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chirag-v / acetylene.xyz
Last active December 12, 2015 14:39
Cartesian coordinate of acetaldehyde from avogadro
0 1
C -1.20326 2.85220 0.25234
H -0.37439 3.51897 0.03795
C -1.82835 2.05722 -0.84623
O -1.62242 2.75455 1.39418
H -1.31730 2.27626 -1.80702
H -2.90224 2.32334 -0.93775
H -1.73531 0.97336 -0.62482
@chirag-v
chirag-v / filecopy-shutil.py
Last active December 12, 2015 14:09
copying content of file into a new file using shutil
import shutil
with open('/home/user/acetylene.xyz','r') as fsrc:
with open('/home/user/acetylene-copy.xyz','w') as fdst:
shutil.copyfileobj(fsrc, fdst)
@chirag-v
chirag-v / readfile2.py
Last active December 12, 2015 13:39
with open file as file_stream: (Prefered way)
with open('/home/user/acetylene.xyz','r') as a_file:
print(a_file.read())
if a_file.closed is True:
print("You won't see this")
if a_file.closed is True:
print ("file is closed now!")
@chirag-v
chirag-v / readfile.py
Last active December 12, 2015 13:39
reading file old try/finally way
try:
f = open('/home/user/acetylene.xyz')
while True:
line = f.readline()
if len(line) == 0:
break
print(line, end=' ')
finally:
f.close()
print('file is closed now!')