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BlockStructure: show warnings only when above threshold
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@ -2,6 +2,7 @@ import copy
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import numpy as np
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from pytriqs.gf import GfImFreq, BlockGf
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from ast import literal_eval
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import pytriqs.utility.mpi as mpi
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from warnings import warn
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class BlockStructure(object):
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@ -298,12 +299,21 @@ class BlockStructure(object):
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the structure of that G
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ish : int
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shell index
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show_warnings : bool
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show_warnings : bool or float
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whether to show warnings when elements of the Green's
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function get thrown away
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if float, set the threshold for the magnitude of an element
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about to be thrown away to trigger a warning
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(default: 1.e-10)
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**kwargs :
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options passed to the constructor for the new Gf
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"""
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warning_threshold = 1.e-10
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if isinstance(show_warnings, float):
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warning_threshold = show_warnings
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show_warnings = True
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G_new = self.create_gf(ish=ish,**kwargs)
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for block in G_struct.gf_struct_solver[ish].keys():
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for i1 in G_struct.gf_struct_solver[ish][block]:
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@ -314,14 +324,16 @@ class BlockStructure(object):
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i2_sol = self.sumk_to_solver[ish][i2_sumk]
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if i1_sol[0] is None or i2_sol[0] is None:
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if show_warnings:
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warn(('Element {},{} of block {} of G is not present '+
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'in the new structure').format(i1,i2,block))
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if mpi.is_master_node():
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warn(('Element {},{} of block {} of G is not present '+
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'in the new structure').format(i1,i2,block))
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continue
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if i1_sol[0]!=i2_sol[0]:
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if show_warnings:
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warn(('Element {},{} of block {} of G is approximated '+
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'to zero to match the new structure.').format(
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i1,i2,block))
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if show_warnings and np.max(np.abs(G[block][i1,i2].data)) > warning_threshold:
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if mpi.is_master_node():
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warn(('Element {},{} of block {} of G is approximated '+
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'to zero to match the new structure. Max abs value: {}').format(
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i1,i2,block,np.max(np.abs(G[block][i1,i2].data))))
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continue
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G_new[i1_sol[0]][i1_sol[1],i2_sol[1]] = \
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G[block][i1,i2]
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