[Swift-devel] Re: passing types and variables in swift

[Veronika Nefedova]

Sure. You can see the generated swift script (for 3 molecules) here:   
http://www.ci.uchicago.edu/~nefedova/MolDyn-3-loops.swift

Nika

On Oct 5, 2007, at 8:58 AM, Michael Wilde wrote:

> Thanks, Nika.
>
> Can you also post a sample generate swift script, say for a dataset  
> of 3 molecules or members?
>
> - Mike
>
>
> On 10/5/07 8:31 AM, Veronika Nefedova wrote:
>> The code is here: http://www.ci.uchicago.edu/~nefedova/gen-swift- 
>> loops
>> the relevant piece is toward the end:
>> First you construct in your shell script the string, in my case it  
>> was the strings $output_files and $outp_files. Then you define  
>> swift arrays and write it into your .swift (or .dtm) file:
>> cat  >> ./MolDyn.dtm <<EOFF
>> ($outp_files) = GENERATOR (whamfiles, s);
>> string tout = @strcat ("\1_",s,".out");
>> file outf[] <fixed_array_mapper;files="$output_files">;
>> file outfiles[]  
>> <structured_regexp_mapper;source=outf,match="(.*).out",  
>> transform=tout>;
>> string INPUT[];
>> EOFF
>> Then you populate the arrays with the values (in my case - the  
>> values are the results from applications):
>> cat  >> ./MolDyn.dtm <<EOFF
>> INPUT[$i] = @strcat("input:","$inp2","_",s);
>> outfiles [$i] = CHARMM4 ($inp1, whaminp, s1,INPUT[$i] );
>> EOFF
>> (you do the above inside the loop in your shell script).
>> Hope this helps,
>> NIka
>> On Oct 5, 2007, at 12:27 AM, Michael Wilde wrote:
>>> Nika, can you post or send the moldyn code which you generate to  
>>> deal with a similar problem to this?
>>>
>>> I thought you mentioned that it was already online but I cant  
>>> find it.
>>>
>>> Thanks,
>>>
>>> - Mike
>>>
>>>
>>> On 10/4/07 11:53 AM, Ben Clifford wrote:
>>>> On Thu, 4 Oct 2007, Michael Wilde wrote:
>>>>> is one way to do this to 'eval' a file containing swift  
>>>>> expressions?
>>>>> Or, to #include them?
>>>>> This would look like a keyword-based value file
>>>>>
>>>>> myparms.rho[0]=0.1 mparms.theta[0]=0.2
>>>>> myparms.rho[1]=0.4 mparms.theta[0]=0.8
>>>>> ...
>>>>> myparms.rho[N-1]=0.etc mparms.theta[etc]=0.etc
>>>>>
>>>>> even if not as clean as extractcsv, it might be both fast and  
>>>>> useful for many
>>>>> other purposes.
>>>> you can do that already - generate a swiftscript source file  
>>>> from some other source. nika did something like this (and still  
>>>> does, but to a lesser extent) for moldyn.
>>>
>