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9144729
Start to analysis filters
dwhswenson May 15, 2021
61d2570
Add shooting points; misc updates to filters
dwhswenson May 17, 2021
0b8aa53
updates to analysis filters
dwhswenson Jun 9, 2021
9527d4b
Add start to tests
dwhswenson Jun 17, 2021
3ce4a88
cleanup of STAGES; several new filters
dwhswenson Jul 5, 2021
b91cb2e
snake_case
dwhswenson Jul 5, 2021
766d81f
add canonical_movers extractor; cleanup
dwhswenson Jul 6, 2021
d17a04a
Add start to docs on extractors and filters
dwhswenson Jul 6, 2021
8ab5a21
get rid of f-strings
dwhswenson Jul 6, 2021
31df2f2
outline tests we need to do
dwhswenson Aug 9, 2021
0ef0885
Merge branch 'master' of github.com:openpathsampling/openpathsampling…
dwhswenson Aug 14, 2021
68ab949
start on test fixtures
dwhswenson Aug 18, 2021
a9456ea
Merge remote-tracking branch 'upstream/master' into analysis_filters
dwhswenson Sep 9, 2021
9a3cb08
split off testing structure (separate PR)
dwhswenson Sep 9, 2021
d8bd07e
Merge branch 'test-analysis-utils' into tmp_test_analysis_filters
dwhswenson Sep 12, 2021
376b876
tests for step filter
dwhswenson Sep 12, 2021
4108ecd
steps toward testing
dwhswenson Sep 19, 2021
6ecd22b
Merge branch 'master' of github.com:openpathsampling/openpathsampling…
dwhswenson Dec 13, 2021
cefb597
Merge branch 'tmp_test_analysis_filters' into analysis_filters
dwhswenson Dec 13, 2021
0fca990
update test_filters for better analysis test utils
dwhswenson Dec 13, 2021
298f73b
fix Py2, more tests
dwhswenson Dec 13, 2021
ec7cb4b
tests for bad input to canonical_mover
dwhswenson Dec 14, 2021
8aaa92a
test_extractor
dwhswenson Jan 14, 2022
96495a3
Merge remote-tracking branch 'upstream/master' into analysis_filters
dwhswenson Mar 25, 2022
20d12f8
steps toward better docs
dwhswenson May 20, 2022
80bffc4
starting on tests for shooting analysis
dwhswenson Jul 30, 2022
a6c9cf5
Parts of testing for filters
dwhswenson Oct 16, 2022
a31b017
steps toward tests
dwhswenson Dec 26, 2022
a2bd212
Merge remote-tracking branch 'upstream/master' into analysis_filters
dwhswenson Dec 26, 2022
999bea2
Merge remote-tracking branch 'upstream/master' into analysis_filters
dwhswenson Dec 26, 2022
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outline tests we need to do
  • Loading branch information
dwhswenson committed Aug 9, 2021
commit 31df2f275291ac4813c203d02dd6b6936e0b8616
2 changes: 1 addition & 1 deletion openpathsampling/analysis/filters.py
Original file line number Diff line number Diff line change
Expand Up @@ -410,7 +410,7 @@ def _get_modified_shooting_point(step):
return NOT_EXTRACTED
details = step.change.canonical.details
try:
shooting_pt = ...
shooting_pt = details.modified_shooting_snapshot
except AttributeError:
# return the original shooting point for one-way
shooting_pt = details.shooting_snapshot
Expand Down
74 changes: 73 additions & 1 deletion openpathsampling/tests/analysis/test_filters.py
Original file line number Diff line number Diff line change
@@ -1,3 +1,75 @@
from openpathsampling.analysis.filters import *

# need to build a pretty complex test suite here
import pytest

@pytest.fixture
def mstis_network():
pass

def make_shooting_move(scheme, accepted=None, ensemble=None):
pass

def make_repex_move(scheme, accepted=None, ensembles=None):
pass

def make_msouter_move(scheme, accepted=None):
pass

def make_minus_move(scheme, accepted=None):
pass

def test_canonical_mover_step_filter():
pass

def test_trial_replica_step_filter():
pass

def test_trial_ensemble_step_filter():
pass

def test_rejected_steps_filter():
pass

def test_accepted_steps_filter():
pass

def test_all_steps_filter():
pass

def test_all_samples_filter():
pass

def test_ensemble_sample_filter():
pass

def test_replica_sample_filter():
pass

def test_minus_ensemble_sample_filter():
pass

def test_ms_outer_ensemble_sample_filter():
pass

def test_sampling_ensemble_sample_filter():
pass

def test_active_samples_extractor():
pass

def test_trial_samples_extractor():
pass

def test_shooting_steps_filter():
pass

def test_shooting_points_extractor():
pass

def test_modified_shooting_points_extractor():
pass

def test_canonical_movers_extractor():
pass