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Flux diagram for chosen species #80

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nickvandewiele
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At the risk of self-promotion, i hereby recommend you this branch:

Instead of creating a global flux diagram with all the important species, this branch gives the option to create a flux diagram centralized around a user chosen species. What it does is:

  • prints all the species that are in reactions with the chosen species
  • still draws the circles around major species concentrations, and flux-dependent edge widths

Solved merge conflicts due to recently changed method signature updates (Connie's settings parameter)

added a line declaring globally used variables to avoid interpretation as local variables when settings object is not set.

Tested successfully with and without setting a chosen species, but no unit test added...

Nick Vandewiele added 2 commits June 13, 2012 10:00
Flux diagrams can now be created that focus on a chosen species.
This is done by adding optional parameter centralSpecies to
-generateFluxDiagram
-createFluxDiagram

The parameter contains the name of the species mentioned in the chemkin
file.

If the parameter is passed to the method, then:
-the index of this particular species in speciesList is sought
-the "nodes" object is populated with the other reactants / products
in which the central species is mentioned
-creation of the edges object remains the same

The rest remains the same.
…Species

Also, added declaration of global variables in methods for the global
variables like maximumNodeCount to avoid interpreting them as local
variables.
@connie connie merged commit 7e65555 into ReactionMechanismGenerator:master Jun 13, 2012
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2 participants