matterviz 0.3.4 → 0.3.6

package/dist/phase-diagram/TdbInfoPanel.svelte

@@ -1,203 +0,0 @@
-<script lang="ts">
-  import type { TdbParseResult } from './parse'
-  import { extract_tdb_reference, summarize_models } from './utils'
-
-  interface Props {
-    result: TdbParseResult
-    system_name?: string
-    has_precomputed?: boolean
-    is_precomputed_loaded?: boolean
-    on_load_precomputed?: () => void
-    style?: string
-  }
-
-  let {
-    result,
-    system_name = ``,
-    has_precomputed = false,
-    is_precomputed_loaded = false,
-    on_load_precomputed,
-    style = ``,
-  }: Props = $props()
-
-  const reference = $derived(
-    result.data ? extract_tdb_reference(result.data.comments) : null,
-  )
-  const model_summary = $derived(
-    result.data ? summarize_models(result.data.phases) : null,
-  )
-</script>
-
-<div class="tdb-info-panel" {style}>
-  <h3 id="tdb-file-parsed">TDB File Parsed</h3>
-
-  {#if result.success && result.data}
-    {@const { phases, functions, parameters } = result.data}
-    {@const sys = system_name || result.binary_system?.join(`-`) || `Unknown`}
-    <dl class="info-grid">
-      <dt>System</dt>
-      <dd>{sys}</dd>
-      <dt>Phases</dt>
-      <dd class="phases">{#each phases as { name } (name)}<span>{name}</span>{/each}</dd>
-      {#if model_summary}<dt>Models</dt><dd>{model_summary}</dd>{/if}
-      <dt>Funcs / Params</dt>
-      <dd>{functions.length} / {parameters.length}</dd>
-      {#if result.temperature_range}
-        {@const [t_min, t_max] = result.temperature_range}
-        <dt>T Range</dt><dd>{t_min} – {t_max} K</dd>
-      {/if}
-      {#if reference}<dt>Ref</dt><dd class="ref" title={reference}>{reference}</dd>{/if}
-    </dl>
-
-    {#if has_precomputed}
-      <p class="notice success">
-        ✓ {#if is_precomputed_loaded}
-          <strong>Phase diagram loaded</strong> ({sys}.json)
-          <small>TDB contains model parameters. Boundaries computed offline via
-            <a href="https://pycalphad.org" target="_blank">pycalphad</a>.</small>
-        {:else}
-          Pre-computed diagram available!
-          {#if on_load_precomputed}
-            <button class="load-btn" onclick={on_load_precomputed}>Load</button>
-          {/if}
-        {/if}
-      </p>
-    {:else}
-      {@const elems = result.data.elements.map((e) => e.symbol).filter((s) =>
-      s !== `VA` && s !== `/-`
-    )}
-      {@const [el_a, el_b] = [elems[0] ?? `EL1`, elems[1] ?? `EL2`]}
-      {@const tdb = system_name || `your_system`}
-      <div class="notice warning">
-        <p>
-          ℹ No pre-computed diagram. Use <a href="https://pycalphad.org" target="_blank"
-          >pycalphad</a>:
-        </p>
-        <pre>
-<code>from pycalphad import Database, binplot
-import pycalphad.variables as v
-
-db = Database('{tdb}.tdb')
-binplot(db, ['{el_a}', '{el_b}', 'VA'], list(db.phases.keys()), {`{`}
-    v.X('{el_b}'): (0, 1, 0.01), v.T: (300, 2000, 10), v.P: 101325, v.N: 1
-})</code></pre>
-      </div>
-    {/if}
-  {:else}
-    <p class="error">⚠ Failed to parse TDB file: {result.error}</p>
-  {/if}
-</div>
-
-<style>
-  .tdb-info-panel {
-    --success-color: var(--tdb-success-color, #22c55e);
-    --success-hover: var(--tdb-success-hover, #16a34a);
-    --warning-color: var(--tdb-warning-color, #eab308);
-    --error-color: var(--tdb-error-color, #ef4444);
-    background: var(--surface-bg, rgba(255, 255, 255, 0.05));
-    border: 1px solid var(--border-color, #444);
-    border-radius: var(--border-radius, 8px);
-    padding: 8pt 9pt;
-    font-size: 10pt;
-  }
-  h3 {
-    margin: 0 0 5pt 0;
-    font-size: 11pt;
-    color: var(--text-color, #fff);
-    border-bottom: 1px solid var(--border-color, #444);
-    padding-bottom: 4pt;
-  }
-  .info-grid {
-    display: flex;
-    flex-wrap: wrap;
-    gap: 4pt 12pt;
-    margin: 0 0 6pt;
-    align-items: center;
-  }
-  dt {
-    color: var(--text-color-muted, #888);
-    font-weight: 500;
-    &::after {
-      content: ':';
-    }
-  }
-  dd {
-    margin: 0 12pt 0 4pt;
-    color: var(--text-color, #fff);
-
-    &.ref {
-      max-width: 200pt;
-      overflow: hidden;
-      text-overflow: ellipsis;
-    }
-  }
-  dd.phases {
-    display: flex;
-    flex-wrap: wrap;
-    gap: 2pt;
-
-    & > span {
-      background: var(--accent-color, #6366f1);
-      color: white;
-      padding: 0 5pt;
-      border-radius: 3px;
-      font-family: monospace;
-    }
-  }
-  .notice {
-    padding: 6pt;
-    border-radius: 6px;
-    margin: 12pt 0 0;
-
-    &.success {
-      background: rgba(from var(--success-color) r g b / 0.15);
-      border: 1px solid rgba(from var(--success-color) r g b / 0.3);
-    }
-    &.warning {
-      background: rgba(from var(--warning-color) r g b / 0.1);
-      border: 1px solid rgba(from var(--warning-color) r g b / 0.3);
-    }
-  }
-  .notice small {
-    display: block;
-    margin-top: 4pt;
-    font-size: 10pt;
-    color: var(--text-color-muted, #888);
-  }
-  .notice p {
-    margin: 0 0 6pt;
-  }
-  pre {
-    background: rgba(0, 0, 0, 0.3);
-    padding: 6pt;
-    border-radius: 4px;
-    overflow-x: auto;
-    margin: 6pt 0 0;
-  }
-  code {
-    font-family: 'Fira Code', 'Monaco', monospace;
-  }
-  .load-btn {
-    background: var(--success-color);
-    color: white;
-    border: none;
-    padding: 4pt 10pt;
-    border-radius: 4px;
-    cursor: pointer;
-    font-weight: 500;
-    margin-left: 8pt;
-  }
-  .load-btn:hover {
-    background: var(--success-hover);
-  }
-  .error {
-    color: var(--error-color);
-    background: rgba(from var(--error-color) r g b / 0.1);
-    padding: 9pt;
-    border-radius: 6px;
-    margin: 0;
-  }
-  a {
-    color: var(--accent-color, #6366f1);
-  }
-</style>

