How to append values as a new coloumn to existing text file using python
Question
I tried to append values to a file. First I unpack values from i, j from frozen set and then I append those values to a file. Again I need to append x values in another column rather than at the end of file. Kindly help me in this regard.
from __future__ import print_function
from molmod import *
from molmod.bonds import bonds
import glob
for file in glob.glob("*.xyz"):
mol = Molecule.from_file(file)
mol.graph = MolecularGraph.from_geometry()
bos = list(mol.graph.edges)
for edge in bos:
i, j = edge
print(i, j, file = open(file.replace('xyz', 'txt'), 'a'))
s = list(mol.graph.orders)
for x in s:
print(x, file = open(file.replace('xyz', 'txt'), 'a'))
Output file:
4 5
1 2
2 3
1 4
4 6
6 7
0 1
8 9
8 10
10 11
11 13
13 15
16 15
16 17
8 6
10 2
11 12
13 14
18 19
18 20
25 20
25 27
16 18
27 15
21 22
21 23
24 21
20 21
25 26
27 28
1.0
2.0
1.0
2.0
2.0
1.0
1.0
1.0
2.0
1.0
1.0
1.0
2.0
Desired Output :
4 5 1.0
1 2 2.0
2 3 1.0
1 4 2.0
4 6 2.0
6 7 1.0
0 1 1.0
8 9 1.0
8 10 2.0
10 11 1.0
11 13 1.0
13 15 1.0
16 15 2.0
16 17 1.0
8 6 2.0
10 2 2.0
11 12 1.0
13 14 1.0
18 19 2.0
18 20 1.0
25 20 1.0
25 27 1.0
16 18 1.0
27 15 2.0
21 22 1.0
21 23 1.0
24 21 1.0
20 21 1.0
25 26 2.0
27 28 1.0
2 answers
solution1
1 2020-02-06 06:04:25
You can create 3 columns in one pass, so there is no need to "append" anything. It is like:
bos = list(mol.graph.edges)
s = list(mol.graph.orders)
f = open(file.replace('xyz', 'txt'), 'a')
for i in range(len(bos)):
i, j = bos[i]
print(i, j, s[i], file = f)
If you want to append another column to the file created above, you need to read the lines from the file, append the text to each line, and write them back to the file.
myNewData = [1, 2, 999, 444] #new data to append to an existing file
f = open(file.replace('xyz', 'txt'), 'r+') #open an existing file
allLines = f.read().split("\n") #read all lines from the file
f.seek(0) #rewind the file pointer to start writing from the first line
for i in range(min(len(allLines), len(myNewData))):
print(allLines[i], myNewData[i], file = f) #append new data to each line
f.close() #done
solution2
0 2020-02-06 05:29:02
If you want to append some value at the end of a line then, just do that.
with open(filename, "w") as f: # open in write mode
for x in s:
x = str(x) + your_value + "\n" # assuming x can be converted to string
f.write(x)
Hope that helps.
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