From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri Sep 06 2019 - 04:34:26 CDT

Hi,

this code would not print that error. Please show the code up to the
offending atomselect statement, or we can't help.

Jerome

On Fri, 6 Sep 2019 at 00:03, Alex Hummels <alexhummels_at_me.com> wrote:

> Hello all,
>
> I’m encountering a weird error with tcl. I have a list valid_shells. When
> I use puts, I see that this list is
>
> 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 26 27 28 30
> 31
>
> Now I have a for loop that iterates over this list and prints the value.
> This works until I get to the very last component, where I get the error
>
> atomselect set: 0 data items doesn’t match 1 selected atoms.
>
> In my actual script there is more that happens after this put statement,
> but none of it happens and the loop stops after this error. The loop I’m
> using that gives me this error is below. I’ve tried changing the loop from
> a foreach loop to a for loop, also below, but the error remains the same.
>
> foreach nshell $valid_shells {
> puts $nshell
> }
>
> for {set nshell 1} {$nshell < 32} {incr nshell} {
> if {!($nshell in $valid_shells)} {continue}
> puts $nshell
> }
>
> The only other thing I can think of as pertinent is that the list
> valid_shells was initialized as an empty list, and these numbers were
> successively added with calls to lappend as below
>
> lappend valid_shells $number
>
> Any and all help is much appreciated.
>
> Best,
> Alex
>
>
>