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Update pathsim-chem package config and enable examples
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Lines changed: 33 additions & 8 deletions

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scripts/lib/config.py

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"griffe_package": "pathsim_chem",
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"root_modules": [
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"pathsim_chem",
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"pathsim_chem.thermodynamics",
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"pathsim_chem.tritium",
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],
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},

src/lib/config/packages.ts

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id: 'chem',
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name: 'PathSim-Chem',
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shortName: 'chem',
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description: 'Chemical engineering blocks for PathSim, including reactors, heat exchangers, and separation units.',
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description: 'Chemical engineering blocks for PathSim — IK-CAPE thermodynamic property correlations, activity coefficients, equations of state, and tritium processing.',
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logo: 'pathsim_chem_logo.png',
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docs: 'chem',
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api: 'chem/api',
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examples: null,
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examples: 'chem/examples',
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pypi: `${external.pypi}/pathsim-chem`,
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conda: null,
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github: `${external.github}/pathsim-chem`,
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features: [],
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features: [
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{ title: 'IK-CAPE Standard', description: '50+ blocks implementing DECHEMA thermodynamic equations' },
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{ title: 'Property Correlations', description: 'Antoine, Wagner, DIPPR, and 13 more temperature correlations' },
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{ title: 'Activity Coefficients', description: 'NRTL, Wilson, UNIQUAC, and Flory-Huggins models' },
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{ title: 'Equations of State', description: 'Peng-Robinson and Soave-Redlich-Kwong cubic EoS' },
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{ title: 'Fugacity & Enthalpy', description: 'Fugacity coefficients, excess enthalpy, departure functions' },
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{ title: 'Tritium Processing', description: 'GLC columns, TCAP cascades, bubblers, and splitters' }
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],
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installation: [
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{ name: 'pip', command: 'pip install pathsim-chem' }
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],
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quickstart: null,
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quickstart: {
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description: 'PathSim-Chem blocks follow the standard PathSim interface. Set inputs, call update, read outputs.',
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code: `from pathsim_chem.thermodynamics import Antoine
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# Antoine vapor pressure correlation for water
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antoine = Antoine(a0=23.2256, a1=3835.18, a2=-45.343)
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# Evaluate at 100 °C (373.15 K)
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antoine.inputs[0] = 373.15
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antoine.update(None)
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P_sat = antoine.outputs[0] # ≈ 101325 Pa`,
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title: 'Example'
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},
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apiModules: [
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{ name: 'pathsim_chem.reactors', description: 'CSTR, PFR, batch reactor blocks' },
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{ name: 'pathsim_chem.heat', description: 'Heat exchangers, heaters, coolers' },
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{ name: 'pathsim_chem.separation', description: 'Distillation, absorption columns' },
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{ name: 'pathsim_chem.thermo', description: 'Thermodynamic property calculations' }
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{ name: 'pathsim_chem.thermodynamics.correlations', description: '16 pure component property correlations' },
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{ name: 'pathsim_chem.thermodynamics.averages', description: '10 mixing rules for calculation of averages' },
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{ name: 'pathsim_chem.thermodynamics.activity_coefficients', description: 'NRTL, Wilson, UNIQUAC, Flory-Huggins' },
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{ name: 'pathsim_chem.thermodynamics.equations_of_state', description: 'Peng-Robinson, Soave-Redlich-Kwong' },
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{ name: 'pathsim_chem.thermodynamics.corrections', description: 'Poynting correction, Henry\'s law' },
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{ name: 'pathsim_chem.thermodynamics.fugacity_coefficients', description: 'RKS, PR, and virial fugacity coefficients' },
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{ name: 'pathsim_chem.thermodynamics.enthalpy', description: 'Excess enthalpy and enthalpy departure' },
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{ name: 'pathsim_chem.thermodynamics.reactions', description: 'Equilibrium constants, rate constants, power-law rates' },
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{ name: 'pathsim_chem.tritium', description: 'GLC, TCAP, bubbler, splitter blocks' }
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]
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},
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vehicle: {

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