#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Mon Oct 17 18:08:47 2016
@author: tztz
"""
#f = open("ga30_10.out","r") #opens file with name of "test.txt"
#print(f.read(1))
#print(f.read())
#
#schreibt eine Datei was
with open("ga30_10.out") as infile, open("../was","w") as outfile:
collector = []
for line in infile:
if line.startswith("tilt="):
collector = []
collector.append(line)
if line.startswith("tilt="):
for outline in collector:
outfile.write(outline)
#noch nicht getest
whole_data = []
grab_lines = False
with open('input','r') as atom_file:
molecule_data = ['23\n\n']
for line in atom_file:
if line.startswith('coordinates'):
grab_lines = True
continue
elif line.startswith('velocities'):
grab_lines = False
if molecule_data:
#just checks that we aren't appending an empty list.
molecule_data.append('\n')
whole_data.append(molecule_data)
molecule_data = ['23\n\n']
if grab_lines: #in python 'is True' is implicit for many types.
molecule_data.append(line)
with open('output','w') as out_file:
for molecule in whole_data:
out_file.write(''.join(molecule))
