问题
I am trying to import a list of chemicals from a txt file which is spaced (not tabbed).
NO FORMULA NAME CAS No A B C D TMIN TMAX code ngas@TMIN ngas@25 C ngas@TMAX
1 CBrClF2 bromochlorodifluoromethane 353-59-3 -0.0799 4.9660E-01 -6.3021E-05 -9.0961E-09 200 1500 2 96.65 142.14 572.33
2 CBrCl2F bromodichlorofluoromethane 353-58-2 4.0684 4.1343E-01 1.6576E-05 -3.4388E-08 200 1500 2 87.14 127.90 545.46
3 CBrCl3 bromotrichloromethane 75-62-7 7.3767 3.5056E-01 6.9163E-05 -4.9571E-08 200 1500 2 79.86 116.73 521.53
4 CBrF3 bromotrifluoromethane 75-63-8 -9.5253 6.5020E-01 -3.4459E-04 1.0987E-07 230 1500 1,2 123.13 156.61 561.26
5 CBr2F2 dibromodifluoromethane 75-61-6 2.8167 4.9405E-01 -1.2627E-05 -2.8629E-08 200 1500 2 100.89 148.24 618.87
6 CBr4 carbon tetrabromide 558-13-4 10.6812 3.2869E-01 1.0739E-04 -6.0788E-08 200 1500 2 80.23 116.62 540.18
7 CClF3 chlorotrifluoromethane 75-72-9 13.8075 4.7487E-01 -1.3368E-04 2.2485E-08 230 1500 1,2 116.23 144.10 501.22
8 CClN cyanogen chloride 506-77-4 0.8665 3.6619E-01 -2.9975E-05 -1.3191E-08 200 1500 2 72.80 107.03 438.19
When I import with pandas
df = pd.read_csv('trial1.txt', sep='\s')
I get:
For first 5 compounds (index 0-4) name is correctly in Name column but for 6th (index 5) and 8th (index 7) compounds - their name is divided because of space and it goes to CAS. Causing CAS column value to go under No column and values and so on subsequently.
Is there a way to eliminate this issue ? Thank you
回答1:
Try this:
You basically have to strip out the spaces between words in the name column. So here I first read the file and then strip out the spaces in the NAME column using re.sub.
In this code, I am assuming that words are separated by atleast 5 letters on either sides. You can change that number {5} as you deem fit.
import re
with open('trial1.txt', 'r') as f:
lines = f.readlines()
l = [re.sub(r"([a-z]{5,})\s([a-z]{5,})", r"\1\2", line) for line in lines]
df = pd.read_csv(io.StringIO('\n'.join(l)), delim_whitespace=True)
Prints:
NO FORMULA NAME CAS No A B C D TMIN TMAX code ngas@TMIN ngas@25 C.1 ngas@TMAX
1 CBrClF2 bromochlorodifluoromethane 353-59-3 -0.0799 0.49660 -0.000063 -9.096100e-09 200 1500 2 96.65 142.14 572.33 NaN NaN
2 CBrCl2F bromodichlorofluoromethane 353-58-2 4.0684 0.41343 0.000017 -3.438800e-08 200 1500 2 87.14 127.90 545.46 NaN NaN
3 CBrCl3 bromotrichloromethane 75-62-7 7.3767 0.35056 0.000069 -4.957100e-08 200 1500 2 79.86 116.73 521.53 NaN NaN
4 CBrF3 bromotrifluoromethane 75-63-8 -9.5253 0.65020 -0.000345 1.098700e-07 230 1500 1,2 123.13 156.61 561.26 NaN NaN
5 CBr2F2 dibromodifluoromethane 75-61-6 2.8167 0.49405 -0.000013 -2.862900e-08 200 1500 2 100.89 148.24 618.87 NaN NaN
6 CBr4 carbontetrabromide 558-13-4 10.6812 0.32869 0.000107 -6.078800e-08 200 1500 2 80.23 116.62 540.18 NaN NaN
7 CClF3 chlorotrifluoromethane 75-72-9 13.8075 0.47487 -0.000134 2.248500e-08 230 1500 1,2 116.23 144.10 501.22 NaN NaN
8 CClN cyanogenchloride 506-77-4 0.8665 0.36619 -0.000030 -1.319100e-08 200 1500 2 72.80 107.03 438.19 NaN NaN
回答2:
I would suggest you put some work on the 'trial1.txt' file before loading it to df. The following code will result to what you finally want to get:
with open ('trial1.txt') as f:
l=f.readlines()
l=[i.split() for i in l]
target=len(l[1])
for i in range(1,len(l)):
if len(l[i])>target:
l[i][2]=l[i][2]+' '+l[i][3]
l[i].pop(3)
l=['#'.join(k) for k in l] #supposing that there is no '#' in your entire file, otherwise use some other rare symbol that doesn't eist in your file
l=[i+'\n' for i in l]
with open ('trial2.txt', 'w') as f:
f.writelines(l)
df = pd.read_csv('trial2.txt', sep='#', index_col=0)
来源：https://stackoverflow.com/questions/65380200/unwanted-white-spaces-resulting-into-distorted-column