package/dist/phase-diagram/TdbInfoPanel.svelte.d.ts

@@ -1,12 +0,0 @@
-import type { TdbParseResult } from './parse';
-interface Props {
-    result: TdbParseResult;
-    system_name?: string;
-    has_precomputed?: boolean;
-    is_precomputed_loaded?: boolean;
-    on_load_precomputed?: () => void;
-    style?: string;
-}
-declare const TdbInfoPanel: import("svelte").Component<Props, {}, "">;
-type TdbInfoPanel = ReturnType<typeof TdbInfoPanel>;
-export default TdbInfoPanel;

package/dist/phase-diagram/build-diagram.d.ts

@@ -1,11 +0,0 @@
-import type { DiagramInput } from './diagram-input';
-import type { PhaseDiagramData } from './types';
-export interface CurveRef {
-    name: string;
-    reverse: boolean;
-    start: number | null;
-    end: number | null;
-}
-export declare function parse_curve_ref(ref: string): CurveRef;
-export declare function apply_slice<T>(arr: T[], start: number | null, end: number | null): T[];
-export declare function build_diagram(input: DiagramInput): PhaseDiagramData;

package/dist/phase-diagram/build-diagram.js

@@ -1,167 +0,0 @@
-// Build PhaseDiagramData from compact DiagramInput JSON format
-//
-// The compact format uses curve references in region bounds to avoid duplicating points.
-// Curve reference syntax:
-//   - "curve_name" - use all points from the curve
-//   - "~curve_name" - use reversed curve points
-//   - "curve_name[1:]" - Python-style slice (skip first point)
-//   - "curve_name[:-1]" - slice (skip last point)
-//   - "~curve_name[1:-1]" - reverse then slice
-import { resolve_diagram_color } from './colors';
-export function parse_curve_ref(ref) {
-    let name = ref;
-    let reverse = false;
-    let start = null;
-    let end = null;
-    // Check for reverse prefix
-    if (name.startsWith(`~`)) {
-        reverse = true;
-        name = name.slice(1);
-    }
-    // Check for slice suffix [start:end]
-    const slice_match = /^(.+)\[(-?\d*):(-?\d*)\]$/.exec(name);
-    if (slice_match) {
-        name = slice_match[1];
-        start = slice_match[2] ? parseInt(slice_match[2]) : null;
-        end = slice_match[3] ? parseInt(slice_match[3]) : null;
-    }
-    return { name, reverse, start, end };
-}
-// Apply slicing to array (Python-style negative indices supported)
-export function apply_slice(arr, start, end) {
-    const len = arr.length;
-    let start_idx = start ?? 0;
-    let end_idx = end ?? len;
-    // Handle negative indices
-    if (start_idx < 0)
-        start_idx = Math.max(0, len + start_idx);
-    if (end_idx < 0)
-        end_idx = Math.max(0, len + end_idx);
-    return arr.slice(start_idx, end_idx);
-}
-// Expand bounds to vertex list
-function expand_bounds(bounds, curves) {
-    const vertices = [];
-    for (const bound of bounds) {
-        if (Array.isArray(bound)) {
-            // Inline point
-            vertices.push(bound);
-        }
-        else {
-            // Curve reference
-            const ref = parse_curve_ref(bound);
-            let points = curves[ref.name];
-            if (!points) {
-                console.warn(`Unknown curve: ${ref.name}`);
-                continue;
-            }
-            // Apply reverse first (to match Python's `reversed(curve)[1:]` pattern)
-            if (ref.reverse) {
-                points = points.toReversed();
-            }
-            // Then apply slice
-            points = apply_slice(points, ref.start, ref.end);
-            vertices.push(...points);
-        }
-    }
-    return vertices;
-}
-// Remove consecutive duplicate vertices
