[ase-users] How to check if a POSCAR file has constraints?

[fabian]

Dear Duy Le,

Thank you for your answer! I think now i got it....

So the list of constraints is not "non existent" but only "empty"?


Than i could use:


if not atoms.constraints:
         do something......

No?

all the best

fabian





Am 31.01.2018 um 16:45 schrieb Duy Le:
> There maybe better way but you can simply use
> len(atoms.constraints)
>
> 0: no constraint
>
> On Wed, Jan 31, 2018 at 9:55 AM, fabian via ase-users 
> <ase-users at listserv.fysik.dtu.dk 
> <mailto:ase-users at listserv.fysik.dtu.dk>> wrote:
>
>     Dear all,
>
>     I want to check if a certain POSCAR file has constraints or not.
>
>     I tried it like this:
>
>     atoms=read(FILENAME)
>
>     if atoms.constraints is None:
>
>         pass
>
>     else:
>
>          do something
>
>     but this does not work it seems. Even if no constraints are
>     present i still come out of the else statement.
>
>     On a side not...what library is ASE using to display the ase gui ?
>     I have no menu entrys and the gui is broken
>     under ubuntu artfull.
>
>     All the best
>
>     fabian
>
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