react-cheminfo 0.37.0 → 0.39.0

package/lib/share/ui/useShareRegionReports.js

@@ -0,0 +1,73 @@
+import { useEffect, useState } from 'react';
+import { SHARE_REGIONS_MESSAGE, isShareRegionsRequest } from "../core/index.js";
+/**
+ * Report where each part of this page sits, while a share dialog is looking at
+ * it through its preview.
+ *
+ * Nothing happens on a page nobody frames, and nothing happens in a frame
+ * whose host never asks — a page embedded in a course is framed too, and owes
+ * its host nothing.
+ * @param hidden - The parts the link switches off, so the boxes are measured again when they change.
+ * @returns Whether the page should mark its parts for the dialog to find.
+ */
+export function useShareRegionReports(hidden) {
+    const [marking, setMarking] = useState(false);
+    useEffect(() => {
+        const host = globalThis.parent;
+        if (host === globalThis.self)
+            return undefined;
+        function onMessage(event) {
+            if (isShareRegionsRequest(event.data))
+                setMarking(true);
+        }
+        globalThis.addEventListener('message', onMessage);
+        return () => {
+            globalThis.removeEventListener('message', onMessage);
+        };
+    }, []);
+    useEffect(() => {
+        if (!marking)
+            return undefined;
+        const host = globalThis.parent;
+        function report() {
+            host.postMessage({ type: SHARE_REGIONS_MESSAGE, regions: measureRegions() }, '*');
+        }
+        // A chart, a web font or a structure drawn after mount all move the boxes,
+        // so the page is measured again whenever anything in it resizes rather
+        // than once, on a deadline it would lose.
+        const observer = new ResizeObserver(report);
+        observer.observe(document.documentElement);
+        globalThis.addEventListener('resize', report);
+        report();
+        return () => {
+            observer.disconnect();
+            globalThis.removeEventListener('resize', report);
+        };
+    }, [marking, hidden]);
+    return marking;
+}
+function measureRegions() {
+    const markers = document.querySelectorAll('[data-share-part]');
+    const range = document.createRange();
+    const regions = [];
+    for (const marker of markers) {
+        const { sharePart: part } = marker.dataset;
+        if (part === undefined)
+            continue;
+        // The marker lays out as `display: contents`, so it has no box of its own.
+        // A range over what it holds has the box its contents occupy.
+        range.selectNodeContents(marker);
+        const box = range.getBoundingClientRect();
+        if (box.width === 0 || box.height === 0)
+            continue;
+        regions.push({
+            part,
+            x: box.x + globalThis.scrollX,
+            y: box.y + globalThis.scrollY,
+            width: box.width,
+            height: box.height,
+        });
+    }
+    return regions;
+}
+//# sourceMappingURL=useShareRegionReports.js.map

package/lib/share/ui/useShareRegionReports.js.map

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package/lib/shared/ui/ActionTooltip.d.ts

@@ -0,0 +1,42 @@
+import type { Placement } from '@blueprintjs/core';
+import type { ReactElement } from 'react';
+/** What {@link ActionTooltip} explains, and what it steps aside for. */
+export interface ActionTooltipProps {
+    /** What the control is for, read on hover. */
+    content: string | ReactElement;
+    /** The control. */
+    children: ReactElement;
+    /**
+     * Whether what the control opens is on screen. While it is, the tooltip
+     * stays shut.
+     * @default false
+     */
+    opened?: boolean;
+    /**
+     * Which side of the control the tooltip is drawn on.
+     * @default 'bottom'
+     */
+    placement?: Placement;
+    /**
+     * Class the popover carries, for a card that is not the chrome's own.
+     * @default 'help-tooltip'
+     */
+    popoverClassName?: string;
+    /**
+     * How long the pointer rests on the control before the card is drawn, in
+     * milliseconds.
+     * @default 250
+     */
+    delay?: number;
+}
+/**
+ * A tooltip on a control that opens something — a dialog, a popover, a menu.
+ *
+ * It is the wrapper form of {@link useActionTooltip}, which is where the whole
+ * argument is written; a tooltip whose target cannot take a wrapping element —
+ * a menu item, a table cell — uses the hook directly.
+ * @param props - See {@link ActionTooltipProps}.
+ * @returns The control, with its tooltip.
+ */
+export declare function ActionTooltip(props: ActionTooltipProps): ReactElement;
+//# sourceMappingURL=ActionTooltip.d.ts.map

package/lib/shared/ui/ActionTooltip.d.ts.map

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package/lib/shared/ui/ActionTooltip.js

