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.
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