Closed rvhonorato closed 2 years ago
Merging #61 (257a731) into main (fb9199d) will increase coverage by
0.01%
. The diff coverage is33.33%
.
@@ Coverage Diff @@
## main #61 +/- ##
==========================================
+ Coverage 99.81% 99.82% +0.01%
==========================================
Files 28 28
Lines 6861 6729 -132
Branches 1028 1029 +1
==========================================
- Hits 6848 6717 -131
+ Misses 11 9 -2
- Partials 2 3 +1
Impacted Files | Coverage Δ | |
---|---|---|
ihm/dumper.py | 99.87% <33.33%> (-0.13%) |
:arrow_down: |
src/ihm_format.c | 98.51% <0.00%> (+0.16%) |
:arrow_up: |
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1. This line is too long (`flake8` limits lines to 80 chars).
Sorry I pushed the wrong version, this was just to test, just updated it.
2. Would be much cleaner and simpler to use `auth_seq_id=atom.residue.auth_seq_id` here as `auth_seq_id` is a per-residue property.
Thanks for the suggestion, this one raises an attribute error, is the syntax correct?
Traceback (most recent call last):
File "/Users/rodrigo/repos/python-ihm/examples/simple-docking.py", line 146, in <module>
ihm.dumper.write(fh, [system])
File "/Users/rodrigo/repos/python-ihm/ihm/dumper.py", line 3166, in write
d.dump(system, writer)
File "/Users/rodrigo/repos/python-ihm/ihm/dumper.py", line 1419, in dump
seen_types = self.dump_atoms(system, writer)
File "/Users/rodrigo/repos/python-ihm/ihm/dumper.py", line 1488, in dump_atoms
auth_seq_id=atom.residue.auth_seq_id,
AttributeError: 'Atom' object has no attribute 'residue'
AttributeError: 'Atom' object has no attribute 'residue'
Oh, you're right. Let's merge what you have so far (it should work in most cases) and I'll fix this later.
This is a PR closes #60. Since the addition of
_atom_site.auth_seq_id
adds a line to the .cif file of the examples, I patched them too.If this was not an issue in the first place please fell free to close this PR.