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BlockStructure: add deg_shells in str function

This commit is contained in:
Gernot J. Kraberger 2018-02-27 16:31:43 +01:00
parent c1daf2f789
commit 7e82b3eee5

View File

@ -451,8 +451,18 @@ class BlockStructure(object):
keys = sorted(element[ish].keys(),key=keyfun)
for k in keys:
s+=' '+str(k)+str(element[ish][k])+'\n'
s+= "deg_shells "+str( self.deg_shells)+'\n'
s += "deg_shells\n"
for ish in range(len(self.deg_shells)):
s+=' shell '+str(ish)+'\n'
for l in range(len(self.deg_shells[ish])):
s+=' equivalent group '+str(l)+'\n'
if isinstance(self.deg_shells[ish][l],dict):
for key, val in self.deg_shells[ish][l].iteritems():
s+=' '+key+('*' if val[1] else '')+':\n'
s+=' '+str(val[0]).replace('\n','\n ')+'\n'
else:
for key in self.deg_shells[ish][l]:
s+=' '+key+'\n'
return s
from pytriqs.archive.hdf_archive_schemes import register_class