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71044ec
update
jhprinz Aug 13, 2016
c85fc53
fix
jhprinz Aug 13, 2016
c4c8724
fix
jhprinz Aug 13, 2016
67534f1
add tests
jhprinz Aug 14, 2016
044aa82
Merge branch 'ala' into enginefail
jhprinz Aug 19, 2016
88cd009
Merge branch 'ala' into enginefail
jhprinz Aug 19, 2016
ee8590f
update
jhprinz Aug 19, 2016
5e0f6e6
add tests
jhprinz Aug 19, 2016
6051a80
udpate
jhprinz Aug 19, 2016
c499aa5
more tests
jhprinz Aug 19, 2016
a0bf940
added correct errors
jhprinz Aug 19, 2016
f81394d
fix
jhprinz Aug 19, 2016
3895254
updates
jhprinz Aug 19, 2016
6e830cf
Merge branch 'ala' into enginefail
jhprinz Aug 19, 2016
d2cdd58
little updates
jhprinz Aug 20, 2016
50aed24
Merge branch 'ala' into enginefail
jhprinz Aug 21, 2016
61411d8
fix a special case in a test
jhprinz Aug 21, 2016
d8d696f
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 22, 2016
3daf330
add tests
jhprinz Aug 23, 2016
207546d
fix test using nan template
jhprinz Aug 23, 2016
150f464
update test
jhprinz Aug 23, 2016
3acb843
fix default options
jhprinz Aug 23, 2016
0f81a6e
fix test
jhprinz Aug 23, 2016
f8061b5
fixes
jhprinz Aug 23, 2016
8bf1568
cleanup
jhprinz Aug 23, 2016
f7113aa
add example notebook
jhprinz Aug 23, 2016
5643ecf
little cleanup
jhprinz Aug 23, 2016
9810676
little cleanup
jhprinz Aug 23, 2016
c2eff38
little fix in generate
jhprinz Aug 23, 2016
25cfb40
docstring
jhprinz Aug 23, 2016
454749e
from default `stop` to `fail`
jhprinz Aug 23, 2016
f275912
revert notebook
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873a892
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docstring
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jhprinz committed Aug 23, 2016
commit 25cfb4009ba17ce77b77b28ac49c588322980971
25 changes: 11 additions & 14 deletions openpathsampling/engines/dynamics_engine.py
Original file line number Diff line number Diff line change
Expand Up @@ -55,23 +55,21 @@ class DynamicsEngine(StorableNamedObject):
----------
on_nan : str
set the behaviour of the engine when `NaN` is detected. Possible is
1. `fail` will raise an exception
2. `ignore` will completely ignore it and continue
3. `retry` will rerun the trajectory (default)
retries_when_nan : int, default: 2
the number of retries (if chosen) before an exception is raised
1. `fail` will raise an exception `EngineNaNError`, user can catch it (like movers do) or let it fail
2. `retry` will rerun the trajectory in engine.generate, that causes incorrect acceptance
on_error : str
set the behaviour of the engine when an exception happens. Possible is
1. `fail` will raise an exception
2. `ignore` will completely ignore it and continue
3. `retry` will rerun the trajectory (default)
1. `fail` will raise an exception `EngineError`, user can catch it or let it fail
2. `retry` will rerun the trajectory in engine.generate, that causes incorrect acceptance
on_max_length : str
set the behaviour if the trajectory length is `n_frames_max`. If `n_frames_max == 0` this will be ignored and nothing happens. Possible is
1. `fail` will raise an exception `EngineMaxLengthError`, user can catich it
2. `stop` will stop and return the max length trajectory (default)
3. `retry` will rerun the trajectory in engine.generate, that causes incorrect acceptance
retries_when_nan : int, default: 2
the number of retries (if chosen) before an exception is raised
retries_when_error : int, default: 2
the number of retries (if chosen) before an exception is raised
on_max_length : str
set the behaviour if the trajectory length is n_frames_max. Possible is
1. `fail` will raise an exception
3. `stop` will stop and return the max length trajectory (default)
4. `retry` will rerun the trajectory
retries_when_max_length : int, default: 0
the number of retries (if chosen) before an exception is raised
on_retry : str or callable
Expand All @@ -95,7 +93,6 @@ class DynamicsEngine(StorableNamedObject):

_default_options = {
'n_frames_max': None,
'timestep': None,
'on_max_length': 'stop',
'on_nan': 'fail',
'retries_when_nan': 2,
Expand Down