@@ -0,0 +1,21 @@
+import { jsx as _jsx } from "react/jsx-runtime";
+import { Tooltip } from '@blueprintjs/core';
+import { useActionTooltip } from "./useActionTooltip.js";
+/**
+ * A tooltip on a control that opens something — a dialog, a popover, a menu.
+ *
+ * It is the wrapper form of {@link useActionTooltip}, which is where the whole
+ * argument is written; a tooltip whose target cannot take a wrapping element —
+ * a menu item, a table cell — uses the hook directly.
+ * @param props - See {@link ActionTooltipProps}.
+ * @returns The control, with its tooltip.
+ */
+export function ActionTooltip(props) {
+    const { content, children, opened = false } = props;
+    const { placement = 'bottom', popoverClassName = 'help-tooltip' } = props;
+    const { delay } = props;
+    const { isOpen, target } = useActionTooltip(opened, delay);
+    return (_jsx(Tooltip, { content: content, placement: placement, popoverClassName: popoverClassName, isOpen: isOpen, children: _jsx("span", { style: WRAP_STYLE, ...target, children: children }) }));
+}
+const WRAP_STYLE = { display: 'inline-flex' };
+//# sourceMappingURL=ActionTooltip.js.map

package/lib/shared/ui/ActionTooltip.js.map

@@ -0,0 +1 @@
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package/lib/shared/ui/index.d.ts

@@ -1,3 +1,7 @@
+export type { ActionTooltipProps } from './ActionTooltip.tsx';
+export { ActionTooltip } from './ActionTooltip.tsx';
 export type { HeaderButtonProps, MenuButtonProps } from './MenuButton.tsx';
 export { MenuButton } from './MenuButton.tsx';
+export type { ActionTooltipState, ActionTooltipTarget, } from './useActionTooltip.ts';
+export { ACTION_TOOLTIP_DELAY, useActionTooltip } from './useActionTooltip.ts';
 //# sourceMappingURL=index.d.ts.map

package/lib/shared/ui/index.d.ts.map

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package/lib/shared/ui/index.js

@@ -1,2 +1,4 @@
+export { ActionTooltip } from "./ActionTooltip.js";
 export { MenuButton } from "./MenuButton.js";
+export { ACTION_TOOLTIP_DELAY, useActionTooltip } from "./useActionTooltip.js";
 //# sourceMappingURL=index.js.map

package/lib/shared/ui/index.js.map

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package/lib/shared/ui/useActionTooltip.d.ts

@@ -0,0 +1,48 @@
+/**
+ * When a tooltip on a control that is pressed should be on screen.
+ *
+ * Such a control is where a hover tooltip goes wrong, in two ways that look
+ * like one. What it opens lands over the control, so the `mouseleave` that
+ * would close the card is never delivered and the card is left on screen, over
+ * the thing it was explaining. And the open is *scheduled*: a press within the
+ * hover delay cancels nothing, so the card appears after the press, outlives
+ * what was opened, and comes back when it is closed — with the pointer long
+ * gone.
+ *
+ * Blueprint's own hover handling cannot be told either of those, so the state
+ * is held here and Blueprint is told only when to draw.
+ *
+ * The card is a pointer affordance only, and deliberately does not open on
+ * focus: what a control opens hands the focus back as it closes, which would
+ * put the card on screen with the pointer long gone. Nothing is lost by it —
+ * the control carries the same words as its accessible name, which is what a
+ * screen reader reads.
+ */
+/** The handlers the target carries, which decide when the card is drawn. */
+export interface ActionTooltipTarget {
+    onPointerEnter: () => void;
+    onPointerLeave: () => void;
+    onPointerDownCapture: () => void;
+    onClickCapture: () => void;
+    onBlurCapture: () => void;
+}
+/** Whether the card is drawn, and what decides it. */
+export interface ActionTooltipState {
+    /** What to give the tooltip as `isOpen`. */
+    isOpen: boolean;
+    /** What to give the target, or the element wrapping it. */
+    target: ActionTooltipTarget;
+}
+/** Long enough that sweeping the pointer across a row of controls opens none. */
+export declare const ACTION_TOOLTIP_DELAY = 250;
+/**
+ * Hold a tooltip's hover, so a press closes it and nothing reopens it until
+ * the pointer leaves the control and comes back.
+ * @param opened - Whether what the control opens is on screen; while it is,
+ * the card stays shut.
+ * @param delay - How long the pointer rests before the card is drawn, in
+ * milliseconds. A card heavier than a line of text asks for longer.
+ * @returns Whether to draw the card, and the handlers that decide it.
+ */
+export declare function useActionTooltip(opened?: boolean, delay?: number): ActionTooltipState;
+//# sourceMappingURL=useActionTooltip.d.ts.map

package/lib/shared/ui/useActionTooltip.d.ts.map

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package/lib/shared/ui/useActionTooltip.js

@@ -0,0 +1,78 @@
+/**
+ * When a tooltip on a control that is pressed should be on screen.
+ *
+ * Such a control is where a hover tooltip goes wrong, in two ways that look
+ * like one. What it opens lands over the control, so the `mouseleave` that
+ * would close the card is never delivered and the card is left on screen, over
+ * the thing it was explaining. And the open is *scheduled*: a press within the
+ * hover delay cancels nothing, so the card appears after the press, outlives
+ * what was opened, and comes back when it is closed — with the pointer long
+ * gone.
+ *
+ * Blueprint's own hover handling cannot be told either of those, so the state
+ * is held here and Blueprint is told only when to draw.
+ *
+ * The card is a pointer affordance only, and deliberately does not open on
+ * focus: what a control opens hands the focus back as it closes, which would
+ * put the card on screen with the pointer long gone. Nothing is lost by it —
+ * the control carries the same words as its accessible name, which is what a
+ * screen reader reads.
+ */
+import { useEffect, useRef, useState } from 'react';
+/** Long enough that sweeping the pointer across a row of controls opens none. */
+export const ACTION_TOOLTIP_DELAY = 250;
+/**
+ * Hold a tooltip's hover, so a press closes it and nothing reopens it until
+ * the pointer leaves the control and comes back.
+ * @param opened - Whether what the control opens is on screen; while it is,
+ * the card stays shut.
+ * @param delay - How long the pointer rests before the card is drawn, in
+ * milliseconds. A card heavier than a line of text asks for longer.
+ * @returns Whether to draw the card, and the handlers that decide it.
+ */
+export function useActionTooltip(opened = false, delay = ACTION_TOOLTIP_DELAY) {
+    const [shown, setShown] = useState(false);
+    const waiting = useRef(null);
+    // Set by the press, and cleared only by the pointer actually leaving. It is
+    // what the pointer never leaving looks like: the dialog lands over the
+    // control, and removing it again makes the browser hand the control a fresh
+    // `pointerenter` — with the pointer never having moved. Clearing the latch
+    // there, or on the focus the dialog gives back as it closes, is what made
+    // the card reappear the moment the dialog was dismissed.
+    const pressed = useRef(false);
+    function cancel() {
+        if (waiting.current !== null)
+            clearTimeout(waiting.current);
+        waiting.current = null;
+    }
+    function hide() {
+        cancel();
+        setShown(false);
+    }
+    function press() {
+        pressed.current = true;
+        hide();
+    }
+    useEffect(() => cancel, []);
+    return {
+        isOpen: shown && !opened,
+        target: {
+            onPointerEnter: () => {
+                if (pressed.current)
+                    return;
+                cancel();
+                waiting.current = setTimeout(() => setShown(true), delay);
+            },
+            onPointerLeave: () => {
+                pressed.current = false;
+                hide();
+            },
+            onPointerDownCapture: press,
+            // Enter and Space fire no pointer event, so a control worked from the
+            // keyboard is let go of here instead.
+            onClickCapture: press,
+            onBlurCapture: hide,
+        },
+    };
+}
+//# sourceMappingURL=useActionTooltip.js.map

