matterviz 0.4.1 → 0.4.3

package/dist/file-viewer/JsonBrowser.svelte.d.ts

@@ -0,0 +1,9 @@
+import { type DefaultSettings } from '../settings';
+type $$ComponentProps = {
+    value: unknown;
+    defaults?: DefaultSettings;
+    filename?: string;
+};
+declare const JsonBrowser: import("svelte").Component<$$ComponentProps, {}, "">;
+type JsonBrowser = ReturnType<typeof JsonBrowser>;
+export default JsonBrowser;

package/dist/file-viewer/PlotPanel.svelte

@@ -0,0 +1,350 @@
+<script lang="ts">
+  import Icon from '../Icon.svelte'
+  import { BarPlot, Histogram, ScatterPlot } from '../plot'
+  import ScatterPlot3D from '../plot/scatter-3d/ScatterPlot3D.svelte'
+  import type { Label, RowData } from '../table'
+  import HeatmapTable from '../table/HeatmapTable.svelte'
+  import {
+    build_bar_series,
+    build_histogram_series,
+    build_scatter3d_series,
+    build_scatter_series,
+    col_keys,
+    extract_columns,
+    suggest_mapping,
+  } from './plot-utils'
+  import type { PlotType, AxisMapping } from './plot-utils'
+
+  let {
+    data,
+    initial_type,
+    onclose,
+  }: {
+    data: unknown
+    initial_type?: PlotType
+    onclose?: () => void
+  } = $props()
+
+  let columns = $derived(extract_columns(data))
+  let suggestion = $derived(suggest_mapping(columns))
+
+  let plot_type = $state<PlotType>(`scatter`)
+  let mapping = $state<AxisMapping>({})
+
+  // Initialize from suggestion (or explicit initial_type) when columns change
+  $effect(() => {
+    plot_type = initial_type ?? suggestion.plot_type
+    mapping = { ...suggestion.mapping }
+    zoom_level = 1
+  })
+
+  let numeric_keys = $derived(col_keys(columns, `numeric`))
+  let string_keys = $derived(col_keys(columns, `string`))
+  // X options: numeric for scatter/histogram, numeric + string for bar
+  let x_keys = $derived(plot_type === `bar` ? [...string_keys, ...numeric_keys] : numeric_keys)
+
+  // Build the appropriate series from current mapping
+  let scatter_series = $derived(
+    plot_type === `scatter` ? [build_scatter_series(columns, mapping)] : [],
+  )
+  let scatter3d_series = $derived(
+    plot_type === `scatter3d` ? [build_scatter3d_series(columns, mapping)] : [],
+  )
+  let bar_series = $derived(plot_type === `bar` ? [build_bar_series(columns, mapping)] : [])
+  let histogram_series = $derived(
+    plot_type === `histogram` ? [build_histogram_series(columns, mapping)] : [],
+  )
+
+  // Prepare table data (row-based format for HeatmapTable)
+  let table_data = $derived.by<RowData[]>(() => {
+    if (plot_type !== `table` || data == null) return []
+    if (Array.isArray(data)) return data as RowData[]
+    const rec = data as Record<string, unknown[]>
+    const keys = Object.keys(rec).filter((key) => Array.isArray(rec[key]))
+    if (keys.length === 0) return []
+    return Array.from(
+      { length: (rec[keys[0]] as unknown[]).length },
+      (_, idx) =>
+        Object.fromEntries(keys.map((key) => [key, (rec[key] as unknown[])[idx]])) as RowData,
+    )
+  })
+
+  // Generate column labels from extracted columns for HeatmapTable
+  let table_columns = $derived<Label[]>(
+    [...columns.entries()].map(([key, col]) => {
+      if (col.type !== `numeric`) return { label: key, color_scale: null }
+      const is_integer = col.values.every(
+        (val) => val == null || (typeof val === `number` && Number.isInteger(val)),
+      )
+      return {
+        label: key,
+        color_scale: `interpolateViridis` as const,
+        format: is_integer ? `,d` : `.4~g`,
+      }
+    }),
+  )
+
+  function col_label(key: string): string {
+    const col = columns.get(key)
+    const prefix = col?.type === `numeric` ? `#` : `A`
+    return `${prefix} ${key}`
+  }
+
+  // Available plot types based on columns
+  let available_types = $derived.by<{ value: PlotType; label: string }[]>(() => {
