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Modified aggregation method
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tanishy7777 committed Dec 28, 2024
1 parent edfe0c7 commit dc6e903
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions package/MDAnalysis/analysis/polymer.py
Original file line number Diff line number Diff line change
Expand Up @@ -40,8 +40,7 @@
from .. import NoDataError
from ..core.groups import requires, AtomGroup
from ..lib.distances import calc_bonds
from .base import AnalysisBase
from .results import ResultsGroup
from .base import AnalysisBase, ResultsGroup

logger = logging.getLogger(__name__)

Expand Down Expand Up @@ -306,7 +305,7 @@ def _conclude(self):
self._perform_fit()

def _get_aggregator(self):
return ResultsGroup(lookup={'bond_autocorrelation': ResultsGroup.ndarray_sum})
return ResultsGroup(lookup={'bond_autocorrelation': ResultsGroup.ndarray_vstack})

def _calc_bond_length(self):
"""calculate average bond length"""
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