Revision dc4ec46508a2581026d123ca48d5dc0a9bc38ca3 authored by mimakaev on 09 September 2019, 19:58:51 UTC, committed by mimakaev on 09 September 2019, 19:58:51 UTC
1 parent 568f001
txtToJoblib.py
#(c) 2013 Massachusetts Institute of Technology. All Rights Reserved
# Code written by: Maksim Imakaev (imakaev@mit.edu)
from __future__ import absolute_import, division, print_function, unicode_literals
import os
import joblib
import numpy
import sys
"""
Sample txt file looks like this
next line starts the file
10
x1 y1 z1
x2 y2 z2
....
x10 y10 z10
So the file has the first line with a number of atoms, and then 10 lines with their coordinates
"""
infile = sys.argv[1]
try:
outfile = sys.argv[2]
except:
outfile = sys.argv[1]
lines = open(infile).readlines()[1:]
data = [[float(i) for i in j.split()] for j in lines if len(j) > 3]
data2 = numpy.array(data, dtype=float)
ourdict = {"data": data2, "OldFilename": os.path.abspath(infile)}
joblib.dump(ourdict, outfile, compress=3)
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