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fix: fixes crash when dipole count is smaller than expected max during file write

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This commit is contained in:
Deepak Mallubhotla 2022-05-07 14:46:56 -05:00
parent feeb03b27c
commit b5e0ecb528
Signed by: deepak
GPG Key ID: BEBAEBF28083E022
1 changed files with 11 additions and 6 deletions
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17
deepdog/bayes_run_simulpairs.py
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@ -291,12 +291,17 @@ class BayesRunSimulPairs:
"dipole_frequency_1": actual_dipoles.dipoles[0].w, "dipole_frequency_1": actual_dipoles.dipoles[0].w,
} }
for i in range(1, self.n): for i in range(1, self.n):
row_pairs[f"dipole_moment_{i+1}"] = actual_dipoles.dipoles[i].p try:
row_pairs[f"dipole_location_{i+1}"] = actual_dipoles.dipoles[i].s current_dipoles = actual_dipoles.dipoles[i]
row_pairs[f"dipole_frequency_{i+1}"] = actual_dipoles.dipoles[i].w row_pairs[f"dipole_moment_{i+1}"] = current_dipoles.p
row_no_pairs[f"dipole_moment_{i+1}"] = actual_dipoles.dipoles[i].p row_pairs[f"dipole_location_{i+1}"] = current_dipoles.s
row_no_pairs[f"dipole_location_{i+1}"] = actual_dipoles.dipoles[i].s row_pairs[f"dipole_frequency_{i+1}"] = current_dipoles.w
row_no_pairs[f"dipole_frequency_{i+1}"] = actual_dipoles.dipoles[i].w row_no_pairs[f"dipole_moment_{i+1}"] = current_dipoles.p
row_no_pairs[f"dipole_location_{i+1}"] = current_dipoles.s
row_no_pairs[f"dipole_frequency_{i+1}"] = current_dipoles.w
except IndexError as e:
_logger.info(f"Not writing anymore, saw end after {i}")
break
successes_pairs: List[float] = [] successes_pairs: List[float] = []
successes_no_pairs: List[float] = [] successes_no_pairs: List[float] = []