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fix: make the progress flag match its help text - #209

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fix: make the progress flag match its help text#209
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fix/progress-flag

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@galjos

@galjos galjos commented Aug 24, 2026

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--progress used store_false, so passing the flag hid the bar its help text promises to show; and the RDF module imported with_progress_bar by value at import time, so the setting never reached its tqdm calls. The parser now uses BooleanOptionalAction (default on, --no-progress to disable), and the RDF reads config.with_progress_bar at call time, as the MSD already does.

Tests pin the three flag states end to end and the call-time binding at both tqdm sites.

Fixes #208.

The --progress option was registered with store_false, so passing
it disabled the progress bar although its help reads "Show progress
bar." It now uses BooleanOptionalAction: --progress shows the bar,
--no-progress hides it, and the default stays enabled.

The RDF module also copied config.with_progress_bar into its
namespace at import time, before the CLI parses arguments, so the
flag never reached the two tqdm loops in the analysis. It now reads
the config attribute at call time like msd, vacf and momentum do.
@galjos
galjos requested a review from 97gamjak August 24, 2026 07:29
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PYLINT REPORT

Your code has been rated at 9.78/10

Full report

Raw metrics

type number % previous difference
code 15657 45.61 NC NC
docstring 13049 38.02 NC NC
comment 463 1.35 NC NC
empty 5156 15.02 NC NC

Duplication

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

Messages by category

type number previous difference
convention 15 NC NC
refactor 136 NC NC
warning 17 NC NC
error 5 NC NC

% errors / warnings by module

module error warning refactor convention
PQAnalysis.type_checking 40.00 0.00 0.00 0.00
PQAnalysis.atomic_system.atomic_system 20.00 11.76 6.62 0.00
PQAnalysis.analysis.vibrational.vibrational_analysis 20.00 0.00 7.35 0.00
PQAnalysis 20.00 0.00 0.00 0.00
PQAnalysis.analysis.vacf._vacf_kernel_py 0.00 11.76 1.47 0.00
PQAnalysis.tools.traj_to_com_traj 0.00 11.76 0.00 0.00
PQAnalysis.io.traj_file._process_lines_py 0.00 11.76 0.00 0.00
PQAnalysis.io.moldescriptor_reader 0.00 11.76 0.00 0.00
PQAnalysis.tools.add_molecule 0.00 5.88 4.41 0.00
PQAnalysis.analysis.rdf._rdf_kernel_py 0.00 5.88 2.21 0.00
PQAnalysis.analysis.msd._msd_kernel_py 0.00 5.88 2.21 0.00
PQAnalysis.io.conversion_api 0.00 5.88 1.47 0.00
PQAnalysis.version 0.00 5.88 0.00 0.00
PQAnalysis.utils.custom_logging 0.00 5.88 0.00 0.00
PQAnalysis.io.write_api 0.00 5.88 0.00 0.00
PQAnalysis.io.restart_file.restart_writer 0.00 0.00 15.44 0.00
PQAnalysis.analysis.rdf.rdf 0.00 0.00 6.62 6.67
PQAnalysis.analysis.msd.msd 0.00 0.00 5.88 33.33
PQAnalysis.io.nep.nep_writer 0.00 0.00 5.15 6.67
PQAnalysis.analysis.vacf.vacf 0.00 0.00 4.41 13.33
PQAnalysis.io.traj_file._slab_parser_py 0.00 0.00 3.68 0.00
PQAnalysis.analysis.vacf.spectrum 0.00 0.00 3.68 0.00
PQAnalysis.io.traj_file.trajectory_reader 0.00 0.00 2.94 0.00
PQAnalysis.topology.bonded_topology.dihedral 0.00 0.00 2.21 0.00
PQAnalysis.core.residue 0.00 0.00 2.21 0.00
PQAnalysis.topology.bonded_topology.bonded_topology 0.00 0.00 1.47 0.00
PQAnalysis.topology.bonded_topology.bond 0.00 0.00 1.47 0.00
PQAnalysis.topology.bonded_topology.angle 0.00 0.00 1.47 0.00
PQAnalysis.io.traj_file.raw_frame_reader 0.00 0.00 1.47 0.00
PQAnalysis.core.cell.cell 0.00 0.00 1.47 0.00
PQAnalysis.atomic_system._standard_properties 0.00 0.00 1.47 0.00
PQAnalysis.analysis.vacf.api 0.00 0.00 1.47 0.00
PQAnalysis.analysis.spectrum_broadening.api 0.00 0.00 1.47 0.00
PQAnalysis.analysis.momentum.api 0.00 0.00 1.47 0.00
PQAnalysis.analysis.vibrational.vibrational_input_file_reader 0.00 0.00 0.74 6.67
PQAnalysis.traj.formats 0.00 0.00 0.74 0.00
PQAnalysis.topology.topology 0.00 0.00 0.74 0.00
PQAnalysis.topology.selection 0.00 0.00 0.74 0.00
PQAnalysis.io.traj_file.frame_reader 0.00 0.00 0.74 0.00
PQAnalysis.io.restart_file.restart_reader 0.00 0.00 0.74 0.00
PQAnalysis.io.input_file_reader.pq_analysis._parse 0.00 0.00 0.74 0.00
PQAnalysis.io.input_file_reader.pq.pq_input_file_reader 0.00 0.00 0.74 0.00
PQAnalysis.io.input_file_reader.input_file_parser 0.00 0.00 0.74 0.00
PQAnalysis.io.info_file_reader 0.00 0.00 0.74 0.00
PQAnalysis.io.formats 0.00 0.00 0.74 0.00
PQAnalysis.analysis.momentum.momentum 0.00 0.00 0.74 0.00
PQAnalysis.core.atom.element 0.00 0.00 0.00 13.33
PQAnalysis.analysis.vacf.vacf_input_file_reader 0.00 0.00 0.00 6.67
PQAnalysis.analysis.rdf.rdf_input_file_reader 0.00 0.00 0.00 6.67
PQAnalysis.analysis.msd.msd_input_file_reader 0.00 0.00 0.00 6.67

Messages

message id occurrences
too-many-positional-arguments 29
too-many-arguments 29
duplicate-code 21
too-many-locals 15
too-many-instance-attributes 13
invalid-name 12
too-complex 9
inconsistent-return-statements 8
fixme 7
too-many-branches 5
missing-type-doc 4
too-many-return-statements 3
too-many-lines 3
unused-import 2
too-many-statements 2
redefined-builtin 2
missing-kwoa 2
use-set-for-membership 1
unexpected-keyword-arg 1
too-many-public-methods 1
possibly-used-before-assignment 1
no-member 1
missing-param-doc 1
arguments-differ 1

@codecov

codecov Bot commented Aug 24, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 93.94%. Comparing base (0961625) to head (2eefbb5).

Additional details and impacted files
@@           Coverage Diff           @@
##              dev     #209   +/-   ##
=======================================
  Coverage   93.94%   93.94%           
=======================================
  Files         177      177           
  Lines        9227     9227           
=======================================
  Hits         8668     8668           
  Misses        559      559           
Flag Coverage Δ
unittests 93.94% <100.00%> (ø)
Files with missing lines Coverage Δ
PQAnalysis/analysis/rdf/rdf.py 99.50% <100.00%> (ø)
PQAnalysis/cli/_argument_parser.py 98.21% <ø> (ø)
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

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