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[WIP] Electron config class #23

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misc changes (don't remember).
lemmatum committed May 11, 2018
commit 5615029e9450a19cc529ab8f1e839161f61f20ae
18 changes: 17 additions & 1 deletion SpectroscoPy/atomic/electronConfiguration.py
Original file line number Diff line number Diff line change
@@ -16,11 +16,12 @@
- __bool__ behavior for configurations, terms, energies, etc
-include L-S coupling
-include functions/methods without L-S coupling assumption
-include jj coupling scheme methods
-use subshellConfiguration() in electronConfiguration()
-use electronConfiguration() and termSymbol() for energyLevel()
-use 2 energyLevel() objects for transition() object
-Create system for managing/saving/converting list of transition() objs
-add tests for allowed/forbidden transitions
-add "selection rules" tests for allowed/forbidden transitions

@author: Pawel M. Kozlowski
"""
@@ -389,6 +390,21 @@ def empty():
particle.
"""
return ElectronConfiguration([])
def unpaired(self):
"""
Returns the number of unpaired electrons.
"""
def multiplicity(self):
"""
Spin multiplicity, calculated based on the number of unpaired
electrons.
"""
def multiplet(self):
"""
Returns whether the configuration is in a singlet, doublet, triplet,
etc. state based on the multiplicty and limitations on the number
of spin orientations, when S <= L.
"""