package/lib/shared/ui/useActionTooltip.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"useActionTooltip.js","sourceRoot":"","sources":["../../../src/shared/ui/useActionTooltip.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;;;GAmBG;AAEH,OAAO,EAAE,SAAS,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,OAAO,CAAC;AAmBpD,iFAAiF;AACjF,MAAM,CAAC,MAAM,oBAAoB,GAAG,GAAG,CAAC;AAExC;;;;;;;;GAQG;AACH,MAAM,UAAU,gBAAgB,CAC9B,MAAM,GAAG,KAAK,EACd,KAAK,GAAG,oBAAoB;IAE5B,MAAM,CAAC,KAAK,EAAE,QAAQ,CAAC,GAAG,QAAQ,CAAC,KAAK,CAAC,CAAC;IAC1C,MAAM,OAAO,GAAG,MAAM,CAAuC,IAAI,CAAC,CAAC;IACnE,4EAA4E;IAC5E,uEAAuE;IACvE,4EAA4E;IAC5E,2EAA2E;IAC3E,0EAA0E;IAC1E,yDAAyD;IACzD,MAAM,OAAO,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC;IAE9B,SAAS,MAAM;QACb,IAAI,OAAO,CAAC,OAAO,KAAK,IAAI;YAAE,YAAY,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;QAC5D,OAAO,CAAC,OAAO,GAAG,IAAI,CAAC;IACzB,CAAC;IAED,SAAS,IAAI;QACX,MAAM,EAAE,CAAC;QACT,QAAQ,CAAC,KAAK,CAAC,CAAC;IAClB,CAAC;IAED,SAAS,KAAK;QACZ,OAAO,CAAC,OAAO,GAAG,IAAI,CAAC;QACvB,IAAI,EAAE,CAAC;IACT,CAAC;IAED,SAAS,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC;IAE5B,OAAO;QACL,MAAM,EAAE,KAAK,IAAI,CAAC,MAAM;QACxB,MAAM,EAAE;YACN,cAAc,EAAE,GAAG,EAAE;gBACnB,IAAI,OAAO,CAAC,OAAO;oBAAE,OAAO;gBAC5B,MAAM,EAAE,CAAC;gBACT,OAAO,CAAC,OAAO,GAAG,UAAU,CAAC,GAAG,EAAE,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,KAAK,CAAC,CAAC;YAC5D,CAAC;YACD,cAAc,EAAE,GAAG,EAAE;gBACnB,OAAO,CAAC,OAAO,GAAG,KAAK,CAAC;gBACxB,IAAI,EAAE,CAAC;YACT,CAAC;YACD,oBAAoB,EAAE,KAAK;YAC3B,sEAAsE;YACtE,sCAAsC;YACtC,cAAc,EAAE,KAAK;YACrB,aAAa,EAAE,IAAI;SACpB;KACF,CAAC;AACJ,CAAC"}

package/lib/structure/core/index.d.ts

@@ -24,6 +24,8 @@ export type { ReadStructureResult, StructureKind } from './readStructure.ts';
 export { looksLikeSmarts, readStructure } from './readStructure.ts';
 export type { StructureError } from './structureError.ts';
 export { structureError } from './structureError.ts';
+export type { StructurePicture, StructurePictureOptions, } from './structurePicture.ts';
+export { STRUCTURE_BOND_LENGTH, structurePicture } from './structurePicture.ts';
 export type { StructureSource, StructureSourceInput, } from './structureSource.ts';
 export { structureSource } from './structureSource.ts';
 //# sourceMappingURL=index.d.ts.map

