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710eccb
Start to path simulator hooks
dwhswenson Jan 29, 2018
64639b7
Tests for attaching hooks (generic)
dwhswenson Jan 29, 2018
c34bc67
Hooks-based approach seems to work in Committor
dwhswenson Jan 29, 2018
789784b
Add hook state for after_step hook
dwhswenson Jan 30, 2018
c4803d4
Add after_step hook_state to tests
dwhswenson Jan 30, 2018
83cf746
fix problem with hook state for hooks test sim
dwhswenson Feb 1, 2018
3112541
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson May 5, 2018
fad83f6
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Sep 17, 2018
520abf2
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Apr 19, 2019
4a69542
move hooks to beta
dwhswenson Apr 19, 2019
c2597bb
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson May 1, 2019
7b0690b
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Mar 21, 2020
6d1e134
tests for StorageHook
dwhswenson Mar 22, 2020
a2611f1
tests for ShootFromSnapshotsOutputHook
dwhswenson Mar 22, 2020
40a7694
attempt to clean up for Py2
dwhswenson Mar 22, 2020
5dcd421
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Dec 24, 2020
1d66070
Add docs on hooks
dwhswenson Jan 20, 2021
45a774e
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Jan 20, 2021
89473af
Add some other coverage ignore options
dwhswenson Jan 20, 2021
a9df664
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Mar 28, 2021
22461c6
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Jun 4, 2021
be22dd1
Merge remote-tracking branch 'upstream/master' into committor_hooks
dwhswenson Jun 18, 2021
d59b306
before_sim gets kwargs; after_sim gets hook_state
dwhswenson Jun 18, 2021
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move hooks to beta
  • Loading branch information
dwhswenson committed Apr 19, 2019
commit 4a69542f43247d1bf543b94175579fa9e971d14d
1 change: 1 addition & 0 deletions openpathsampling/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -161,6 +161,7 @@


import openpathsampling.numerics as numerics
import openpathsampling.beta

from openpathsampling.engines import Trajectory, BaseSnapshot

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Empty file.
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
import openpathsampling as paths
from .path_simulator import PathSimulator
from openpathsampling.pathsimulators.path_simulator import PathSimulator
from openpathsampling.netcdfplus import StorableNamedObject

"""
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2 changes: 1 addition & 1 deletion openpathsampling/pathsimulators/shoot_snapshots.py
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@

logger = logging.getLogger(__name__)
from .path_simulator import PathSimulator, MCStep
from . import hooks
from openpathsampling.beta import hooks

class ShootFromSnapshotsSimulation(PathSimulator):
"""
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2 changes: 1 addition & 1 deletion openpathsampling/tests/pathsimulators/test_hooks.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@

import openpathsampling as paths

from openpathsampling.pathsimulators.hooks import *
from openpathsampling.beta.hooks import *

import logging
logging.getLogger('openpathsampling.initialization').setLevel(logging.CRITICAL)
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1 change: 1 addition & 0 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -194,6 +194,7 @@ def build_keyword_dictionary(prefs):
'include_package_data': True,
'packages': [
'openpathsampling',
'openpathsampling.beta',
'openpathsampling.storage',
'openpathsampling.storage.stores',
'openpathsampling.tests',
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