Luthaf / Jumos.jl

Julia toolbox for molecular simulations
http://jumos.readthedocs.org/en/latest/
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Interaction with topologies: add selections #15

Open Luthaf opened 9 years ago

Luthaf commented 9 years ago

VMD style selections name He and x > 3 are very nice, and should be added to the Topology. Something like

macro s_str
    # Lot of magic here
end

top = Topology(...)

select = get_atoms(top, s"name He and x>3")
# Here select should be some kind of Vector{Bool}