Question

我从大的CSV日志中提取一些看起来像

的相关数据，这是一项非常重要的任务

Frame #,Residue,Internal,van der Waals,Electrostatic,Polar Solvation,Non-Polar Solv.,TOTAL
1,1,119.745,0.356,-132.009,-95.618,1.7886312,-105.7373688
1,2,106.093,-3.835,-182.473,40.582,0.7132608,-38.9197392
1,3,21.228,-1.744,-38.026,-7.707,1.1189664,-25.1300336
1,4,-5.717,-4.721,-30.38,-4.839,0.406512,-45.250488
1,5,70.846,-4.127,-53.317,-2.534,0.7808472,11.6488472
...
2,1,119.745,0.356,-132.009,-95.618,1.7886312,-105.7373688
2,2,106.093,-3.835,-182.473,40.582,0.7132608,-38.9197392
2,3,21.228,-1.744,-38.026,-7.707,1.1189664,-25.1300336
2,4,-5.717,-4.721,-30.38,-4.839,0.406512,-45.250488
2,5,70.846,-4.127,-53.317,-2.534,0.7808472,11.6488472
...
n,1,119.745,0.356,-132.009,-95.618,1.7886312,-105.7373688
n,2,106.093,-3.835,-182.473,40.582,0.7132608,-38.9197392
n,3,21.228,-1.744,-38.026,-7.707,1.1189664,-25.1300336
n,4,-5.717,-4.721,-30.38,-4.839,0.406512,-45.250488
n,5,70.846,-4.127,-53.317,-2.534,0.7808472,11.6488472

这里我想从第2列（#residue）中选择指定的一个值，并根据第1列（#total energy）编写其最后一列（#total energy）的evolution（#snapshot number列的函数）#frame数）。换句话说，我需要1）按照第2列的方式对所有数据进行排序）：即选择第二列中的数字等于指定值的每个字符串（即n = 27）

#Frame, #Residue

1,27, ... , # last column value which is interested for me!
2,27, ... , # last column value which is interested for me!
3,27, ... , # last column value which is interested for me!
3,27, ... , # last column value which is interested for me!

并提取其最后一列的相应值，以便得出的日志将具有onlu 3列：

#Frame, #Residue, # Total energy

1,27, # last column value which is interested for me!
2,27, # last column value which is interested for me!
3,27, # last column value which is interested for me!
3,27, # last column value which is interested for me!

感谢使用awk和sed的任何实现！

谢谢！

格列勃

Answer 1

要在第二列中提取27行，您可以使用grep：

  grep '^[^,]\+,27,' input.csv
        | |   |
beginning |   |
    not comma |
              repeated

要仅输出第1列，第2列和第8列，请使用cut：

grep '^[^,]\+,27' input.csv | cut -d, -f1,2,8
                                   |   |
                             delimiter |
                                      fields

要按第二列对文件进行排序，您可以使用sort：

sort -t, -nk2,2 input.csv
      |   | |
delimiter | |
    numeric |
    sort    by only the second field

Answer 2

这是一个awk解决方案：

awk -v n=27 'BEGIN { OFS = FS = "," } $2 == n { print $1, $2, $NF }' input.csv

-v n=27 - 首先分配一个awk变量n值27
BEGIN { OFS = FS = "," } - 在awk开始解析任何数据之前运行BEGIN部分。这里我们将FS（字段分隔符）和OFS（输出字段分隔符）都设置为＆＃34;，＆＃34;，以便输入行和输出行将用逗号分隔/分隔。
$2 == n { print $1, $2, $NF } - 对于第二个字段（$ 2）等于n的任何记录（行），输出第一个，第二个和最后一个字段。

在 m 匹配后停止：

awk -v n=27 -v m=3 'BEGIN { OFS = FS = "," } $2 == n { print $1, $2, $NF; if (++count == m) exit}' input.csv

使用bash实用程序提取文本数据

2 个答案: