From dc6e903f142cd00514e6650141d57803242e3dfd Mon Sep 17 00:00:00 2001 From: tanishy7777 <23110328@iitgn.ac.in> Date: Sat, 28 Dec 2024 16:12:53 +0530 Subject: [PATCH] Modified aggregation method --- package/MDAnalysis/analysis/polymer.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/package/MDAnalysis/analysis/polymer.py b/package/MDAnalysis/analysis/polymer.py index 61042a8755..55119a5d6b 100644 --- a/package/MDAnalysis/analysis/polymer.py +++ b/package/MDAnalysis/analysis/polymer.py @@ -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__) @@ -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"""