+    const types: { value: PlotType; label: string }[] = []
+    if (numeric_keys.length >= 2) types.push({ value: `scatter`, label: `Scatter` })
+    if (numeric_keys.length >= 3) {
+      types.push({ value: `scatter3d`, label: `Scatter 3D` })
+    }
+    if (string_keys.length >= 1 && numeric_keys.length >= 1) {
+      types.push({ value: `bar`, label: `Bar` })
+    }
+    if (numeric_keys.length >= 1) {
+      types.push({ value: `histogram`, label: `Histogram` })
+    }
+    types.push({ value: `table`, label: `Table` })
+    return types
+  })
+
+  // Data point count for the toolbar badge
+  let data_count = $derived.by(() => {
+    if (Array.isArray(data)) return data.length
+    const first_col = [...columns.values()][0]
+    return first_col?.values.length ?? 0
+  })
+
+  // Pinch-to-zoom: trackpad pinch fires wheel events with ctrlKey=true
+  let zoom_level = $state(1)
+  function on_pinch_zoom(event: WheelEvent): void {
+    if (!event.ctrlKey) return
+    event.preventDefault()
+    const delta = -event.deltaY * 0.01
+    zoom_level = Math.min(5, Math.max(0.25, zoom_level + delta))
+  }
+  function reset_zoom(): void {
+    zoom_level = 1
+  }
+</script>
+
+{#if columns.size > 0}
+  <div class="plot-panel">
+    <div class="toolbar">
+      {#if onclose}
+        <button class="close-btn" onclick={onclose} title="Back to overview (Esc)">
+          &times;
+        </button>
+      {/if}
+      <select bind:value={plot_type}>
+        {#each available_types as opt (opt.value)}
+          <option value={opt.value}>{opt.label}</option>
+        {/each}
+      </select>
+
+      {#snippet axis_select(label: string, axis: keyof AxisMapping, keys: string[])}
+        <label>
+          {label}
+          <select bind:value={mapping[axis]}>
+            <option value={undefined}>--</option>
+            {#each keys as key (key)}
+              <option value={key}>{col_label(key)}</option>
+            {/each}
+          </select>
+        </label>
+      {/snippet}
+
+      {#if plot_type !== `table`}
+        {@render axis_select(`X`, `x`, x_keys)}
+      {/if}
+      {#if plot_type !== `histogram` && plot_type !== `table`}
+        {@render axis_select(`Y`, `y`, numeric_keys)}
+      {/if}
+      {#if plot_type === `scatter3d`}
+        {@render axis_select(`Z`, `z`, numeric_keys)}
+      {/if}
+      {#if plot_type === `scatter` || plot_type === `scatter3d`}
+        {@render axis_select(`Color`, `color`, numeric_keys)}
+        {@render axis_select(`Size`, `size`, numeric_keys)}
+      {/if}
+      <span class="data-badge">
+        {data_count.toLocaleString()} rows · {columns.size} cols
+      </span>
+      {#if zoom_level !== 1}
+        <span class="zoom-control">
+          <input
+            type="number"
+            aria-label="Zoom percentage"
+            min="25"
+            max="500"
+            step="25"
+            value={Math.round(zoom_level * 100)}
+            oninput={(event) => {
+              const pct = Number(event.currentTarget.value)
+              if (pct >= 25 && pct <= 500) zoom_level = pct / 100
+            }}
+          />%
+          <button class="zoom-reset-btn" onclick={reset_zoom} title="Reset zoom">
+            <Icon icon="Reset" style="width: 12px; height: 12px" />
+          </button>
+        </span>
+      {/if}
+    </div>
+
+    <!-- svelte-ignore a11y_no_static_element_interactions -->
+    <div class="plot-viewport" onwheel={on_pinch_zoom} ondblclick={reset_zoom}>
+      <div
+        class="plot-container"
+        style:transform="scale({zoom_level})"
+        style:transform-origin="top left"
+        style:width="{100 / zoom_level}%"
+        style:height="{100 / zoom_level}%"
+      >
+        {#if plot_type === `scatter`}
+          <ScatterPlot
+            series={scatter_series}
