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2 parents 99a47e2 + 425ee27 commit ffc5a6aCopy full SHA for ffc5a6a
src/diffusion/dimer.jl
@@ -1,7 +1,19 @@
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# Tools for analyzing dimers
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#get molecules that are in linked states
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+"""
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+ get_dimers(states::MoleculeHistory)
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+
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+create a array of vector of type MoleculeFrame that takes the frames in a the input states and pass it to the MoleculeHistory function
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+# Arguments
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+ - states::MoleculeHistory : the estates of the molecule
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+# Returns
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+ - MoleculeHistory(states.dt, dimer_frames) : return the function MoleculeHistory
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function get_dimers(states::MoleculeHistory)
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dimer_frames = Vector{MoleculeFrame}()
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for frame in states.frames
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