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nexus: include changes in pwscf_postprocessors

This commit is contained in:
Jaron Krogel 2017-11-06 13:19:57 -05:00
parent edb0733130
commit c57a843db4
1 changed files with 15 additions and 17 deletions
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32
nexus/library/pwscf_postprocessors.py
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@ -339,23 +339,21 @@ class NamelistInput(SimulationInput):
def write_text(self,filepath=None):
cls = self.__class__
text = ''
if len(cls.namelist_set)==0:
for name,namelist in self.iteritems():
text += namelist.write_text()+'\n'
#end for
else:
for name,namelist in self.iteritems():
if name in cls.namelist_set:
text += namelist.write_text()+'\n'
else:
msg = 'encountered invalid namelist during write\ninvalid namelist: {0}\nvalid namelists are: {1}'.format(name,cls.namelists)
if filepath!=None:
msg += '\nfilepath: {0}'.format(filepath)
#end if
self.error(msg)
for name,namelist in self.iteritems():
if name not in cls.namelist_set:
msg = 'encountered invalid namelist during write\ninvalid namelist: {0}\nvalid namelists are: {1}'.format(name,cls.namelists)
if filepath!=None:
msg += '\nfilepath: {0}'.format(filepath)
#end if
#end for
#end if
self.error(msg)
#end if
#end for
for name in cls.namelists:
if name in self:
namelist = self[name]
text += namelist.write_text()+'\n'
#end if
#end for
return text
#end def write_text
#end class NamelistInput
@ -411,7 +409,7 @@ class PPPlotNamelist(Namelist):
class PPInput(NamelistInput):
namelists = ['pp']
namelists = ['inputpp','plot']
namelist_classes = obj(
inputpp = PPInputppNamelist,
plot = PPPlotNamelist,