matterviz 0.3.1 → 0.3.3

package/dist/periodic-table/PeriodicTable.svelte

@@ -1,168 +1,300 @@
-<script lang="ts">import { is_color } from '../colors';
-import { element_data, ElementPhoto, ElementTile } from '../element';
-import { ELEM_SYMBOLS } from '../labels';
-import { ColorBar } from '../plot';
-import { colors } from '../state.svelte';
-import * as d3_sc from 'd3-scale-chromatic';
-import { TableInset } from './index';
-const default_f_block_inset_tiles = [
+<script lang="ts">
+  import { is_color } from '../colors'
+  import type { ChemicalElement, ElementCategory, ElementSymbol } from '../element'
+  import { element_data, ElementPhoto, ElementTile } from '../element'
+  import { ELEM_SYMBOLS } from '../labels'
+  import type { Vec2 } from '../math'
+  import type { XyObj } from '../plot'
+  import { ColorBar } from '../plot'
+  import { colors } from '../state.svelte'
+  import * as d3_sc from 'd3-scale-chromatic'
+  import type { ComponentProps, Snippet } from 'svelte'
+  import type { HTMLAttributes } from 'svelte/elements'
+  import type { D3InterpolateName } from '../colors'
+  import type { ScaleContext } from './index'
+  import { TableInset } from './index'
+
+  const default_f_block_inset_tiles = [
     { name: `Lanthanides`, symbol: `La-Lu`, number: `57-71`, category: `lanthanide` },
     { name: `Actinides`, symbol: `Ac-Lr`, number: `89-103`, category: `actinide` },
-];
-let { tile_props, show_photo = false, disabled = false, heatmap_values = [], links = null, log = false, color_scale = $bindable(`interpolateViridis`), active_element = $bindable(null), active_category = $bindable(null), active_elements = $bindable([]), gap = `0.3cqw`, inner_transition_metal_offset = 0.5, lanth_act_tiles = tile_props?.show_symbol == false
-    ? []
-    : [...default_f_block_inset_tiles], lanth_act_style = ``, color_scale_range = [null, null], color_overrides = {}, labels = {}, missing_color = `element-category`, split_layout = undefined, show_color_bar = true, color_bar_props = {}, inset, bottom_left_inset, tooltip = false, onenter, children, ...rest } = $props();
-let heat_values = $derived.by(() => {
+  ] as const
+  let {
+    tile_props,
+    show_photo = false,
+    disabled = false,
+    heatmap_values = [],
+    links = null,
+    log = false,
+    color_scale = $bindable(`interpolateViridis`),
+    active_element = $bindable(null),
+    active_category = $bindable(null),
+    active_elements = $bindable([]),
+    gap = `0.3cqw`,
+    inner_transition_metal_offset = 0.5,
+    lanth_act_tiles = tile_props?.show_symbol == false
+      ? []
+      : [...default_f_block_inset_tiles],
+    lanth_act_style = ``,
+    color_scale_range = [null, null],
+    color_overrides = {},
+    labels = {},
+    missing_color = `element-category`,
+    split_layout = undefined,
+    show_color_bar = true,
+    color_bar_props = {},
+    inset,
+    bottom_left_inset,
+    tooltip = false,
+    onenter,
+    children,
+    ...rest
+  }: HTMLAttributes<HTMLDivElement> & {
+    tile_props?: Partial<ComponentProps<typeof ElementTile>>
+    show_photo?: boolean
+    disabled?: boolean // disable hover and click events from updating active_element
+    // either array of numbers/colors (can be partial, missing elements default to 0) or object with
+    // element symbol as key and heat value as value
+    // NEW: each value can now be a single number/color or array of 1-4 numbers/colors for multi-segment display
+    heatmap_values?:
+      | Partial<Record<ElementSymbol, number | number[] | string | string[]>>
+      | (number | number[] | string | string[])[]
+    // links is either string with element property (name, symbol, number, ...) to use as link,
+    // or object with mapping element symbols to link
+    links?: keyof ChemicalElement | Record<ElementSymbol, string> | null
+    log?: boolean
+    color_scale?: D3InterpolateName | ((num: number) => string)
+    active_element?: ChemicalElement | null
+    active_category?: ElementCategory | null
+    // array of element symbols or ChemicalElement objects to highlight
+    active_elements?: (ElementSymbol | ChemicalElement)[]
+    gap?: string // gap between element tiles, default is 0.3% of container width
+    inner_transition_metal_offset?: number
+    // show lanthanides and actinides as tiles
+    lanth_act_tiles?: {
+      name: string
+      symbol: string
+      number: string
+      category: ElementCategory
+    }[]
+    lanth_act_style?: string
+    color_scale_range?: [number | null, number | null]
+    color_overrides?: Partial<Record<ElementSymbol, string>>
+    labels?: Partial<Record<ElementSymbol, string>>
+    // background color for elements missing from heatmap_values
+    // "element-category" falls back to element category default color
+    missing_color?: string
+    // control the layout of multi-value splits for all tiles
+    split_layout?: `diagonal` | `horizontal` | `vertical` | `triangular` | `quadrant`
