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fix issue #381. #383

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Merged
wanghan-iapcm merged 2 commits into from
Dec 1, 2022
Merged

fix issue #381. #383

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64e34b7
fix issue #381. The returned system should be of the same type as the…
Nov 29, 2022
3acea37
raise run time error when the labeled system is perturbed
Nov 30, 2022
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5 changes: 5 additions & 0 deletions dpdata/system.py
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Original file line number Diff line number Diff line change
Expand Up @@ -810,6 +810,11 @@ def perturb(self,
perturbed_system : System
The perturbed_system. It contains `pert_num` * frame_num of the input system frames.
"""
if type(self) is not dpdata.System:
raise RuntimeError(
f'Using method perturb() of an instance of {type(self)}. '
f'Must use method perturb() of the instance of class dpdata.System.'
)
perturbed_system = System()
nframes = self.get_nframes()
for ii in range(nframes):
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