-function dedupe_consecutive_vertices(vertices) {
-    if (vertices.length <= 1)
-        return vertices;
-    const result = [vertices[0]];
-    for (let idx = 1; idx < vertices.length; idx++) {
-        const prev = result[result.length - 1];
-        const curr = vertices[idx];
-        if (curr[0] !== prev[0] || curr[1] !== prev[1]) {
-            result.push(curr);
-        }
-    }
-    // Remove redundant closing vertex if polygon is explicitly closed
-    if (result.length > 1) {
-        const first = result[0];
-        const last = result[result.length - 1];
-        if (first[0] === last[0] && first[1] === last[1]) {
-            result.pop();
-        }
-    }
-    return result;
-}
-// Infer boundary type from curve name
-function infer_boundary_type(curve_name) {
-    const lower = curve_name.toLowerCase();
-    if (lower.startsWith(`liquidus`))
-        return `liquidus`;
-    if (lower.startsWith(`solidus`))
-        return `solidus`;
-    if (lower.startsWith(`solvus`))
-        return `solvus`;
-    if (lower.startsWith(`eutectic`))
-        return `eutectic`;
-    if (lower.startsWith(`peritectic`))
-        return `peritectic`;
-    return `custom`;
-}
-// Get default boundary style based on type
-function get_boundary_style(btype) {
-    switch (btype) {
-        case `liquidus`:
-            return { color: `#1565c0`, width: 2.5 };
-        case `solidus`:
-            return { color: `#2e7d32`, width: 2, dash: `4,2` };
-        case `solvus`:
-            return { color: `#7b1fa2`, width: 1.5, dash: `2,2` };
-        case `eutectic`:
-        case `peritectic`:
-            return { color: `#d32f2f`, width: 2 };
-        default:
-            return { color: `#333`, width: 1.5 };
-    }
-}
-// Build full PhaseDiagramData from compact DiagramInput JSON format
-// Expands curve references in region bounds to full vertex lists
-// and applies default styling based on boundary type names
-export function build_diagram(input) {
-    const { meta, curves, regions, special_points } = input;
-    // Build regions by expanding bounds to vertices
-    const built_regions = regions.map((region) => {
-        const vertices = dedupe_consecutive_vertices(expand_bounds(region.bounds, curves));
-        return {
-            id: region.id,
-            name: region.name,
-            vertices,
-            color: resolve_diagram_color(region.color),
-            ...(region.label_position && { label_position: region.label_position }),
-        };
-    });
-    // Build boundaries from all curves
-    const boundaries = Object.entries(curves).map(([name, points]) => {
-        const btype = infer_boundary_type(name);
-        return {
-            id: name,
-            type: btype,
-            points,
-            style: get_boundary_style(btype),
-        };
-    });
-    // Build the full diagram data (spread optional fields conditionally)
-    return {
-        components: meta.components,
-        temperature_range: meta.temp_range,
-        temperature_unit: meta.temp_unit,
-        composition_unit: meta.comp_unit,
-        title: meta.title,
-        regions: built_regions,
-        boundaries,
-        special_points: special_points?.map((sp) => ({
-            id: sp.id,
-            type: sp.type,
-            position: sp.position,
-            label: sp.label,
-        })),
-        ...(meta.pseudo_binary && { pseudo_binary: meta.pseudo_binary }),
-        ...(meta.x_axis_label && { x_axis_label: meta.x_axis_label }),
-        ...(meta.y_axis_label && { y_axis_label: meta.y_axis_label }),
-    };
-}

