[Tutor] A Multiple Concatenation Problem

[Stephen P. Molnar]

On 09/19/2020 05:19 PM, Alan Gauld via Tutor wrote:
> On 19/09/2020 19:52, Stephen P. Molnar wrote:
>> Thanks to help I've received from folks on this list I have gotten to a
>> place where I am well land truly stuck.
> The problem here is that you are assuming we know a lot more
> about your problem than we do. We are software engineers who
> are familiar with Python.
>
> We have no idea about ligands. We have no idea about your analysis
> nor about what data you are trying to generate/capture. As a
> scientist, which I assume is what you are, you should be familiar
> with the need for precision. But in your description it is
> anything but precise:
>
>
>> In a modeling problem that I have, I have a list of 31 ligands to which
>> I wish to attach a suffix . i.log where I runs from 1 to 10.
> So you wish to affix a suffix to a ligand. What is a ligand?
> What suffix do you wish to attach?
> You mention both i and I above - are they the same thing?

A ligand in nothing more than a name!

>> The list begins:
>>
>> 2-Phloroeckol
>> 7-Phloroeckol plus 29 more names
> So are we to assume that 2-Phloroeckol is an example of a single ligand?
>
A correct assumption.
>> The script, so far, is:
>>
>> filename = 'Ligand.list'
>> file = open(filename,mode='r')
>> text = file.read()
>> file.close()
> So now we have a variable called text that contains the full contents
> of your file Ligand.list
>
>> for suf in range(1, 11):
>>       filename = f"{text}.{suf}.log"
> And here we generate (but never store) 10 filenames.
> Those filenames all have the format:
> <the full contents of the file>.<suf>.log
> where suf ranges from 1 to 10.
>
>> The result is:
> The result of what? You don't print anything or store anything?
> The result should be a single filename of the format
> <full content of file>.10.log
>
>> a list of the 32 ligands
> 32? You said there were only 31. Where did the extra one come from?
>
Oops. A slip of the fingers on the keyboard. The correct number of names 
(ligands) at this time is 31.
>> a blank line
>> .10.log
> For a blank line to appear you'd need to be printing something.
> But you don't show us any print code. The .10.log suggests that
> text is in fact empty.
>
> You need to show us exactly what you want to produce and
> from which data. Showing us all the code will help too,
> otherwise we are just guessing.
>
>> data = np.genfromtxt(fname, skip_header=28)
>> Affinity = (data[0, 1])
> Again, that means next to nothing to most of us.
> It's just 2 lines of code that could do anything.
>
>> However, until I get the correct output from the first portion of the
>> script I can get no further. I'm sure that I have missed something
>> fundamental, but I can't faind any references to a solution to the
>> problem.
> That's not surprising since you have not yet fully described the
> problem at a level that a computer can solve.
>
More in a replt y top a later response to my email.

-- 
Stephen P. Molnar, Ph.D.
www.molecular-modeling.net
614.312.7528 (c)
Skype:  smolnar1