+            x_axis={{ label: mapping.x ?? `x` }}
+            y_axis={{ label: mapping.y ?? `y` }}
+            color_bar={mapping.color ? { title: mapping.color } : undefined}
+            style="height: 100%"
+          />
+        {:else if plot_type === `scatter3d`}
+          <ScatterPlot3D
+            series={scatter3d_series}
+            x_axis={{ label: mapping.x ?? `x` }}
+            y_axis={{ label: mapping.y ?? `y` }}
+            z_axis={{ label: mapping.z ?? `z` }}
+            color_bar={mapping.color ? { title: mapping.color } : undefined}
+            style="height: 100%"
+          />
+        {:else if plot_type === `bar`}
+          <BarPlot
+            series={bar_series}
+            x_axis={{ label: mapping.x ?? `x` }}
+            y_axis={{ label: mapping.y ?? `y` }}
+            style="height: 100%"
+          />
+        {:else if plot_type === `histogram`}
+          <Histogram
+            series={histogram_series}
+            x_axis={{ label: mapping.x ?? mapping.y ?? `value` }}
+            y_axis={{ label: `Count` }}
+            style="height: 100%"
+          />
+        {:else if plot_type === `table`}
+          <HeatmapTable
+            data={table_data}
+            columns={table_columns}
+            search
+            export_data
+            allow_better_toggle
+            show_controls
+            scroll_style="max-height: 100%"
+            style="height: 100%; text-align: left"
+          />
+        {/if}
+      </div>
+    </div>
+  </div>
+{:else}
+  <div class="plot-panel empty">
+    <p>No plottable columns found</p>
+  </div>
+{/if}
+
+<style>
+  .plot-panel {
+    display: flex;
+    flex-direction: column;
+    height: 100%;
+    overflow: hidden;
+  }
+  .toolbar {
+    display: flex;
+    flex-wrap: wrap;
+    gap: 4px 14px;
+    padding: 6px 10px;
+    background: var(--vscode-editor-background, #1e1e1e);
+    border-bottom: 1px solid var(--vscode-panel-border, #333);
+    align-items: center;
+    font-size: 12px;
+  }
+  .toolbar label {
+    display: flex;
+    align-items: center;
+    gap: 3px;
+    color: var(--vscode-foreground, #ccc);
+    font-weight: 500;
+  }
+  .close-btn {
+    background: none;
+    border: none;
+    color: var(--vscode-foreground, #ccc);
+    font-size: 16px;
+    cursor: pointer;
+    padding: 0 4px;
+    line-height: 1;
+    opacity: 0.5;
+    &:hover {
+      opacity: 1;
+    }
+  }
+  .toolbar select {
+    background: var(--vscode-input-background, #3c3c3c);
+    color: var(--vscode-input-foreground, #ccc);
+    border: 1px solid var(--vscode-input-border, #555);
+    border-radius: 3px;
+    padding: 2px 4px;
+    font-size: 11px;
+    max-width: 140px;
+  }
+  .plot-viewport {
+    flex: 1;
+    min-height: 0;
+    overflow: auto;
+  }
+  .plot-container {
+    width: 100%;
+    height: 100%;
+  }
+  .data-badge {
+    color: var(--vscode-descriptionForeground, #888);
+    font-size: 11px;
+    margin-left: auto;
+  }
+  .zoom-control {
+    display: flex;
+    align-items: center;
+    gap: 2px;
+    color: var(--vscode-foreground, #ccc);
+    font-size: 11px;
+    input {
+      width: 3.5em;
+      box-sizing: border-box;
+      background: var(--vscode-input-background, #3c3c3c);
+      color: var(--vscode-input-foreground, #ccc);
+      border: 1px solid var(--vscode-input-border, #555);
+      border-radius: 3px;
+      padding: 1px 3px;
+      font-size: 11px;
+      text-align: right;
+    }
+  }
+  .zoom-reset-btn {
+    background: none;
+    border: none;
+    color: var(--vscode-foreground, #ccc);
+    cursor: pointer;
+    padding: 2px;
+    display: flex;
+    opacity: 0.7;
+    &:hover {
+      opacity: 1;
+    }
+  }
+  .empty {
+    display: flex;
+    align-items: center;
+    justify-content: center;
+    color: var(--vscode-descriptionForeground, #888);
+  }
+</style>

