From 0dc13a58fcfee457af584f0e88e9041b6e01bb7a Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Wed, 18 Jun 2025 13:49:16 +0200 Subject: [PATCH] Add emitter property for ase Atoms When creating a cluster, the attribute "emitter" is a proxy to the attribute "absorber". It provides a consitent name for the emitter which was previously called "absorber" in the cluster object and "emitter" in hemispherical_cluster function and more generally by experimenters --- src/msspec/__init__.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/msspec/__init__.py b/src/msspec/__init__.py index 5fa3547..3eb418e 100644 --- a/src/msspec/__init__.py +++ b/src/msspec/__init__.py @@ -17,8 +17,8 @@ # along with this msspec. If not, see . # # Source file : src/msspec/__init__.py -# Last modified: Mon, 27 Sep 2021 17:49:48 +0200 -# Committed by : sylvain tricot +# Last modified: Wed, 18 Jun 2025 13:49:16 +0200 +# Committed by : Sylvain Tricot import ase @@ -38,5 +38,6 @@ def init_msspec(): ase.atom.names['RA_cut_off'] = ('RA_cuts_off', 1) ase.atom.names['atom_type'] = ('atom_types', None) ase.atoms.Atoms.absorber = None + ase.atoms.Atoms.emitter = property(lambda self: self.absorber, lambda self,i: setattr(self, "absorber", i)) init_msspec()