The Unix Shell – Extra Unix Shell Material

Learning Objectives {.objectives}

Understand the need for flexibility regarding arguments

Generate the values of the arguments on the fly using command substitution

Understand the difference between pipes/redirection, and the command substitution operator

Introduction

In the Loops topic we saw how to improve productivity by letting the computer do the repetitive work. Often, this involves doing the same thing to a whole set of files, e.g.:

$ cd data/pdb
$ mkdir sorted
$ for file in *cyclo*.pdb; do
>     sort $file > sorted/sorted-$file
> done

In this example, the shell generates for us the list of things to loop over, using the wildcard mechanism we saw in the Pipes and Filters topic. This results in the *cyclo*.pdb being replaced with cyclobutane.pdb cyclohexanol.pdb cyclopropane.pdb ethylcyclohexane.pdb before the loop starts.

Another example is a so-called parameter sweep, where you run the same program a number of times with different arguments. Here is a fictitious example:

$ for cutoff in 0.001 0.01 0.05; do
>   run_classifier.sh --input ALL-data.txt --pvalue $cutoff --output results-$cutoff.txt
> done

In the second example, the things to loop over: "0.001 0.01 0.05" are spelled out by you.

Looping over the words in a string {.callout}

In the previous example you can make your code neater and self-documenting by putting the cutoff values in a separate string:
$ cutoffs="0.001 0.01 0.05"
$ for cutoff in $cutoffs; do
  run_classifier.sh --input ALL-data.txt --pvalue $cutoff --output results-$cutoff.txt
done
This works because, just as with the filename wildcards, $cutoffs is replaced with 0.001 0.01 0.05 before the loop starts.

However, you don’t always know in advance what you have to loop over. It could well be that it is not a simple file name pattern (in which case you can use wildcards), or that it is not a small, known set of values (in which case you can write them out explicitly as was done in the second example). It would therefore be nice if you could loop over filenames or over words contained in a file. Suppose that file cohort2010.txt contains the filenames over which to iterate, then it would be nice to able to say something like:

# (imaginary syntax)
$ for file in [INSERT THE CONTENTS OF cohort2010.txt HERE]
> do
>    run_classifier.sh --input $file --pvalue -0.05 --output $file.results
> done

Command substitution

This would be more general, more flexible and more tractable than relying on the wildcard mechanism. What we need, therefore, is a mechanism that actually replaces everytying beween [ and ] with the desired names of input files, just before the loop starts. Thankfully, this mechanism exists, and it is called the command substitution operator (previously written using the backtick operator). It looks much like the previous snippet:

# (actual syntax)
$ for file in $(cat cohort2010.txt)
> do
>    run_classifier.sh --input $file --pvalue -0.05 --output $file.results
> done

It works simply as follows: everything between the $( and the ) is executed as a Unix command, and the command’s standard output replaces everything from $( up to and including ), just before the loop starts. For convenience, newlines in the command’s output are replaced with simple spaces.

Backtick operator

In legacy code, you may see the same construct but with a different syntax. It starts and ends with backticks, ` (not to be confused with the single quote ' !). The backticks work exactly the same as the command substitution done by $( and ). However its use is discouraged as backticks cannot be nested.

Example

OK. Recall from the Pipes and Filters topic that cat prints the contents of its argument (a filename) to standard output. So, if the contents of file cohort2010.txt look like

patient1033130.txt 
patient1048338.txt 
patient7448262.txt 
.
.
.
patient1820757.txt

then the construct

$ for file in $(cat cohort2010.txt)
> do
>     ...
> done

will be expanded to

$ for file in patient1033130.txt patient1048338.txt patient7448262.txt ... patient1820757.txt
> do
>     ...
> done

(notice the convenience of newlines having been replaced with simple spaces).

This example uses $(cat somefilename) to supply arguments to the for variable in ... do ... done-construct, but any output from any command, or even pipeline, can also be used. For example, if cohort2010.txt contains a few thousand patients but you just want to try the first two for a test run, you can use the head command to just get the first few lines of its argument, like so:

$ for file in $(cat cohort2010.txt | head -n 2)
> do
>     ...
> done

which will expand to

$ for file in patient1033130.txt patient1048338.txt
> do
>     ...
> done

simply because cat cohort2010.txt | head -n 2 produces patient1033130.txt patient1048338.txt after the command substitution.

Everything between the $( and ) is executed verbatim by the shell, so also the -n 2 argument to the head command works as expected.

Important

Recall from the Loops and the Shell Scripts topics that Unix uses whitespace to separate command, options (flags) and parameters / arguments. For the same reason it is essential that the command (or pipeline) inside the backticks produces clean output: single word output works best within single commands and whitespace- or newline-separated words works best for lists over which to iterate in loops.

Generating filenames based on a timestamp {.challenge}

It can be useful to create the filename ‘on the fly’. For instance, if some program called qualitycontrol is run periodically (or unpredictably) it may be necessary to supply the time stamp as an argument to keep all the output files apart, along the following lines:
qualitycontrol --inputdir /data/incoming/  --output qcresults-[INSERT TIMESTAMP HERE].txt
Getting [INSERT TIMESTAMP HERE] to work is a job for the command subsitution operator. The Unix command you need here is the date command, which provides you with the current date and time (try it).

In the current form, its output is less useful for generating filenames because it contains whitespace (which, as we know from now, should preferably be avoided in filenames). You can tweak date’s format in great detail, for instance to get rid of whitespace:
$ date +"%Y-%m-%d_%T"
(Try it).

Write the command that will copy a file of your choice to a new file whose name contains the time stamp. Test it by executing the command a few times, waiting a few seconds between invocations (use the arrow-up key to avoid having to retype the command)

Juggling filename extensions {.challenge}

When running an analysis program with a certain input file, it is often required that the output has the same name as the input, but with a different filename extension, e.g.
$ run_classifier.sh --input patient1048338.txt --pvalue -0.05 --output patient1048338.results
A good trick here is to use the Unix basename command. It takes a string (typically a filename), and strips off the given extension (if it is part of the input string). Example:
$ basename patient1048338.txt    .txt
gives
patient1048338
Write a loop that uses the command substitution operator and the basename command to sort each of the *.pdb files into a corresponding *.sorted file. That is, make the loop do the following:
$ sort ammonia.pdb > ammonia.sorted
but for each of the .pdb-files.

Closing remarks

The command subsitution operator provides us with a powerful new piece of ‘plumbing’ that allows us to connect “small pieces, loosely together” to keep with the Unix philosophy. It is remotely similar to the | operator in the sense that it connects two programs. But there is also a clear difference: | connects the standard output of one command to the standard input of another command, where as $(command) is substituted ‘in-place’ into the the shell script, and always provides parameters, options, arguments to other commands.

Extra Unix Shell Material: The Unix Shell

Learning Objectives {.objectives}