package/dist/phase-diagram/colors.d.ts

@@ -1,35 +0,0 @@
-export declare const DIAGRAM_COLORS: {
-    readonly liquid: string;
-    readonly fcc_a1: string;
-    readonly fcc_cu: string;
-    readonly bcc_a2: string;
-    readonly hcp_a3: string;
-    readonly diamond: string;
-    readonly intermetallic: string;
-    readonly intermetallic_alt: string;
-    readonly intermetallic_blue: string;
-    readonly gold: string;
-    readonly two_phase: string;
-    readonly two_phase_fcc_liquid: string;
-    readonly two_phase_fcc_alt: string;
-    readonly two_phase_bcc_liquid: string;
-    readonly two_phase_hcp_liquid: string;
-    readonly two_phase_intermetallic: string;
-    readonly two_phase_intermetallic_alt: string;
-    readonly two_phase_theta_liquid: string;
-    readonly two_phase_theta_cu: string;
-    readonly two_phase_alt: string;
-    readonly two_phase_mixed: string;
-    readonly two_phase_gamma: string;
-    readonly two_phase_gamma_hcp: string;
-    readonly two_phase_ausn: string;
-    readonly two_phase_si: string;
-    readonly two_phase_au_liquid: string;
-    readonly two_phase_au_ausn: string;
-    readonly two_phase_eta: string;
-    readonly two_phase_alfe: string;
-    readonly two_phase_alfe_bcc: string;
-    readonly two_phase_beta_gamma: string;
-};
-export type DiagramColorKey = keyof typeof DIAGRAM_COLORS;
-export declare function resolve_diagram_color(color: string): string;

package/dist/phase-diagram/colors.js

@@ -1,51 +0,0 @@
-// Phase diagram color palette
-// Keys can be referenced in diagram JSON files
-const rgba = (r, g, b, a = 0.6) => `rgba(${r}, ${g}, ${b}, ${a})`;
-// Color palette for diagram JSON files - keyed colors that can be referenced by name
-export const DIAGRAM_COLORS = {
-    // Single-phase regions (alpha=0.6)
-    liquid: rgba(135, 206, 250),
-    fcc_a1: rgba(144, 238, 144),
-    fcc_cu: rgba(255, 180, 150),
-    bcc_a2: rgba(255, 182, 193),
-    hcp_a3: rgba(221, 160, 221),
-    diamond: rgba(173, 216, 230),
-    intermetallic: rgba(255, 200, 150),
-    intermetallic_alt: rgba(200, 180, 255),
-    intermetallic_blue: rgba(180, 200, 230),
-    gold: rgba(255, 215, 0),
-    // Two-phase regions (alpha=0.5)
-    two_phase: rgba(255, 235, 156, 0.5),
-    two_phase_fcc_liquid: rgba(180, 230, 180, 0.5),
-    two_phase_fcc_alt: rgba(200, 230, 200, 0.5),
-    two_phase_bcc_liquid: rgba(255, 200, 200, 0.5),
-    two_phase_hcp_liquid: rgba(230, 180, 230, 0.5),
-    two_phase_intermetallic: rgba(255, 220, 180, 0.5),
-    two_phase_intermetallic_alt: rgba(255, 210, 180, 0.5),
-    two_phase_theta_liquid: rgba(255, 235, 200, 0.5),
-    two_phase_theta_cu: rgba(255, 200, 180, 0.5),
-    two_phase_alt: rgba(220, 200, 240, 0.5),
-    two_phase_mixed: rgba(230, 200, 220, 0.5),
-    two_phase_gamma: rgba(180, 200, 250, 0.5),
-    two_phase_gamma_hcp: rgba(230, 230, 180, 0.5),
-    two_phase_ausn: rgba(200, 180, 230, 0.5),
-    two_phase_si: rgba(180, 220, 250, 0.5),
-    two_phase_au_liquid: rgba(255, 235, 150, 0.5),
-    two_phase_au_ausn: rgba(255, 230, 180, 0.5),
-    two_phase_eta: rgba(230, 200, 230, 0.5),
-    two_phase_alfe: rgba(220, 200, 255, 0.5),
-    two_phase_alfe_bcc: rgba(230, 200, 200, 0.5),
-    two_phase_beta_gamma: rgba(230, 200, 180, 0.5),
-};
-// Resolve color from DIAGRAM_COLORS key or pass through raw CSS color string
-export function resolve_diagram_color(color) {
-    const resolved = DIAGRAM_COLORS[color];
-    const is_raw_color = color.startsWith(`rgb`) ||
-        color.startsWith(`hsl`) ||
-        color.startsWith(`#`) ||
-        color.startsWith(`var(`);
-    if (!resolved && !is_raw_color) {
-        console.warn(`Unknown diagram color key: "${color}". Using as raw color value.`);
-    }
-    return resolved ?? color;
-}

package/dist/phase-diagram/diagram-input.d.ts

@@ -1,33 +0,0 @@
-import type { CompUnit, PseudoBinaryMetadata, SpecialPointType, TempUnit } from './types';
-export type DiagramPoint = [number, number];
-export type TempRange = [number, number];
-export type BoundElement = string | DiagramPoint;
-export interface DiagramInputMeta {
-    components: [string, string];
-    temp_range: TempRange;
-    temp_unit?: TempUnit;
-    comp_unit?: CompUnit;
-    title?: string;
-    pseudo_binary?: PseudoBinaryMetadata;
-    x_axis_label?: string;
-    y_axis_label?: string;
-}
-export interface RegionInput {
-    id: string;
-    name: string;
-    color: string;
-    bounds: BoundElement[];
-    label_position?: DiagramPoint;
-}
-export interface SpecialPointInput {
-    id: string;
-    type: SpecialPointType;
-    position: DiagramPoint;
-    label?: string;
-}
-export interface DiagramInput {
-    meta: DiagramInputMeta;
-    curves: Record<string, DiagramPoint[]>;
-    regions: RegionInput[];
-    special_points?: SpecialPointInput[];
-}