+    // automatically show a color bar when heatmap_values is provided (default: true)
+    show_color_bar?: boolean
+    // props to pass to the ColorBar component (e.g. { title: 'Bar Title', tick_labels: 5 })
+    color_bar_props?: Partial<ComponentProps<typeof ColorBar>>
+    inset?: Snippet<[{ active_element: ChemicalElement | null }]>
+    bottom_left_inset?: Snippet<[{ active_element: ChemicalElement | null }]>
+    tooltip?:
+      | Snippet<
+        [
+          {
+            element: ChemicalElement
+            value: number | number[] | string | string[]
+            active: boolean
+            bg_color: string | null
+            scale_context: ScaleContext
+          },
+        ]
+      >
+      | boolean
+    children?: Snippet
+    onenter?: (element: ChemicalElement) => void
+  } = $props()
+
+  let heat_values = $derived.by(() => {
     if (Array.isArray(heatmap_values)) {
-        if (heatmap_values.length > 118) {
-            console.error(`heatmap_values is an array of numbers/arrays, length should be 118 or less, one for ` +
-                `each element possibly omitting elements at the end, got ${heatmap_values.length}`);
-            return [];
-        }
-        else
-            return heatmap_values;
-    }
-    else if (typeof heatmap_values == `object`) {
-        const bad_keys = Object.keys(heatmap_values).filter((key) => !ELEM_SYMBOLS.includes(key));
-        if (bad_keys.length > 0) {
-            console.error(`heatmap_values is an object, keys should be element symbols, got ${bad_keys}`);
-            return [];
-        }
-        return ELEM_SYMBOLS.map((symbol) => heatmap_values[symbol] ?? 0);
+      if (heatmap_values.length > 118) {
+        console.error(
+          `heatmap_values is an array of numbers/arrays, length should be 118 or less, one for ` +
+            `each element possibly omitting elements at the end, got ${heatmap_values.length}`,
+        )
+        return []
+      } else return heatmap_values
+    } else if (typeof heatmap_values == `object`) {
+      const bad_keys = Object.keys(heatmap_values).filter(
+        (key) => !ELEM_SYMBOLS.includes(key as ElementSymbol),
+      )
+      if (bad_keys.length > 0) {
+        console.error(
+          `heatmap_values is an object, keys should be element symbols, got ${bad_keys}`,
+        )
+        return []
+      }
+      return ELEM_SYMBOLS.map((symbol) => heatmap_values[symbol] ?? 0)
     }
-    return [];
-});
-let set_active_element = $derived((element) => () => {
-    if (disabled)
-        return;
-    active_element = element;
-});
-let window_width = $state(0);
-let tooltip_element = $state(null);
-let tooltip_pos = $state({ x: 0, y: 0 });
-let tooltip_visible = $state(false);
-function handle_key(event) {
-    if (disabled || !active_element)
-        return;
-    if (event.key == `Enter`)
-        onenter?.(active_element);
-    const arrow_keys = [`ArrowUp`, `ArrowDown`, `ArrowLeft`, `ArrowRight`];
-    if (!arrow_keys.includes(event.key))
-        return;
-    event.preventDefault(); // prevent scrolling the page
-    event.stopPropagation();
+    return []
+  })
+
+  let set_active_element = $derived((element: ChemicalElement | null) => () => {
+    if (disabled) return
+    active_element = element
+  })
+
+  let window_width: number = $state(0)
+  let tooltip_element: ChemicalElement | null = $state(null)
+  let tooltip_pos: XyObj = $state({ x: 0, y: 0 })
+  let tooltip_visible: boolean = $state(false)
+
+  function handle_key(event: KeyboardEvent) {
+    if (disabled || !active_element) return
+    if (event.key == `Enter`) onenter?.(active_element)
+
+    const arrow_keys = [`ArrowUp`, `ArrowDown`, `ArrowLeft`, `ArrowRight`]
+    if (!arrow_keys.includes(event.key)) return
+
+    event.preventDefault() // prevent scrolling the page
+    event.stopPropagation()
+
     // Arrow key navigation including lanthanides (row 9) and actinides (row 10)
-    const { column: col, row } = active_element;
-    const in_f_block = col >= 3 && col <= 17;
-    const row_map = {
-        ArrowUp: row === 9 ? 6 : row === 10 ? 7 : row - 1,
-        ArrowDown: row === 6 && in_f_block ? 9 : row === 7 && in_f_block ? 10 : row + 1,
-    };
-    const target_row = row_map[event.key] ?? row;
+    const { column: col, row } = active_element
+    const in_f_block = col >= 3 && col <= 17
+    const row_map: Record<string, number> = {
+      ArrowUp: row === 9 ? 6 : row === 10 ? 7 : row - 1,
+      ArrowDown: row === 6 && in_f_block ? 9 : row === 7 && in_f_block ? 10 : row + 1,
+    }
+    const target_row = row_map[event.key] ?? row
     const target_col = event.key === `ArrowLeft`
-        ? col - 1
-        : event.key === `ArrowRight`
-            ? col + 1
-            : col;
+      ? col - 1
+      : event.key === `ArrowRight`
+      ? col + 1
+      : col
     active_element =
-        element_data.find((el) => el.column === target_col && el.row === target_row) ??
