[Swift-devel] variable command line options

[Veronika V. Nefedova]

At 12:32 PM 3/2/2007, Ben Clifford wrote:


>On Thu, 1 Mar 2007, Veronika  V. Nefedova wrote:
>
> > The application I am working with accepts a variable number of arguments:
> > could be 10, could be 15 (i.e. some of them are optional). I need to 
> call this
> > application N times with 17 input command line parameters, M times with 18
> > parameters, and X times with 20 parameters. Do I need to define 3 
> functions,
> > one for each set of parameters ? Or there is a better way ? Input 
> parameters
> > is a combination of  strings, filenames and stdin input.
>
>it is possible to make SwiftScript procedures have parameters with default
>values. that isn't exactly what you are asking for, but might be related:
>
>http://www.ci.uchicago.edu/swift/guides/tutorial.php#id2784846
>

yes, I am already doing that since my apps have a lot of default parameters.

>But that doesn't let you change the parameters going to the application
>itself.
>
>Can you give a couple of example command-lines and explain what the
>differences are?


The input parameters to the application are keyword-driven:

This is how the app could be called:

charmm pstep:700 dirname:solv_chg_a8 system:solv_m001 stitle:m001 
cpddata:../alamines rtffile:parm03_gaff_all.rtf 
paramfile:parm03_gaffnb_all.prm gaff:m001_am1 vac: restart:NONE 
inputdir:../inputs faster:off rwater:15 chem:chem minstep:0 rforce:0 
ligcrd:lyz stage:chg urandseed:762192 < solv.inp > solv_chg_a8.out

or this way:

charmm pstep:700 dirname:solv_repu0_0.2_a1 system:solv_m001 stitle:m001 
cpddata:../alamines rtffile:parm03_gaff_all.rtf 
paramfile:parm03_gaffnb_all.prm gaff:m001_am1 vac: restart:NONE 
inputdir:../inputs faster:off rwater:15 chem:chem minstep:0 rforce:0 
ligcrd:lyz stage:repu rcut1:0 rcut2:0.2 urandseed:1522709 < solv.inp > 
solv_repu0_0.2_a1.out

Or this way:

charmm system:solv_m001 title:solv stitle:m001 rtffile:parm03_gaff_all.rtf 
paramfile:parm03_gaffnb_all.prm gaff:m001_am1 nwater:400 ligcrd:lyz 
rforce:0 iseed:3131887 rwater:15 nstep:100 minstep:100 skipstep:100 
startstep:10000 < equil_solv.inp > equil_solv.out


Some of these parameters are constants (default), but majority are not. And 
the number of those that change vary from call to call.

Nika


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