[cctbxbb] model selection
Pavel Afonine
pafonine at lbl.gov
Thu Aug 16 15:37:40 PDT 2018
Currently model class has three selection methods:
def selection(self, selstr, optional=True):
def select(self, selection):
def iselection(self, selstr):
which is hideously confusing with zero chance to remember, and also
inconsistent with the rest.
Most objects in cctbx have ".select(self, selection)" methods, while
being inconsistent about what they expect: iselection or boolean
selection as "selection" argument. Some smart ones though can take both
int or bool selections (figure out type automatically, which is trivial).
Can we consolidate all three into one ".select()" that would allow
taking bool or int or str? Or you think there are philosophical
arguments against it?
Pavel
On 8/16/18 15:00, CCTBX commit wrote:
> Repository : ssh://g18-sc-serv-04.diamond.ac.uk/cctbx
> On branch : master
>
> ------------------------------------------------------------------------
>
>
> commit c98b44997e8eb7bf53ee828f510b933cd5167758
> Author: Oleg Sobolev <osobolev at lbl.gov>
> Date: Thu Aug 16 15:00:20 2018 -0700
>
> Proper use of model class
>
>
> ------------------------------------------------------------------------
>
>
> c98b44997e8eb7bf53ee828f510b933cd5167758
> mmtbx/model/model.py | 3 +--
> 1 file changed, 1 insertion(+), 2 deletions(-)
>
> diff --git a/mmtbx/model/model.py b/mmtbx/model/model.py
> index 6f2247452..87412f95c 100644
> --- a/mmtbx/model/model.py
> +++ b/mmtbx/model/model.py
> @@ -2312,8 +2312,7 @@ class manager(object):
> sizes = flex.int()
> h = self.get_hierarchy()
> if(macro_molecule_only):
> - asc = h.atom_selection_cache()
> - s = asc.selection("protein or nucleotide")
> + s = self.selection("protein or nucleotide")
> h = h.select(s)
> for r in h.residue_groups():
> sizes.append(r.atoms().size())
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