printing for projections and append!

louisponet · Oct 30, 2019 · 2cbafda · 2cbafda
1 parent 77d90e9
commit 2cbafda
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Showing 2 changed files with 5 additions and 1 deletion.
diff --git a/src/atom.jl b/src/atom.jl
@@ -150,8 +150,10 @@ function setpseudo!(at::AbstractAtom, pseudo::Pseudo; print=true)
 	atom(at).pseudo = pseudo
 end
 
-setprojections!(at::AbstractAtom, projections::Vector{Projection}) =
+function setprojections!(at::AbstractAtom, projections::Vector{Projection}; print=true)
+    print && @info "Setting projections for atom $(name(at)) to $projections"
     atom(at).projections = projections
+end
 
 bondlength(at1::AbstractAtom{T}, at2::AbstractAtom{T}, R=T(0.0)) where T<:AbstractFloat = norm(position_cart(at1) - position_cart(at2) - R)
 

diff --git a/src/jobAPI.jl b/src/jobAPI.jl
@@ -132,6 +132,8 @@ Base.insert!(job::DFJob, index::Int, input::DFInput) = insert!(job.inputs, index
 Base.push!(job::DFJob, input::DFInput) = push!(job.inputs, input)
 Base.pop!(job::DFJob) = pop!(job.inputs)
 
+Base.append!(job::DFJob, args...) = append!(job.inputs, args...)
+
 """Access an input inside the job using it's name. E.g `job["scf"]`"""
 function Base.getindex(job::DFJob, id::String)
     tmp = getfirst(x -> name(x)==id, inputs(job))