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Feature: length __len__ in AtomicSystem #109

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@galjos galjos commented Aug 5, 2024

Added __len__ in the AtomicSystem class.

@galjos galjos requested a review from 97gamjak August 5, 2024 19:28
@galjos galjos changed the base branch from main to dev August 5, 2024 19:28
@galjos galjos added the feature New feature or request label Aug 5, 2024
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github-actions bot commented Aug 6, 2024

PYLINT REPORT

Your code has been rated at 9.83/10 (previous run: 9.83/10, +0.00)

Full report

Raw metrics

type number % previous difference
code 7903 39.98 7901 +2.00
docstring 8668 43.85 8660 +8.00
comment 267 1.35 267 =
empty 2931 14.83 2930 +1.00

Duplication

now previous difference
nb duplicated lines 0 0 0
percent duplicated lines 0.000 0.000 =

Messages by category

type number previous difference
convention 1 1 1
refactor 51 51 51
warning 10 10 10
error 3 3 3

% errors / warnings by module

module error warning refactor convention
PQAnalysis.type_checking 66.67 0.00 0.00 0.00
PQAnalysis 33.33 0.00 0.00 0.00
PQAnalysis.atomic_system.atomic_system 0.00 20.00 11.76 0.00
PQAnalysis.topology.init 0.00 20.00 0.00 0.00
PQAnalysis.tools.traj_to_com_traj 0.00 20.00 0.00 0.00
PQAnalysis.io.moldescriptor_reader 0.00 20.00 0.00 0.00
PQAnalysis.utils.custom_logging 0.00 10.00 0.00 0.00
PQAnalysis.io.write_api 0.00 10.00 0.00 0.00
PQAnalysis.io.nep.nep_writer 0.00 0.00 15.69 100.00
PQAnalysis.io.traj_file.trajectory_reader 0.00 0.00 9.80 0.00
PQAnalysis.tools.add_molecule 0.00 0.00 7.84 0.00
PQAnalysis.cli.xyz2gen 0.00 0.00 5.88 0.00
PQAnalysis.analysis.rdf.rdf 0.00 0.00 5.88 0.00
PQAnalysis.topology.topology 0.00 0.00 3.92 0.00
PQAnalysis.topology.bonded_topology.dihedral 0.00 0.00 3.92 0.00
PQAnalysis.io.traj_file.frame_reader 0.00 0.00 3.92 0.00
PQAnalysis.core.residue 0.00 0.00 3.92 0.00
PQAnalysis.atomic_system._standard_properties 0.00 0.00 3.92 0.00
PQAnalysis.traj.formats 0.00 0.00 1.96 0.00
PQAnalysis.topology.selection 0.00 0.00 1.96 0.00
PQAnalysis.topology.bonded_topology.bonded_topology 0.00 0.00 1.96 0.00
PQAnalysis.topology.bonded_topology.bond 0.00 0.00 1.96 0.00
PQAnalysis.topology.bonded_topology.angle 0.00 0.00 1.96 0.00
PQAnalysis.io.restart_file.restart_reader 0.00 0.00 1.96 0.00
PQAnalysis.io.input_file_reader.pq_analysis._parse 0.00 0.00 1.96 0.00
PQAnalysis.io.input_file_reader.pq.pq_input_file_reader 0.00 0.00 1.96 0.00
PQAnalysis.io.input_file_reader.input_file_parser 0.00 0.00 1.96 0.00
PQAnalysis.io.info_file_reader 0.00 0.00 1.96 0.00
PQAnalysis.io.formats 0.00 0.00 1.96 0.00
PQAnalysis.core.cell.cell 0.00 0.00 1.96 0.00

Messages

message id occurrences
too-many-arguments 18
too-many-instance-attributes 10
inconsistent-return-statements 9
fixme 9
too-many-locals 3
too-complex 3
duplicate-code 3
too-many-branches 2
missing-kwoa 2
too-many-statements 1
too-many-return-statements 1
too-many-public-methods 1
too-many-lines 1
possibly-used-before-assignment 1
arguments-differ 1

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galjos commented Aug 6, 2024

@97gamjak __len__ in AtomicSystem blocks pytest execution.

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