classmethod
def __factory_from_dict__(cls, name, 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, name, 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 get_my_name(self):
ans = []
frame = inspect.currentframe().f_back
tmp = dict(frame.f_globals.items() + frame.f_locals.items())
for k, var in tmp.items():
if isinstance(var, self.__class__):
if hash(self) == hash(var):
ans.append(k)
return ans
# -- Register ParameterCollection in Triqs hdf_archive_schemes
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(ParameterCollection)
# ----------------------------------------------------------------------
class ParameterCollections(object):
def __init__(self, objects=[]):
self.objects = objects
def append(self, obj):
self.objects.append(obj)
def sort_on(self, attr):
val = self.getattr_from_objects(attr)
sidx = np.argsort(val)
self.set_sorted_order(sidx)
@property
def indicesL(self):
warnings.warn("g.indicesL is deprecated. Use g.indices[0] instead")
return self.indices.data[0]
@property
def indicesR(self):
warnings.warn("g.indicesR is deprecated. Use g.indices[1] instead")
return self.indices.data[1]
#---------------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class, register_backward_compatibility_method
register_class(Gf)
# A backward compatility function
def bckwd(hdf_scheme):
# we know scheme is of the form GfM1_x_M2_s/tv3
m, t = hdf_scheme[2:], '' # get rid of Gf
for suffix in ['_s', 'Tv3', 'Tv4']:
if m.endswith(suffix):
m, t = m[:-len(suffix)], suffix
break
return {'mesh': 'Mesh' + m, 'indices': 'GfIndices'}
register_backward_compatibility_method("Gf", "Gf", bckwd)
"""
assert callable(function), "function is not callable"
self.function,self.x_min,self.x_max = function,x_min,x_max
try :
e = function(0.001)
len(numpy.array(e).shape) ==1
except :
raise RuntimeError , "Value of the function must be a 1d-array"
self.__f(n_pts) # compute arrays
DOS.__init__(self,self.eps,self.rho,name)
#-------------------------------------------------------------
def __reduce__(self) :
return self.__class__, (self.function,self.x_min, self.x_max, len(self.eps), self.name)
#-------------------------------------------------------------
def __f(self,N) :
r = (self.x_max - self.x_min)/float(N-1)
self.eps = numpy.array( [self.x_min + r* i for i in range(N) ] )
self.rho = numpy.array( [self.function(e) for e in self.eps])
#-----------------------------------------------------
# Register the class for HDFArchive
#-----------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class
register_class (DOS)
assert callable(function), "function is not callable"
self.function, self.x_min, self.x_max = function, x_min, x_max
try:
e = function(0.001)
len(numpy.array(e).shape) == 1
except:
raise RuntimeError, "Value of the function must be a 1d-array"
self.__f(n_pts) # compute arrays
DOS.__init__(self, self.eps, self.rho, name)
#-------------------------------------------------------------
def __reduce__(self):
return self.__class__, (self.function, self.x_min, self.x_max,
len(self.eps), self.name)
#-------------------------------------------------------------
def __f(self, N):
r = (self.x_max - self.x_min) / float(N - 1)
self.eps = numpy.array([self.x_min + r * i for i in range(N)])
self.rho = numpy.array([self.function(e) for e in self.eps])
#-----------------------------------------------------
# Register the class for HDFArchive
#-----------------------------------------------------
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(DOS)
return tuple(x for n, x in sorted([(int(n), x) for n, x in D.items()]))
class PythonDictWrap:
def __init__(self, ob):
self.ob = ob
def __reduce_to_dict__(self):
return {str(n): v for n, v in self.ob.items()}
@classmethod
def __factory_from_dict__(cls, name, D):
return {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 = {
list: PythonListWrap,
np.exp(
np.polyval(self['linefit_params'][0],
np.log(maxent_result.alpha))),
np.exp(
np.polyval(self['linefit_params'][1],
np.log(maxent_result.alpha))))),
dict(label=r'linefit {}'.format(self['name']),
x_label=r'$\alpha$',
y_label=r'linefit',
log_x=True,
log_y=True))
try:
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(AnalyzerResult)
except ImportError: # notriqs
pass
class Analyzer(object):
r""" Analyzer base class
The base class for analyzing the values :math:`A_{\alpha}` and getting
the one true (:math:`\alpha`-independent) solution from the data.
"""
def __init__(self, name=None, **kwargs):
if name is None:
self.name = self.__class__.__name__
else:
self.name = name
return self._zero_elements
@saved
def use_hermiticity(self):
return self._use_hermiticity
@saved
def complex_elements(self):
return self._complex_elements
@property
def data(self):
""" Get a :py:class:`.MaxEntResultData` data object
that can be saved to h5-files.
"""
# in order to make sure that everything is saved
try:
d = self.__reduce_to_dict__()
return MaxEntResultData.__factory_from_dict__(
"MaxEntResultData", d)
except AttributeError as e:
raise Exception(e)
try:
from pytriqs.archive.hdf_archive_schemes import register_class
register_class(MaxEntResultData)
except ImportError: # notriqs
pass
