in reply to Conditional connectivety

I may be reading it wrong, but do "clusters" form and dissolve as they please as time goes?

So fare I have made a very poor script that determines the molecule relations that pass these conditions and prints all of the relations to a single txt file with the notation:

1_3 1_5 5_7 9_23

1_3 1_5 5_7 9_23 14_23

1_3 1_5 5_7 9_23 14_23 17_20

.

.

each line represents the subsequent timestep.

So you mine for clusters per timestep in your 992*2 (?) files, and then you splat this info back into single line per timestep? Why? Then

Like 1_3 1_5 5_7 9_23 14_23 17_20, molecule 1, 3, 5 and 7 is a single cluster, molecule 9, 14 and 23 is another cluster and molecule 17 and 20 is another cluster.

may be true, or as easily not true

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Re^2: Conditional connectivety
by Morten_S (Initiate) on Nov 15, 2017 at 13:56 UTC

    Hi, tahnks for the reply.

    At the moment I have calculated the distance between molecules and the angle. This information is stored in 992*2 files. The reason is more related to the way I calculated the data, but I could easily store this in a matrix in a single file too. However my challenge is to translate the analysed data 1_3 1_5 5_7 9_23 14_23 17_20 into number of clusters and cluster sizes at each timestep. I dont care if this is stored in a single file, but it is the two parameters that informs me if a simulations is successful.

    yep, clusters may be formed and dissolved over time.

    Hope this helps abit I know it is difficult when I have no initial code :)

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