package/lib/structure/core/index.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/structure/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,kBAAkB,EAAE,gBAAgB,EAAE,MAAM,iBAAiB,CAAC;AAC5E,OAAO,EAAE,eAAe,EAAE,eAAe,EAAE,MAAM,iBAAiB,CAAC;AACnE,OAAO,EACL,YAAY,EACZ,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,GAChB,MAAM,yBAAyB,CAAC;AACjC,YAAY,EACV,YAAY,EACZ,sBAAsB,GACvB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EACL,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,sBAAsB,CAAC;AAC9B,YAAY,EACV,aAAa,EACb,cAAc,EACd,eAAe,EACf,kBAAkB,EAClB,gBAAgB,EAChB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAC1B,OAAO,EACL,qBAAqB,EACrB,sBAAsB,EACtB,mBAAmB,EACnB,cAAc,GACf,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EACV,yBAAyB,EACzB,mBAAmB,GACpB,MAAM,oBAAoB,CAAC;AAC5B,OAAO,EACL,sBAAsB,EACtB,8BAA8B,GAC/B,MAAM,oBAAoB,CAAC;AAC5B,YAAY,EAAE,sBAAsB,EAAE,MAAM,4BAA4B,CAAC;AACzE,OAAO,EACL,sBAAsB,EACtB,mBAAmB,EACnB,qBAAqB,EACrB,sBAAsB,GACvB,MAAM,4BAA4B,CAAC;AACpC,YAAY,EAAE,UAAU,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAChE,YAAY,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AACpD,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAChF,YAAY,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACxD,OAAO,EAAE,aAAa,EAAE,iBAAiB,EAAE,MAAM,oBAAoB,CAAC;AACtE,YAAY,EACV,eAAe,EACf,iBAAiB,EACjB,eAAe,EACf,cAAc,GACf,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EACL,WAAW,EACX,qBAAqB,EACrB,uBAAuB,GACxB,MAAM,0BAA0B,CAAC;AAClC,YAAY,EAAE,qBAAqB,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAC1E,OAAO,EACL,eAAe,EACf,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,cAAc,CAAC;AACtB,YAAY,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACxD,OAAO,EAAE,iBAAiB,EAAE,eAAe,EAAE,MAAM,oBAAoB,CAAC;AACxE,YAAY,EAAE,mBAAmB,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AAC7E,OAAO,EAAE,eAAe,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACpE,YAAY,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAC1D,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,YAAY,EACV,eAAe,EACf,oBAAoB,GACrB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC"}
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/structure/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,kBAAkB,EAAE,gBAAgB,EAAE,MAAM,iBAAiB,CAAC;AAC5E,OAAO,EAAE,eAAe,EAAE,eAAe,EAAE,MAAM,iBAAiB,CAAC;AACnE,OAAO,EACL,YAAY,EACZ,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,GAChB,MAAM,yBAAyB,CAAC;AACjC,YAAY,EACV,YAAY,EACZ,sBAAsB,GACvB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EACL,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,sBAAsB,CAAC;AAC9B,YAAY,EACV,aAAa,EACb,cAAc,EACd,eAAe,EACf,kBAAkB,EAClB,gBAAgB,EAChB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAC1B,OAAO,EACL,qBAAqB,EACrB,sBAAsB,EACtB,mBAAmB,EACnB,cAAc,GACf,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EACV,yBAAyB,EACzB,mBAAmB,GACpB,MAAM,oBAAoB,CAAC;AAC5B,OAAO,EACL,sBAAsB,EACtB,8BAA8B,GAC/B,MAAM,oBAAoB,CAAC;AAC5B,YAAY,EAAE,sBAAsB,EAAE,MAAM,4BAA4B,CAAC;AACzE,OAAO,EACL,sBAAsB,EACtB,mBAAmB,EACnB,qBAAqB,EACrB,sBAAsB,GACvB,MAAM,4BAA4B,CAAC;AACpC,YAAY,EAAE,UAAU,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAChE,YAAY,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AACpD,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAChF,YAAY,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACxD,OAAO,EAAE,aAAa,EAAE,iBAAiB,EAAE,MAAM,oBAAoB,CAAC;AACtE,YAAY,EACV,eAAe,EACf,iBAAiB,EACjB,eAAe,EACf,cAAc,GACf,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EACL,WAAW,EACX,qBAAqB,EACrB,uBAAuB,GACxB,MAAM,0BAA0B,CAAC;AAClC,YAAY,EAAE,qBAAqB,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAC1E,OAAO,EACL,eAAe,EACf,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,cAAc,CAAC;AACtB,YAAY,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACxD,OAAO,EAAE,iBAAiB,EAAE,eAAe,EAAE,MAAM,oBAAoB,CAAC;AACxE,YAAY,EAAE,mBAAmB,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AAC7E,OAAO,EAAE,eAAe,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AACpE,YAAY,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAC1D,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,YAAY,EACV,gBAAgB,EAChB,uBAAuB,GACxB,MAAM,uBAAuB,CAAC;AAC/B,OAAO,EAAE,qBAAqB,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAChF,YAAY,EACV,eAAe,EACf,oBAAoB,GACrB,MAAM,sBAAsB,CAAC;AAC9B,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC"}

