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[transport] Change names, correct some issues in merge

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Simplify writing/reading from h5
This commit is contained in:
Manuel Zingl 2014-11-06 15:39:48 +01:00 committed by Priyanka Seth
parent cc82ba2d5a
commit 9283702fc1
1 changed files with 4 additions and 20 deletions
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24
python/converters/wien2k_converter.py
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@ -59,7 +59,6 @@ class Wien2kConverter(ConverterTools):
self.oubwin_file = filename+'.oubwin' self.oubwin_file = filename+'.oubwin'
# Checks if h5 file is there and repacks it if wanted: # Checks if h5 file is there and repacks it if wanted:
import os.path
if (os.path.exists(self.hdf_file) and repacking): if (os.path.exists(self.hdf_file) and repacking):
ConverterTools.repack(self) ConverterTools.repack(self)
@ -535,28 +534,13 @@ class Wien2kConverter(ConverterTools):
print "Read in %s files done!" %self.oubwin_file print "Read in %s files done!" %self.oubwin_file
# Put data to HDF5 file # Put data to HDF5 file
ar = HDFArchive(self.hdf_file, 'a') ar = HDFArchive(self.hdf_file, 'a')
if not (self.transp_subgrp in ar): ar.create_group(self.transp_subgrp) if not (self.transp_subgrp in ar): ar.create_group(self.transp_subgrp)
# The subgroup containing the data. If it does not exist, it is created. # The subgroup containing the data. If it does not exist, it is created. If it exists, the data is overwritten!!!
# If it exists, the data is overwritten!!! things_to_save = ['bandwin_opt', 'kp', 'vk', 'latticetype', 'latticeconstants', 'latticeangles', 'nsymm', 'symmcartesian',
'taucartesian', 'bandwin']
# Data from .pmat file for it in things_to_save: ar[self.transp_subgrp][it] = locals()[it]
ar[self.transp_subgrp]['bandwin_opt'] = bandwin_opt
ar[self.transp_subgrp]['kp'] = kp
ar[self.transp_subgrp]['vk'] = vk
# Data from .struct file
ar[self.transp_subgrp]['latticetype'] = latticetype
ar[self.transp_subgrp]['latticeconstants'] = latticeconstants
ar[self.transp_subgrp]['latticeangles'] = latticeangles
# Data from .outputs file
ar[self.transp_subgrp]['nsymm'] = nsymm
ar[self.transp_subgrp]['symmcartesian'] = symmcartesian
ar[self.transp_subgrp]['taucartesian'] = taucartesian
# Data from .oubwin files
ar[self.transp_subgrp]['bandwin'] = bandwin
del ar del ar
def convert_symmetry_input(self, orbits, symm_file, symm_subgrp, SO, SP): def convert_symmetry_input(self, orbits, symm_file, symm_subgrp, SO, SP):