MoziThermoDB-Settings

Shared TypeScript schemas, types, and utility functions for thermodynamic components and mixture identifiers in the Mozi ecosystem.

Features

• Zod schemas for temperature, pressure, volume, and custom properties
• Zod schemas and inferred types for thermodynamic components
• Consistent component identifier helpers
• Deterministic binary and multi-component mixture ID creation
• Component state setters with in-place mutation parity for interop scenarios
• ESM, CJS, browser, and .d.ts outputs

Installation

npm install mozithermodb-settings

Quick Start

import {
  ComponentSchema,
  TemperatureSchema,
  create_component_id,
  create_mixture_id,
  set_component_state,
} from "mozithermodb-settings";

const water = ComponentSchema.parse({
  name: " Water ",
  formula: " H2O ",
  state: "l",
});

const temperature = TemperatureSchema.parse({
  value: 298.15,
  unit: "K",
  source: "lab", // passthrough extra property
});

const identity = create_component_id(water);
// { name_state: "Water-l", formula_state: "H2O-l", name_formula: "Water-H2O" }

const mixture = create_mixture_id(
  [
    water,
    { name: "Ethanol", formula: "C2H5OH", state: "l" },
    { name: "Methanol", formula: "CH3OH", state: "l" },
  ],
  "Name",
);
// "Ethanol|Methanol|Water"

set_component_state(water, "g"); // mutates same object reference

API

Condition Schemas

• TemperatureSchema
• PressureSchema
• VolumeSchema
• CustomPropSchema

All condition schemas are z.looseObject(...), so unknown keys are preserved.

Component Schemas and Types

• ComponentStateSchema: "g" | "l" | "s" | "aq"
• ComponentKeySchema:
  • "Name-State"
  • "Formula-State"
  • "Name-Formula"
  • "Name"
  • "Formula"
  • "Name-Formula-State"
  • "Formula-Name-State"
• MixtureKeySchema: same as ComponentKeySchema
• BinaryMixtureKeySchema: "Name" | "Formula"
• ComponentSchema:
  • name: string
  • formula: string
  • state: ComponentState
  • mole_fraction: number (default: 1)
• ComponentIdentitySchema:
  • name_state: string
  • formula_state: string
  • name_formula: string

Inferred TypeScript exports:

• Temperature, Pressure, Volume, CustomProp
• ComponentState, ComponentKey, MixtureKey, BinaryMixtureKey
• Component, ComponentInput, ComponentIdentity

Utility Functions

• create_component_id(component, separator_symbol?)

  • Returns { name_state, formula_state, name_formula }
  • Trims fields and normalizes state to lowercase in state-based identifiers

• set_component_id(component, component_key, separator_symbol?, case_value?)

  • Returns a string identifier for a selected key format
  • case_value is "lower" | "upper" | null

• create_binary_mixture_id(component_1, component_2, mixture_key?, delimiter?)

  • Supports mixture_key: "Name" or "Formula"
  • Sorts component IDs before joining, so ordering is deterministic

• create_mixture_id(components, mixture_key?, delimiter?, case_value?)

  • Supports all MixtureKeySchema key styles
  • Sorts component IDs before joining
  • Throws if components is empty

• set_component_state(component, state)

  • Validates and mutates the original input object reference

• set_components_state(components, state)

  • Applies set_component_state to each item

Errors

The package exports ERRORS from src/core/errors.ts for consistent error messages around:

• invalid component key
• invalid case value
• invalid mixture key
• empty component list
• delimiter type mismatch

Deterministic ID Behavior

Mixture ID helpers always sort generated component identifiers before joining with a delimiter:

• Binary: [id1, id2].sort().join(delimiter)
• Multi-component: ids.sort().join(delimiter)

This guarantees stable IDs independent of input order.

Build and Test

npm run build
npm run typecheck
npm run lint
npm test

Package outputs:

• dist/index.mjs (ESM)
• dist/index.cjs (CommonJS)
• dist/index.browser.mjs (browser ESM)
• dist/index.d.ts (types)

Example Script

See examples/exp-1.ts for a complete end-to-end usage sample covering:

• schema parsing
• component defaults
• component and mixture IDs
• state updates

License

Apache-2.0