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block_structure: add check_gf method
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@ -281,6 +281,46 @@ class BlockStructure(object):
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G = BlockGf(name_list = names, block_list = blocks)
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G = BlockGf(name_list = names, block_list = blocks)
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return G
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return G
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def check_gf(self, G, ish=None):
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""" check whether the Green's function G has the right structure
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This throws an error if the structure of G is not the same
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as ``gf_struct_solver``.
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Parameters
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----------
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G : BlockGf or list of BlockGf
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Green's function to check
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if it is a list, there should be as many entries as there
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are shells, and the check is performed for all shells (unless
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ish is given).
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ish : int
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shell index
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default: 0 if G is just one Green's function is given,
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check all if list of Green's functions is given
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"""
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if isinstance(G, list):
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assert len(G) == len(self.gf_struct_solver),\
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"list of G does not have the correct length"
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if ish is None:
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ishs = range(len(self.gf_struct_solver))
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else:
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ishs = [ish]
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for ish in ishs:
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self.check_gf(G[ish], ish=ish)
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return
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if ish is None:
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ish = 0
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for block in self.gf_struct_solver[ish]:
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assert block in G.indices,\
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"block " + block + " not in G (shell {})".format(ish)
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for block, gf in G:
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assert block in self.gf_struct_solver[ish],\
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"block " + block + " not in struct (shell {})".format(ish)
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assert list(gf.indices) == 2 * [map(str, self.gf_struct_solver[ish][block])],\
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"block " + block + " has wrong indices (shell {})".format(ish)
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def convert_gf(self,G,G_struct,ish=0,show_warnings=True,**kwargs):
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def convert_gf(self,G,G_struct,ish=0,show_warnings=True,**kwargs):
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""" Convert BlockGf from its structure to this structure.
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""" Convert BlockGf from its structure to this structure.
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@ -44,6 +44,8 @@ i = 1
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for block, gf in G1:
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for block, gf in G1:
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gf << SemiCircular(i)
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gf << SemiCircular(i)
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i += 1
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i += 1
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original_bs.check_gf(G1)
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original_bs.check_gf([G1])
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# check approximate_as_diagonal
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# check approximate_as_diagonal
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offd = original_bs.copy()
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offd = original_bs.copy()
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@ -53,7 +55,8 @@ offd.approximate_as_diagonal()
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G2 = map1.convert_gf(G1, original_bs, beta=40, n_points=3, show_warnings=False)
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G2 = map1.convert_gf(G1, original_bs, beta=40, n_points=3, show_warnings=False)
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# check full_structure
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# check full_structure
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full = BlockStructure.full_structure([{'up_0': [0, 1], 'up_1': [0], 'down_1': [0], 'down_0': [0, 1]}],None)
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full = BlockStructure.full_structure(
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[{'up_0': [0, 1], 'up_1': [0], 'down_1': [0], 'down_0': [0, 1]}], None)
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# check __eq__
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# check __eq__
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assert full == full, 'equality not correct (equal structures not equal)'
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assert full == full, 'equality not correct (equal structures not equal)'
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