Can I use Shell or Python realize calling a C programe and give all the parameter it requires? -


i have met problem , have no knowledge whether can realized in shell bash or python.

i need run c programe several times, programe "atompot" tem image simulation. if run programe 

./atompot

its output this:

atompot version dated 8-oct-2012 ejk copyright (c) 1998-2010 earl j. kirkland program provided as-is absolutely no warranty under gnu general public license  calculate projected atomic potentials (to use in multislice) using fftw  name of file input crystal data :

then need give input crtstal data file like:

stra.dat

then can get:

name of file binary output of atomic potential :

then give name:

straa.tif

then get:

real space dimensions in pixels nx, ny :

your answer :

512 512

then output like:

 replicate unit cell ncellx,ncelly,ncellz :

answer:

  8 8 8

ask:

  want add thermal displacements atomic coord.? (y/n) :

answer:

  n

the proceduess this. can use shell or python realize calling c programe , give parameter requires make programe run automatically?

for example can change unit cell form 8 8 8 100 100 100. , keep other parameter same. seems can done in sheel script how realize c programe gives instruction of input.

thank you!

if program reads stdin, put in file:

stra.dat straa.tif 512 512 8 8 8 n

and run:

./atompot < filename

if want more complex (ie parse output or implement branching), subprocess.popen in python.


Comments

Post a Comment

Popular posts from this blog

.htaccess - First slash is removed after domain when entering a webpage in the browser -

sometimes when hit address of webpage in browser, removes first slash after domain. examples: www.mywebsite.com/scripts/script_6.php -> trying load www.mywebsite.comscripts/script_6.php www.mywebsite.com/test.php -> trying load www.mywebsite.comtest.php after entering again, loads page. a .htaccess settings must wrong: rewritebase / errordocument 404 http://www.mywebsite.com/oops.php errordocument 401 /notallowed.php rewriteengine on # turn on rewriting engine #gzip <ifmodule mod_deflate.c> addoutputfilterbytype deflate text/text text/html text/plain text/xml text/css application/x- javascript application/javascript </ifmodule> #end gzip rewritecond %{http_host} ^mywebsite\.com rewriterule ^(.*)$ http://www.mywebsite.com$1 [r=permanent,l] directoryindex index6.php rewriterule ^termsofuse/?$ termsofuse.php [nc,l] # handle requests "adpolicy" rewriterule ^privacy-policy/?$ privacy-policy.php [nc,l] # handle requ...
Read more

Socket.connect doesn't throw exception in Android -

if put nonsense url no exception thrown , none of rest of code executed not rest of asynctask called method connects. try { socketcliente.connect(new inetsocketaddress("f", port), 2000); } catch (unknownhostexception e) { geterror("host doesn't exist"); return -1; } catch (ioexception e) { geterror("could not connect: host down"); return -1; } add catch statement. catch ( exception e ) { log.d(tag, e.getmessage(),e); toast.maketext(getapplicationcontext(), "unexpected error:" + e.getmessage(), toast.length_long).show(); } this write log , pop toast tell what's going on.
Read more

SPSS keyboard combination alters encoding -

my question not have programming practical issue on spss. accident keyword combination cannot remember because did not intend press changed encoding in spss , text in data in different language english shown small boxes. nevertheless, when kind of analysis performed different language text shown in output. does know reason? tried change encoding did not produce result. first, @ edit > options , see whether setting unicode or locale. might fix it. if have text in multiple languages, want unicode. otherwise, may have specific locale set wrong. can change set locale, need know locale want use.
Read more