AChemKit.randomnet.Uniform — AChemKit v0.1 documentation

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# AChemKit.randomnet.Uniform

static `randomnet.` `Uniform`(nmols, nreactions, nreactants, nproducts, rates=1.0, cls=<class 'AChemKit.reactionnet.ReactionNetwork'>, rng=None)

  Generates a random `reactionnet.ReactionNetwork` by assigning reaction randomly between all molecular species.

  Arguments:

  nmols
    Number of molecules in the reaction network. Can be a single value or a tuple/list which will be uniformly sampled from (duplicates can be used to give a non-uniform distribution).

  Note

  `reactionnet.ReactionNetwork` tracks molecules by their reactions, so if a molecule is not part of any reaction it will not appear at all e.g. in `seen()`. This could lead to differences from nmols.

  nreactions
    Number of reaction in the reaction network. Can be a single value or a tuple/list which will be uniformly sampled from (duplicates can be used to give a non-uniform distribution).

  Note

  The value of nreactions is the number of times a reaction will be added to the `reactionnet.ReactionNetwork`. If it is already in the `reactionnet.ReactionNetwork`, it will be replaced. This can lead to `reactionnet.ReactionNetwork` with less than nreactions reactions.

  nreactants

    Number of reactants for each reaction in the reaction network. Can be a single value or a tuple/list which will be uniformly sampled from (duplicates can be used to give a non-uniform distribution).

    Note

    If this is a tuple/list it will be sampled for each reaction.

  nproducts

    Number of products for each reaction in the reaction network. Can be a single value or a tuple/list which will be uniformly sampled from (duplicates can be used to give a non-uniform distribution).

    If this is None, then nreactants must be a tuple of (nreactants, nproducts) or a list of tuples.

    Note

    If this is a tuple/list it will be sampled for each reaction.

  rates

    Rate of each reaction in the reaction network. Can be a single value or a tuple/list which will be uniformly sampled from (duplicates can be used to give a non-uniform distribution).

    Note

    If this is a tuple/list it will be sampled for each reaction.

  cls
    Alternative class to use for constructing the return rather than `reactionnet.ReactionNetwork`.
  rng
    Random number generator to use. If not specifed, one will be generated at random.

  These arguments can be a single value or a tuple/list which will be uniformly sampled from.

  For example:

  `Uniform(5,3,2,1)` will generate 5 molecules with 3 reactions between them where each reaction has two reactants and one product.

  `Uniform(5,3,(1,2), (1,2))` will generate 5 molecules with 3 reactions between them where each reaction has one or two reactants and one or two products.

  `Uniform(5,3,((2,1),(1,2)), None)` will generate 5 molecules with 3 reactions between them where each reaction has either two reactants and one product or one reactant and two products.

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