allow user to choose between INTERNAL and FILE-IO interface

[nathanfranklin]

No description provided.

[nathanfranklin]

Currently we have:

from simphony.engine import lammps

# defaults to FILE-IO
lammps_md_fileio =  lammps.LammpsWrapper()

# FILE-IO
lammps_md_fileio = LammpsWrapper(interface=lammps.InterfaceType.FILEIO)

#INTERNAL
lammps_md_internal = lammps.LammpsWrapper(interface=lammps.InterfaceType.INTERNAL)

Maybe it would be better to have a simple bool:

from simphony.engine import lammps

# defaults to FILE-IO
lammps_md_fileio =  lammps.LammpsWrapper()

# FILE-IO
lammps_md_fileio = LammpsWrapper(use_internal_interface=False)

#INTERNAL
lammps_md_internal = LammpsWrapper(use_internal_interface=True)

and make the changes suggested in #19

[mehdisadeghi]

I think it depends on how many engines we will have. If there are only FileIO and INTERNAL it makes sense to have a boolean flag to choose one over another, otherwise it is better to define interface type explicitly.

[nathanfranklin]

I think it depends on how many engines we will have. If there are only FileIO and INTERNAL it makes sense to have a boolean flag to choose one over another, otherwise it is better to define interface type explicitly.

I completely agree. As we have only two types (FILE-IO and INTERNAL), I will use the boolean.

[nathanfranklin]

closed by #69