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Implemented 'read_header_and_data()' and 'read_data()'

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'read_data()' is a generator interpreting a file as a sequence of
floats. Lines starting with '#' are ignored.
'read_header_and_data()' reads the header string until a line
"# END ...", initializes a generator 'read_data()', and returns
them.
This commit is contained in:
Oleg Peil 2015-08-24 19:10:29 +02:00 committed by Michel Ferrero
parent 8179b74178
commit 7b2e2a3b6e
1 changed files with 20 additions and 0 deletions
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20
python/converters/vasp/python/vasp_converter.py
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@ -25,6 +25,7 @@ import numpy
from pytriqs.archive import * from pytriqs.archive import *
from converter_tools import * from converter_tools import *
import os.path import os.path
import simplejson as json
class VaspConverter(ConverterTools): class VaspConverter(ConverterTools):
""" """
@ -64,11 +65,30 @@ class VaspConverter(ConverterTools):
""" """
Generator for reading plain data. Generator for reading plain data.
""" """
for line in fh:
line_ = line.strip()
if line_[0] == '#' or line_ == '':
continue
for val in map(float, line.split()):
yield val
def read_header_and_data(self, filename): def read_header_and_data(self, filename):
""" """
Opens a file and returns a JSON-header and the generator for the plain data. Opens a file and returns a JSON-header and the generator for the plain data.
""" """
fh = open(filename, 'rt')
header = ""
for line in fh:
if not "# END" in line:
header += line
else:
break
f_gen = self.read_data(fh)
return header, f_gen
def convert_dft_input(self): def convert_dft_input(self):
""" """
Reads the input files, and stores the data in the HDFfile Reads the input files, and stores the data in the HDFfile