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Hotfix: ResidueGroup of an AtomGroup now updated on resname or resnum set #422

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Hotfix: ResidueGroup of an AtomGroup now updated on resname or resnum set #422

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12 changes: 10 additions & 2 deletions package/MDAnalysis/core/AtomGroup.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1697,6 +1697,11 @@ def set_resnums(self, resnum):
"""
self.set("resnum", resnum)

# set the resnum for each of the residues in this AtomGroup's
# ResidueGroup
for residue in self.residues:
residue.resnum = residue[0].resnum

set_resnum = deprecate(set_resnums, old_name='set_resnum', new_name='set_resnums')

def set_resnames(self, resname):
Expand All @@ -1716,10 +1721,13 @@ def set_resnames(self, resname):
.. versionchanged:: 0.11.0
Made plural to make consistent with corresponding property
"""
from MDAnalysis.topology.core import build_residues

self.set("resname", resname, conversion=str)

# set the resname for each of the residues in this AtomGroup's
# ResidueGroup
for residue in self.residues:
residue.resname = residue[0].resname

set_resname = deprecate(set_resnames, old_name='set_resname', new_name='set_resnames')

def set_segids(self, segid):
Expand Down