-            active_element;
-}
-function handle_tooltip_enter(element, event) {
-    if (tooltip === false || disabled)
-        return;
-    tooltip_element = element;
-    const target = event.currentTarget;
-    const rect = target.getBoundingClientRect();
-    const container_rect = target.closest(`.periodic-table`)?.getBoundingClientRect();
+      element_data.find((el) => el.column === target_col && el.row === target_row) ??
+        active_element
+  }
+
+  function handle_tooltip_enter(element: ChemicalElement, event: MouseEvent) {
+    if (tooltip === false || disabled) return
+    tooltip_element = element
+    const target = event.currentTarget as HTMLElement
+    const rect = target.getBoundingClientRect()
+    const container_rect = target.closest(`.ptable-grid`)?.getBoundingClientRect()
     if (container_rect) {
-        tooltip_pos = {
-            x: rect.left - container_rect.left + rect.width / 2,
-            y: rect.bottom - container_rect.top + 8,
-        };
+      tooltip_pos = {
+        x: rect.left - container_rect.left + rect.width / 2,
+        y: rect.bottom - container_rect.top + 8,
+      }
     }
-    tooltip_visible = true;
-}
-let color_scale_fn = $derived(typeof color_scale == `string` ? d3_sc[color_scale] : color_scale);
-let cs_min = $derived(color_scale_range[0] ??
-    (heat_values.length
-        ? Math.min(...heat_values.flat().filter((v) => typeof v === `number`))
-        : 0));
-let cs_max = $derived(color_scale_range[1] ??
-    (heat_values.length
-        ? Math.max(...heat_values.flat().filter((v) => typeof v === `number`))
-        : 1));
-let bg_color = $derived((value, element) => {
-    if (Array.isArray(value)) {
+    tooltip_visible = true
+  }
+
+  let color_scale_fn = $derived(
+    typeof color_scale == `string` ? d3_sc[color_scale] : color_scale,
+  )
+
+  let cs_min = $derived(
+    color_scale_range[0] ??
+      (heat_values.length
+        ? Math.min(
+          ...heat_values.flat().filter((v): v is number => typeof v === `number`),
+        )
+        : 0),
+  )
+  let cs_max = $derived(
+    color_scale_range[1] ??
+      (heat_values.length
+        ? Math.max(
+          ...heat_values.flat().filter((v): v is number => typeof v === `number`),
+        )
+        : 1),
+  )
+
+  let bg_color = $derived(
+    (
+      value: number | number[] | string | string[] | false,
+      element?: ChemicalElement,
+    ): string | null => {
+      if (Array.isArray(value)) {
         // For arrays, return the color of the first value (used as fallback)
-        return bg_color(value[0], element);
-    }
-    // If it's already a color string, return it directly
-    if (is_color(value))
-        return value;
-    // Return missing color for zero/invalid values or when no heatmap data
-    if (!value ||
+        return bg_color(value[0], element)
+      }
+
+      // If it's already a color string, return it directly
+      if (is_color(value)) return value as string
+
+      // Return missing color for zero/invalid values or when no heatmap data
+      if (
+        !value ||
         value === 0 ||
         (log && value <= 0) ||
         !heat_values?.length ||
-        !color_scale_fn) {
+        !color_scale_fn
+      ) {
         // Use missing color for zero/missing values or when no heatmap data
         if (missing_color === `element-category` && element) {
-            return colors.category[element.category] || `#cccccc`;
+          return colors.category[element.category] || `#cccccc`
         }
-        return missing_color;
-    }
-    // map value to [0, 1] range
-    const span = cs_max - cs_min;
-    if (span === 0)
-        return color_scale_fn?.(0.5); // midpoint when all values equal
-    if (log)
-        value = Math.log(value - cs_min + 1) / Math.log(span + 1);
-    else
-        value = (value - cs_min) / span;
-    return color_scale_fn?.(value);
-});
-let bg_colors = $derived((value, element) => {
-    if (!Array.isArray(value))
-        return [];
-    return value.map((v) => {
+        return missing_color
+      }
+
+      // map value to [0, 1] range
+      const span = cs_max - cs_min