package/dist/phase-diagram/diagram-input.js

@@ -1,3 +0,0 @@
-// Input types for compact phase diagram definitions
-// These are transformed by build-diagram.ts into full PhaseDiagramData
-export {};

package/dist/phase-diagram/index.d.ts

@@ -1,13 +0,0 @@
-export { build_diagram } from './build-diagram';
-export * from './colors';
-export * from './diagram-input';
-export { default as IsobaricBinaryPhaseDiagram } from './IsobaricBinaryPhaseDiagram.svelte';
-export * from './parse';
-export { default as PhaseDiagramControls } from './PhaseDiagramControls.svelte';
-export { default as PhaseDiagramEditorPane } from './PhaseDiagramEditorPane.svelte';
-export { default as PhaseDiagramExportPane } from './PhaseDiagramExportPane.svelte';
-export { default as PhaseDiagramTooltip } from './PhaseDiagramTooltip.svelte';
-export { parse_phase_diagram_svg } from './svg-to-diagram';
-export { default as TdbInfoPanel } from './TdbInfoPanel.svelte';
-export * from './types';
-export * from './utils';

package/dist/phase-diagram/index.js

@@ -1,13 +0,0 @@
-export { build_diagram } from './build-diagram';
-export * from './colors';
-export * from './diagram-input';
-export { default as IsobaricBinaryPhaseDiagram } from './IsobaricBinaryPhaseDiagram.svelte';
-export * from './parse';
-export { default as PhaseDiagramControls } from './PhaseDiagramControls.svelte';
-export { default as PhaseDiagramEditorPane } from './PhaseDiagramEditorPane.svelte';
-export { default as PhaseDiagramExportPane } from './PhaseDiagramExportPane.svelte';
-export { default as PhaseDiagramTooltip } from './PhaseDiagramTooltip.svelte';
-export { parse_phase_diagram_svg } from './svg-to-diagram';
-export { default as TdbInfoPanel } from './TdbInfoPanel.svelte';
-export * from './types';
-export * from './utils';

package/dist/phase-diagram/parse.d.ts

@@ -1,55 +0,0 @@
-export declare const TDB_TEMP_DEFAULTS: {
-    readonly min: 298.15;
-    readonly max_fallback: 3000;
-    readonly max_range: 5000;
-};
-export interface TdbElement {
-    symbol: string;
-    reference_phase: string;
-    mass: number;
-    enthalpy: number;
-    entropy: number;
-}
-export interface TdbPhase {
-    name: string;
-    model_hints: string;
-    sublattice_count: number;
-    sublattice_sites: number[];
-    constituents?: string[][];
-}
-export interface TdbFunction {
-    name: string;
-    expression: string;
-    temperature_ranges: {
-        min: number;
-        max: number;
-        expr: string;
-    }[];
-}
-export interface TdbParameter {
-    type: string;
-    phase: string;
-    constituents: string[];
-    order: number;
-    expression: string;
-}
-export interface TdbData {
-    elements: TdbElement[];
-    phases: TdbPhase[];
-    functions: TdbFunction[];
-    parameters: TdbParameter[];
-    comments: string[];
-    raw_content: string;
-}
-export interface TdbParseResult {
-    success: boolean;
-    data: TdbData | null;
-    error?: string;
-    binary_system?: [string, string];
-    available_phases?: string[];
-    temperature_range?: [number, number];
-}
-export declare function parse_tdb(content: string): TdbParseResult;
-export declare function get_system_name(elements: string[]): string;
-export declare function is_binary_system(tdb_data: TdbData): boolean;
-export declare function normalize_system_name(input: string): string;