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Add validation checks to class constructors #165

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K20shores opened this issue Jul 31, 2023 · 1 comment · Fixed by #318
Closed
3 tasks done

Add validation checks to class constructors #165

K20shores opened this issue Jul 31, 2023 · 1 comment · Fixed by #318
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enhancement New feature or request help wanted Extra attention is needed

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@K20shores
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K20shores commented Jul 31, 2023

  • Rate constants
  • Rosenbrock solver
  • Process

alternatively, add a function that checks if the Rosenbrock solver is configured with enough information to run. For example, that each rate constant has a valid pointer

@K20shores K20shores added enhancement New feature or request Needs more info help wanted Extra attention is needed and removed Needs more info labels Aug 28, 2023
@K20shores
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This doesn't fail:

  Process r4 = Process::create()
                   .reactants({ c, c })
                   .products({ yields(e, 1) })
                   .rate_constant(SurfaceRateConstant({ .label_ = "c", .species_ = c, .reaction_probability_ = 0.90 }))
                   .phase(gas_phase);

it should because the surface rate constant can only react away 1 mole

@mattldawson mattldawson added this to the Gas-phase MICM milestone Oct 11, 2023
@K20shores K20shores linked a pull request Oct 18, 2023 that will close this issue
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