mozithermodb-settings 1.0.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +201 -0
- package/README.md +174 -0
- package/dist/index.browser.mjs +246 -0
- package/dist/index.browser.mjs.map +1 -0
- package/dist/index.cjs +264 -0
- package/dist/index.cjs.map +1 -0
- package/dist/index.d.ts +148 -0
- package/dist/index.mjs +246 -0
- package/dist/index.mjs.map +1 -0
- package/package.json +65 -0
package/LICENSE
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package/README.md
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# MoziThermoDB-Settings
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[](https://badge.fury.io/js/mozithermodb-settings)
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[](https://www.npmjs.com/package/mozithermodb-settings)
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[](https://opensource.org/licenses/Apache-2.0)
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Shared TypeScript schemas, types, and utility functions for thermodynamic components and mixture identifiers in the Mozi ecosystem.
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## Features
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- Zod schemas for temperature, pressure, volume, and custom properties
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- Zod schemas and inferred types for thermodynamic components
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- Consistent component identifier helpers
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- Deterministic binary and multi-component mixture ID creation
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- Component state setters with in-place mutation parity for interop scenarios
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- ESM, CJS, browser, and `.d.ts` outputs
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## Installation
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```bash
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npm install mozithermodb-settings
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```
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## Quick Start
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```ts
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import {
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ComponentSchema,
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TemperatureSchema,
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create_component_id,
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create_mixture_id,
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set_component_state,
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} from "mozithermodb-settings";
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const water = ComponentSchema.parse({
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name: " Water ",
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formula: " H2O ",
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state: "l",
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});
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const temperature = TemperatureSchema.parse({
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value: 298.15,
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unit: "K",
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source: "lab", // passthrough extra property
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});
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const identity = create_component_id(water);
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// { name_state: "Water-l", formula_state: "H2O-l", name_formula: "Water-H2O" }
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const mixture = create_mixture_id(
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[
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water,
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{ name: "Ethanol", formula: "C2H5OH", state: "l" },
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{ name: "Methanol", formula: "CH3OH", state: "l" },
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],
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"Name",
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);
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// "Ethanol|Methanol|Water"
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set_component_state(water, "g"); // mutates same object reference
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```
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## API
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### Condition Schemas
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- `TemperatureSchema`
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- `PressureSchema`
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- `VolumeSchema`
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- `CustomPropSchema`
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All condition schemas are `z.looseObject(...)`, so unknown keys are preserved.
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### Component Schemas and Types
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- `ComponentStateSchema`: `"g" | "l" | "s" | "aq"`
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- `ComponentKeySchema`:
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- `"Name-State"`
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- `"Formula-State"`
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- `"Name-Formula"`
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- `"Name"`
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- `"Formula"`
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- `"Name-Formula-State"`
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- `"Formula-Name-State"`
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- `MixtureKeySchema`: same as `ComponentKeySchema`
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- `BinaryMixtureKeySchema`: `"Name" | "Formula"`
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- `ComponentSchema`:
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- `name: string`
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- `formula: string`
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- `state: ComponentState`
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- `mole_fraction: number` (default: `1`)
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- `ComponentIdentitySchema`:
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- `name_state: string`
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- `formula_state: string`
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- `name_formula: string`
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Inferred TypeScript exports:
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- `Temperature`, `Pressure`, `Volume`, `CustomProp`
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- `ComponentState`, `ComponentKey`, `MixtureKey`, `BinaryMixtureKey`
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- `Component`, `ComponentInput`, `ComponentIdentity`
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### Utility Functions
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- `create_component_id(component, separator_symbol?)`
|
|
106
|
+
- Returns `{ name_state, formula_state, name_formula }`
|
|
107
|
+
- Trims fields and normalizes `state` to lowercase in state-based identifiers
|
|
108
|
+
|
|
109
|
+
- `set_component_id(component, component_key, separator_symbol?, case_value?)`
|
|
110
|
+
- Returns a string identifier for a selected key format
|
|
111
|
+
- `case_value` is `"lower" | "upper" | null`
|
|
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|
+
|
|
113
|
+
- `create_binary_mixture_id(component_1, component_2, mixture_key?, delimiter?)`
|
|
114
|
+
- Supports `mixture_key`: `"Name"` or `"Formula"`
|
|
115
|
+
- Sorts component IDs before joining, so ordering is deterministic
|
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|
+
|
|
117
|
+
- `create_mixture_id(components, mixture_key?, delimiter?, case_value?)`
|
|
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|
+
- Supports all `MixtureKeySchema` key styles
|
|
119
|
+
- Sorts component IDs before joining
|
|
120
|
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- Throws if `components` is empty
|
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+
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122
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+
- `set_component_state(component, state)`
|
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|
+
- Validates and mutates the original input object reference
|
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+
|
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|
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- `set_components_state(components, state)`
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- Applies `set_component_state` to each item
|
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|
+
|
|
128
|
+
### Errors
|
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The package exports `ERRORS` from `src/core/errors.ts` for consistent error messages around:
|
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- invalid component key
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- invalid case value
|
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134
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+
- invalid mixture key
|
|
135
|
+
- empty component list
|
|
136
|
+
- delimiter type mismatch
|
|
137
|
+
|
|
138
|
+
## Deterministic ID Behavior
|
|
139
|
+
|
|
140
|
+
Mixture ID helpers always sort generated component identifiers before joining with a delimiter:
|
|
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|
+
|
|
142
|
+
- Binary: `[id1, id2].sort().join(delimiter)`
|
|
143
|
+
- Multi-component: `ids.sort().join(delimiter)`
|
|
144
|
+
|
|
145
|
+
This guarantees stable IDs independent of input order.
|
|
146
|
+
|
|
147
|
+
## Build and Test
|
|
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|
+
|
|
149
|
+
```bash
|
|
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|
+
npm run build
|
|
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|
+
npm run typecheck
|
|
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|
+
npm run lint
|
|
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|
+
npm test
|
|
154
|
+
```
|
|
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|
+
|
|
156
|
+
Package outputs:
|
|
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|
+
|
|
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|
+
- `dist/index.mjs` (ESM)
|
|
159
|
+
- `dist/index.cjs` (CommonJS)
|
|
160
|
+
- `dist/index.browser.mjs` (browser ESM)
|
|
161
|
+
- `dist/index.d.ts` (types)
|
|
162
|
+
|
|
163
|
+
## Example Script
|
|
164
|
+
|
|
165
|
+
See `examples/exp-1.ts` for a complete end-to-end usage sample covering:
|
|
166
|
+
|
|
167
|
+
- schema parsing
|
|
168
|
+
- component defaults
|
|
169
|
+
- component and mixture IDs
|
|
170
|
+
- state updates
|
|
171
|
+
|
|
172
|
+
## License
|
|
173
|
+
|
|
174
|
+
Apache-2.0
|
|
@@ -0,0 +1,246 @@
|
|
|
1
|
+
import { z } from 'zod';
|
|
2
|
+
|
|
3
|
+
const ComponentStateSchema = z.enum(["g", "l", "s", "aq"]);
|
|
4
|
+
const ComponentKeySchema = z.enum([
|
|
5
|
+
"Name-State",
|
|
6
|
+
"Formula-State",
|
|
7
|
+
"Name-Formula",
|
|
8
|
+
"Name",
|
|
9
|
+
"Formula",
|
|
10
|
+
"Name-Formula-State",
|
|
11
|
+
"Formula-Name-State",
|
|
12
|
+
]);
|
|
13
|
+
const MixtureKeySchema = ComponentKeySchema;
|
|
14
|
+
const BinaryMixtureKeySchema = z.enum(["Name", "Formula"]);
|
|
15
|
+
// NOTE: Component Schema
|
|
16
|
+
const ComponentSchema = z.looseObject({
|
|
17
|
+
name: z.string(),
|
|
18
|
+
formula: z.string(),
|
|
19
|
+
state: ComponentStateSchema,
|
|
20
|
+
mole_fraction: z.number().default(1),
|
|
21
|
+
});
|
|
22
|
+
// NOTE: Component Identity Schema
|
|
23
|
+
const ComponentIdentitySchema = z.object({
|
|
24
|
+
name_state: z.string(),
|
|
25
|
+
formula_state: z.string(),
|
|
26
|
+
name_formula: z.string(),
|
|
27
|
+
});
|
|
28
|
+
|
|
29
|
+
// SECTION: Schemas
|
|
30
|
+
const TemperatureSchema = z.looseObject({
|
|
31
|
+
value: z.number(),
|
|
32
|
+
unit: z.string(),
|
|
33
|
+
});
|
|
34
|
+
const PressureSchema = z.looseObject({
|
|
35
|
+
value: z.number(),
|
|
36
|
+
unit: z.string(),
|
|
37
|
+
});
|
|
38
|
+
const VolumeSchema = z.looseObject({
|
|
39
|
+
value: z.number(),
|
|
40
|
+
unit: z.string(),
|
|
41
|
+
});
|
|
42
|
+
const CustomPropSchema = z.looseObject({
|
|
43
|
+
value: z.union([z.number(), z.int()]),
|
|
44
|
+
unit: z.string(),
|
|
45
|
+
});
|
|
46
|
+
|
|
47
|
+
const ERRORS = {
|
|
48
|
+
invalid_component_key: (component_key) => `Invalid component_key '${component_key}'. Must be one of the supported keys.`,
|
|
49
|
+
invalid_case: (value) => `Invalid case '${value}'. Must be 'lower', 'upper', or null.`,
|
|
50
|
+
invalid_mixture_key: (mixture_key) => `component_key must be one of the following: Name, Formula, Name-State, Formula-State, Name-Formula, Name-Formula-State, Formula-Name-State`,
|
|
51
|
+
empty_components: "components list cannot be empty",
|
|
52
|
+
delimiter_type: "delimiter must be a string",
|
|
53
|
+
};
|
|
54
|
+
|
|
55
|
+
const CaseTransformSchema = z.union([
|
|
56
|
+
z.literal("lower"),
|
|
57
|
+
z.literal("upper"),
|
|
58
|
+
z.null(),
|
|
59
|
+
]);
|
|
60
|
+
/**
|
|
61
|
+
* Creates a component identity object with multiple identifier formats.
|
|
62
|
+
* Combines component name, formula, and state in different arrangements.
|
|
63
|
+
* @param component - The component to create an identity for
|
|
64
|
+
* @param separator_symbol - The separator to use between components (default: "-")
|
|
65
|
+
* @returns ComponentIdentity object with name_state, formula_state, and name_formula identifiers
|
|
66
|
+
*/
|
|
67
|
+
function create_component_id(component, separator_symbol = "-") {
|
|
68
|
+
const parsed_component = ComponentSchema.parse(component);
|
|
69
|
+
const separator = separator_symbol.trim();
|
|
70
|
+
const component_name = parsed_component.name.trim();
|
|
71
|
+
const component_formula = parsed_component.formula.trim();
|
|
72
|
+
const component_state = parsed_component.state.trim().toLowerCase();
|
|
73
|
+
return ComponentIdentitySchema.parse({
|
|
74
|
+
name_state: `${component_name}${separator}${component_state}`,
|
|
75
|
+
formula_state: `${component_formula}${separator}${component_state}`,
|
|
76
|
+
name_formula: `${component_name}${separator}${component_formula}`,
|
|
77
|
+
});
|
|
78
|
+
}
|
|
79
|
+
/**
|
|
80
|
+
* Generates a component identifier string based on the specified key and formatting options.
|
|
81
|
+
* Supports multiple identifier formats and case transformations.
|
|
82
|
+
* @param component - The component to generate an identifier for
|
|
83
|
+
* @param component_key - The key format to use (e.g., "Name-State", "Formula-State", "Name", "Formula")
|
|
84
|
+
* @param separator_symbol - The separator to use between components (default: "-")
|
|
85
|
+
* @param case_value - Case transformation to apply: 'lower', 'upper', or null for no change (default: null)
|
|
86
|
+
* @returns A formatted component identifier string
|
|
87
|
+
* @throws Error if component_key is invalid or case_value is invalid
|
|
88
|
+
*/
|
|
89
|
+
function set_component_id(component, component_key, separator_symbol = "-", case_value = null) {
|
|
90
|
+
const parsed_component = ComponentSchema.parse(component);
|
|
91
|
+
const key = ComponentKeySchema.safeParse(component_key);
|
|
92
|
+
if (!key.success) {
|
|
93
|
+
throw new Error(ERRORS.invalid_component_key(String(component_key)));
|
|
94
|
+
}
|
|
95
|
+
const parsed_case = CaseTransformSchema.safeParse(case_value);
|
|
96
|
+
if (!parsed_case.success) {
|
|
97
|
+
throw new Error(ERRORS.invalid_case(String(case_value)));
|
|
98
|
+
}
|
|
99
|
+
const separator = separator_symbol.trim();
|
|
100
|
+
const component_idx = create_component_id(parsed_component, separator);
|
|
101
|
+
let component_id;
|
|
102
|
+
switch (key.data) {
|
|
103
|
+
case "Name-State":
|
|
104
|
+
component_id = component_idx.name_state.trim();
|
|
105
|
+
break;
|
|
106
|
+
case "Formula-State":
|
|
107
|
+
component_id = component_idx.formula_state.trim();
|
|
108
|
+
break;
|
|
109
|
+
case "Name-Formula":
|
|
110
|
+
component_id = component_idx.name_formula.trim();
|
|
111
|
+
break;
|
|
112
|
+
case "Name":
|
|
113
|
+
component_id = parsed_component.name.trim();
|
|
114
|
+
break;
|
|
115
|
+
case "Formula":
|
|
116
|
+
component_id = parsed_component.formula.trim();
|
|
117
|
+
break;
|
|
118
|
+
case "Name-Formula-State":
|
|
119
|
+
component_id = `${parsed_component.name.trim()}${separator}${parsed_component.formula.trim()}${separator}${parsed_component.state.trim().toLowerCase()}`;
|
|
120
|
+
break;
|
|
121
|
+
case "Formula-Name-State":
|
|
122
|
+
component_id = `${parsed_component.formula.trim()}${separator}${parsed_component.name.trim()}${separator}${parsed_component.state.trim().toLowerCase()}`;
|
|
123
|
+
break;
|
|
124
|
+
default:
|
|
125
|
+
throw new Error(ERRORS.invalid_component_key(String(component_key)));
|
|
126
|
+
}
|
|
127
|
+
if (parsed_case.data === "lower") {
|
|
128
|
+
return component_id.toLowerCase();
|
|
129
|
+
}
|
|
130
|
+
if (parsed_case.data === "upper") {
|
|
131
|
+
return component_id.toUpperCase();
|
|
132
|
+
}
|
|
133
|
+
return component_id;
|
|
134
|
+
}
|
|
135
|
+
/**
|
|
136
|
+
* Creates a mixture identifier for two components.
|
|
137
|
+
* Components are sorted alphabetically before joining with the delimiter.
|
|
138
|
+
* @param component_1 - The first component in the mixture
|
|
139
|
+
* @param component_2 - The second component in the mixture
|
|
140
|
+
* @param mixture_key - The key to use for identification: "Name" or "Formula" (default: "Name")
|
|
141
|
+
* @param delimiter - The delimiter to use between components (default: "|")
|
|
142
|
+
* @returns A sorted, delimited mixture identifier string
|
|
143
|
+
* @throws TypeError if delimiter is not a string
|
|
144
|
+
* @throws Error if mixture_key is invalid
|
|
145
|
+
*/
|
|
146
|
+
function create_binary_mixture_id(component_1, component_2, mixture_key = "Name", delimiter = "|") {
|
|
147
|
+
const comp1 = ComponentSchema.parse(component_1);
|
|
148
|
+
const comp2 = ComponentSchema.parse(component_2);
|
|
149
|
+
if (typeof delimiter !== "string") {
|
|
150
|
+
throw new TypeError(ERRORS.delimiter_type);
|
|
151
|
+
}
|
|
152
|
+
const parsed_delimiter = delimiter.trim();
|
|
153
|
+
const key = BinaryMixtureKeySchema.safeParse(mixture_key);
|
|
154
|
+
if (!key.success) {
|
|
155
|
+
throw new Error("component_key must be either 'Name' or 'Formula'");
|
|
156
|
+
}
|
|
157
|
+
const comp1_id = key.data === "Name" ? comp1.name.trim() : comp1.formula.trim();
|
|
158
|
+
const comp2_id = key.data === "Name" ? comp2.name.trim() : comp2.formula.trim();
|
|
159
|
+
return [comp1_id, comp2_id].sort().join(parsed_delimiter).trim();
|
|
160
|
+
}
|
|
161
|
+
/**
|
|
162
|
+
* Creates a mixture identifier for multiple components.
|
|
163
|
+
* Combines component identifiers based on the specified key, sorts them, and joins with delimiter.
|
|
164
|
+
* @param components - Array of components in the mixture
|
|
165
|
+
* @param mixture_key - The key format to use (e.g., "Name", "Formula", "Name-State", "Formula-State")
|
|
166
|
+
* @param delimiter - The delimiter to use between components (default: "|")
|
|
167
|
+
* @param case_value - Case transformation to apply: 'lower', 'upper', or null for no change (default: null)
|
|
168
|
+
* @returns A sorted, delimited mixture identifier string
|
|
169
|
+
* @throws Error if components array is empty or mixture_key is invalid
|
|
170
|
+
* @throws TypeError if delimiter is not a string
|
|
171
|
+
*/
|
|
172
|
+
function create_mixture_id(components, mixture_key = "Name", delimiter = "|", case_value = null) {
|
|
173
|
+
const parsed_components = z.array(ComponentSchema).parse(components);
|
|
174
|
+
if (parsed_components.length === 0) {
|
|
175
|
+
throw new Error(ERRORS.empty_components);
|
|
176
|
+
}
|
|
177
|
+
if (typeof delimiter !== "string") {
|
|
178
|
+
throw new TypeError(ERRORS.delimiter_type);
|
|
179
|
+
}
|
|
180
|
+
const parsed_delimiter = delimiter.trim();
|
|
181
|
+
const key = MixtureKeySchema.safeParse(mixture_key);
|
|
182
|
+
if (!key.success) {
|
|
183
|
+
throw new Error(ERRORS.invalid_mixture_key(String(mixture_key)));
|
|
184
|
+
}
|
|
185
|
+
const parsed_case = CaseTransformSchema.safeParse(case_value);
|
|
186
|
+
if (!parsed_case.success) {
|
|
187
|
+
throw new Error(ERRORS.invalid_case(String(case_value)));
|
|
188
|
+
}
|
|
189
|
+
const component_ids = parsed_components.map((comp) => {
|
|
190
|
+
switch (key.data) {
|
|
191
|
+
case "Name":
|
|
192
|
+
return comp.name.trim();
|
|
193
|
+
case "Formula":
|
|
194
|
+
return comp.formula.trim();
|
|
195
|
+
case "Name-State":
|
|
196
|
+
return `${comp.name.trim()}-${comp.state.trim()}`;
|
|
197
|
+
case "Formula-State":
|
|
198
|
+
return `${comp.formula.trim()}-${comp.state.trim()}`;
|
|
199
|
+
case "Name-Formula":
|
|
200
|
+
return `${comp.name.trim()}-${comp.formula.trim()}`;
|
|
201
|
+
case "Name-Formula-State":
|
|
202
|
+
return `${comp.name.trim()}-${comp.formula.trim()}-${comp.state.trim()}`;
|
|
203
|
+
case "Formula-Name-State":
|
|
204
|
+
return `${comp.formula.trim()}-${comp.name.trim()}-${comp.state.trim()}`;
|
|
205
|
+
default:
|
|
206
|
+
throw new Error(ERRORS.invalid_mixture_key(String(mixture_key)));
|
|
207
|
+
}
|
|
208
|
+
});
|
|
209
|
+
let mixture_id = component_ids.sort().join(parsed_delimiter).trim();
|
|
210
|
+
if (parsed_case.data === "lower") {
|
|
211
|
+
mixture_id = mixture_id.toLowerCase();
|
|
212
|
+
}
|
|
213
|
+
else if (parsed_case.data === "upper") {
|
|
214
|
+
mixture_id = mixture_id.toUpperCase();
|
|
215
|
+
}
|
|
216
|
+
return mixture_id;
|
|
217
|
+
}
|
|
218
|
+
/**
|
|
219
|
+
* Updates the state of a component while preserving all other properties.
|
|
220
|
+
* Mutates the original object reference to maintain Python parity.
|
|
221
|
+
* @param component - The component to update
|
|
222
|
+
* @param state - The new state to set (must be one of: 'g', 'l', 's', 'aq')
|
|
223
|
+
* @returns The modified component with updated state
|
|
224
|
+
* @throws Error if state is invalid
|
|
225
|
+
*/
|
|
226
|
+
function set_component_state(component, state) {
|
|
227
|
+
const parsed_component = ComponentSchema.parse(component);
|
|
228
|
+
ComponentStateSchema.parse(state);
|
|
229
|
+
// Preserve Python parity by mutating the same object reference.
|
|
230
|
+
return Object.assign(component, parsed_component, { state });
|
|
231
|
+
}
|
|
232
|
+
/**
|
|
233
|
+
* Updates the state of multiple components while preserving all other properties.
|
|
234
|
+
* Applies the same state to all components in the array.
|
|
235
|
+
* @param components - Array of components to update
|
|
236
|
+
* @param state - The new state to set (must be one of: 'g', 'l', 's', 'aq')
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* @returns Array of modified components with updated state
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+
* @throws Error if state is invalid
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+
*/
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+
function set_components_state(components, state) {
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+
ComponentStateSchema.parse(state);
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+
return components.map((component) => set_component_state(component, state));
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+
}
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+
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+
export { BinaryMixtureKeySchema, ComponentIdentitySchema, ComponentKeySchema, ComponentSchema, ComponentStateSchema, CustomPropSchema, ERRORS, MixtureKeySchema, PressureSchema, TemperatureSchema, VolumeSchema, create_binary_mixture_id, create_component_id, create_mixture_id, set_component_id, set_component_state, set_components_state };
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//# sourceMappingURL=index.browser.mjs.map
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@@ -0,0 +1 @@
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1
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