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Fix a stackoverflow in CSF constructors #100

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Fix a stackoverflow in CSF constructors #100

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7d02b17
Add test
mortenpi May 17, 2021
48aa2c7
Fix a stack overflow in CSF constructors
mortenpi May 17, 2021
18199ce
Add PR reference
mortenpi May 17, 2021
88a6644
Fix test, get unique classification
mortenpi May 17, 2021
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4 changes: 2 additions & 2 deletions src/csfs.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,7 @@ struct CSF{O<:AbstractOrbital, T<:Union{Term,HalfInteger}, S}
function CSF(config::Configuration{O},
subshell_terms::Vector{IntermediateTerm{T,S}},
terms::Vector{T}) where {O<:Union{<:Orbital,<:RelativisticOrbital},
T<:Union{Term,HalfInt}, S}
T<:Union{Term,HalfInteger}, S}
length(subshell_terms) == length(peel(config)) ||
throw(ArgumentError("Need to provide $(length(peel(config))) subshell terms for $(config)"))
length(terms) == length(peel(config)) ||
Expand All @@ -53,7 +53,7 @@ struct CSF{O<:AbstractOrbital, T<:Union{Term,HalfInteger}, S}
end

CSF(config, subshell_terms::Vector{<:IntermediateTerm}, terms::Vector{<:Real}) =
CSF(config, subshell_terms, convert.(HalfInt, terms))
CSF(config, subshell_terms, convert.(HalfInteger, terms))
end

"""
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7 changes: 7 additions & 0 deletions test/csfs.jl
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Expand Up @@ -32,6 +32,13 @@ using .ATSPParser
@test num_electrons(csf) == 4

@test CSF(c"1s2 2p", [IntermediateTerm(T"1S",Seniority(0)), IntermediateTerm(T"2Po", Seniority(1))], [T"1S", T"2Po"]) isa NonRelativisticCSF

# Test for a potential stackoverflow in CSF constructors (see #100).
@test CSF(
rc"1s 2s 2p2",
[IntermediateTerm(HalfUInt(j), Seniority(2j)) for j in [1//2, 1//2, 0]],
HalfUInt[1//2, 0, 0]
) isa CSF
end

@testset "CSF list generation" begin
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