+      if (span === 0) return color_scale_fn?.(0.5) // midpoint when all values equal
+
+      if (log) value = Math.log((value as number) - cs_min + 1) / Math.log(span + 1)
+      else value = ((value as number) - cs_min) / span
+      return color_scale_fn?.(value as number)
+    },
+  )
+
+  let bg_colors = $derived(
+    (
+      value: number | number[] | string | string[] | false,
+      element?: ChemicalElement,
+    ) => {
+      if (!Array.isArray(value)) return []
+
+      return value.map((v) => {
         // If it's already a color string, return it directly
-        if (is_color(v))
-            return v;
+        if (is_color(v)) return v as string
         // Otherwise, map it through the color scale
-        return bg_color(v, element);
-    });
-});
-// Determine whether to automatically show the color bar
-let should_show_color_bar = $derived.by(() => {
-    if (!show_color_bar || inset || heat_values.length === 0)
-        return false;
+        return bg_color(v as number, element)
+      })
+    },
+  )
+
+  // Determine whether to automatically show the color bar
+  let should_show_color_bar = $derived.by(() => {
+    if (!show_color_bar || inset || heat_values.length === 0) return false
+
     const num_vals = heat_values
-        .flat()
-        .filter((v) => typeof v === `number`);
-    const usable_values = log ? num_vals.filter((v) => v > 0) : num_vals;
-    return usable_values.length > 0;
-});
-// Calculate heat range for color bar
-let heat_range = $derived.by(() => {
-    if (!should_show_color_bar)
-        return [0, 1];
+      .flat()
+      .filter((v): v is number => typeof v === `number`)
+
+    const usable_values = log ? num_vals.filter((v) => v > 0) : num_vals
+
+    return usable_values.length > 0
+  })
+
+  // Calculate heat range for color bar
+  let heat_range = $derived.by((): Vec2 => {
+    if (!should_show_color_bar) return [0, 1]
+
     const numeric_values = heat_values
-        .flat()
-        .filter((v) => typeof v === `number`);
-    const usable_values = log ? numeric_values.filter((v) => v > 0) : numeric_values;
-    if (usable_values.length === 0)
-        return [0, 1];
-    const min = color_scale_range[0] ?? Math.min(...usable_values);
-    const max = color_scale_range[1] ?? Math.max(...usable_values);
-    return [min, max];
-});
+      .flat()
+      .filter((v): v is number => typeof v === `number`)
+    const usable_values = log ? numeric_values.filter((v) => v > 0) : numeric_values
+
+    if (usable_values.length === 0) return [0, 1]
+
+    const min = color_scale_range[0] ?? Math.min(...usable_values)
+    const max = color_scale_range[1] ?? Math.max(...usable_values)
+
+    return [min, max]
+  })
 </script>
 
 <svelte:window bind:innerWidth={window_width} onkeydown={handle_key} />
 
-<div {...rest} class="periodic-table-container {rest.class ?? ``}">
-  <div class="periodic-table" style:gap>
+<div {...rest} class="periodic-table {rest.class ?? ``}">
+  <div class="ptable-grid" style:gap>
     {#if should_show_color_bar}
       <TableInset class="auto-colorbar-inset">
         <ColorBar
@@ -275,11 +407,12 @@ let heat_range = $derived.by(() => {
 </div>
 
 <style>
-  .periodic-table-container {
+  .periodic-table {
     /* needed for gap: 0.3cqw; to work */
     container-type: inline-size;
+    width: 100%; /* prevent collapse in shrink-to-fit contexts (inline-size containment) */
   }
-  div.periodic-table {
+  .ptable-grid {
     display: grid;
     grid-template-columns: repeat(18, 1fr);
     position: relative;
@@ -287,13 +420,13 @@ let heat_range = $derived.by(() => {
     gap: var(--ptable-gap, 0.3cqw);
   }
   /* Auto-generated color bar inset with fluid responsive sizing using container query units */
-  div.periodic-table :global(.auto-colorbar-inset) {
+  .ptable-grid :global(.auto-colorbar-inset) {
     place-items: center;
     padding: clamp(0.3em, 1.5cqw, 1em) clamp(0.4em, 3cqw, 2em);
     --cbar-font-size: clamp(7pt, 1.8cqw, 9pt);
     --cbar-thickness: clamp(8px, 2.5cqw, 14px);
   }
-  div.periodic-table :global(.auto-colorbar-inset .colorbar) {
+  .ptable-grid :global(.auto-colorbar-inset .colorbar) {
     width: 90%;
   }
   div.spacer {