package/dist/file-viewer/PlotPanel.svelte.d.ts

@@ -0,0 +1,9 @@
+import type { PlotType } from './plot-utils';
+type $$ComponentProps = {
+    data: unknown;
+    initial_type?: PlotType;
+    onclose?: () => void;
+};
+declare const PlotPanel: import("svelte").Component<$$ComponentProps, {}, "">;
+type PlotPanel = ReturnType<typeof PlotPanel>;
+export default PlotPanel;

package/dist/file-viewer/TrajectoryWithDos.svelte

@@ -0,0 +1,30 @@
+<script lang="ts">
+  // Trajectory viewer with an electronic DOS panel below it, for vaspout.h5
+  // files that carry results/electron_dos alongside the ionic trajectory.
+  // Single component so create_display keeps returning one mountable app.
+  import type { DosInput } from '../spectral'
+  import Dos from '../spectral/Dos.svelte'
+  import Trajectory from '../trajectory/Trajectory.svelte'
+  import type { ComponentProps } from 'svelte'
+
+  let {
+    dos,
+    trajectory_props,
+  }: {
+    dos: DosInput
+    trajectory_props: ComponentProps<typeof Trajectory>
+  } = $props()
+</script>
+
+<div class="trajectory-with-dos">
+  <Trajectory {...trajectory_props} style={`${trajectory_props.style ?? ``}; min-height: 0`} />
+  <Dos doses={dos} style="min-height: 0" />
+</div>
+
+<style>
+  .trajectory-with-dos {
+    display: grid;
+    grid-template-rows: minmax(0, 2fr) minmax(0, 1fr);
+    height: 100%;
+  }
+</style>

package/dist/file-viewer/TrajectoryWithDos.svelte.d.ts

@@ -0,0 +1,10 @@
+import type { DosInput } from '../spectral';
+import Trajectory from '../trajectory/Trajectory.svelte';
+import type { ComponentProps } from 'svelte';
+type $$ComponentProps = {
+    dos: DosInput;
+    trajectory_props: ComponentProps<typeof Trajectory>;
+};
+declare const TrajectoryWithDos: import("svelte").Component<$$ComponentProps, {}, "">;
+type TrajectoryWithDos = ReturnType<typeof TrajectoryWithDos>;
+export default TrajectoryWithDos;

package/dist/file-viewer/detect.d.ts

@@ -0,0 +1,11 @@
+export { resolve_path } from '../json-path';
+export type RenderableType = `structure` | `fermi_surface` | `band_grid` | `convex_hull` | `volumetric` | `phase_diagram` | `band_structure` | `dos` | `bands_and_dos` | `brillouin_zone` | `xrd` | `table` | `plot`;
+export declare const TYPE_LABELS: Record<RenderableType, string>;
+export declare const TYPE_COLORS: Record<RenderableType, string>;
+export declare function is_plottable_data(obj: unknown): boolean;
+export declare function detect_view_type(value: unknown): RenderableType | null;
+interface RenderablePath {
+    type: RenderableType;
+    label: string;
+}
+export declare function scan_renderable_paths(obj: unknown, prefix?: string, max_depth?: number): Map<string, RenderablePath>;