package/lib/structure/core/index.js

@@ -11,5 +11,6 @@ export { classifyMolfile, looksLikeMolfile, molfileAtomCount, } from "./molfile.
 export { readMolfileExport, toMolfileExport } from "./molfileExport.js";
 export { looksLikeSmarts, readStructure } from "./readStructure.js";
 export { structureError } from "./structureError.js";
+export { STRUCTURE_BOND_LENGTH, structurePicture } from "./structurePicture.js";
 export { structureSource } from "./structureSource.js";
 //# sourceMappingURL=index.js.map

package/lib/structure/core/index.js.map

@@ -1 +1 @@
-{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/structure/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,eAAe,EAAE,eAAe,EAAE,MAAM,iBAAiB,CAAC;AACnE,OAAO,EACL,YAAY,EACZ,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,GAChB,MAAM,yBAAyB,CAAC;AAKjC,OAAO,EACL,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,sBAAsB,CAAC;AAS9B,OAAO,EACL,qBAAqB,EACrB,sBAAsB,EACtB,mBAAmB,EACnB,cAAc,GACf,MAAM,kBAAkB,CAAC;AAK1B,OAAO,EACL,sBAAsB,EACtB,8BAA8B,GAC/B,MAAM,oBAAoB,CAAC;AAE5B,OAAO,EACL,sBAAsB,EACtB,mBAAmB,EACnB,qBAAqB,EACrB,sBAAsB,GACvB,MAAM,4BAA4B,CAAC;AAGpC,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAEhF,OAAO,EAAE,aAAa,EAAE,iBAAiB,EAAE,MAAM,oBAAoB,CAAC;AAOtE,OAAO,EACL,WAAW,EACX,qBAAqB,EACrB,uBAAuB,GACxB,MAAM,0BAA0B,CAAC;AAElC,OAAO,EACL,eAAe,EACf,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,cAAc,CAAC;AAEtB,OAAO,EAAE,iBAAiB,EAAE,eAAe,EAAE,MAAM,oBAAoB,CAAC;AAExE,OAAO,EAAE,eAAe,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AAEpE,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAKrD,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC"}
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/structure/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,eAAe,EAAE,eAAe,EAAE,MAAM,iBAAiB,CAAC;AACnE,OAAO,EACL,YAAY,EACZ,gBAAgB,EAChB,mBAAmB,EACnB,eAAe,GAChB,MAAM,yBAAyB,CAAC;AAKjC,OAAO,EACL,WAAW,EACX,gBAAgB,EAChB,aAAa,GACd,MAAM,sBAAsB,CAAC;AAS9B,OAAO,EACL,qBAAqB,EACrB,sBAAsB,EACtB,mBAAmB,EACnB,cAAc,GACf,MAAM,kBAAkB,CAAC;AAK1B,OAAO,EACL,sBAAsB,EACtB,8BAA8B,GAC/B,MAAM,oBAAoB,CAAC;AAE5B,OAAO,EACL,sBAAsB,EACtB,mBAAmB,EACnB,qBAAqB,EACrB,sBAAsB,GACvB,MAAM,4BAA4B,CAAC;AAGpC,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAEhF,OAAO,EAAE,aAAa,EAAE,iBAAiB,EAAE,MAAM,oBAAoB,CAAC;AAOtE,OAAO,EACL,WAAW,EACX,qBAAqB,EACrB,uBAAuB,GACxB,MAAM,0BAA0B,CAAC;AAElC,OAAO,EACL,eAAe,EACf,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,cAAc,CAAC;AAEtB,OAAO,EAAE,iBAAiB,EAAE,eAAe,EAAE,MAAM,oBAAoB,CAAC;AAExE,OAAO,EAAE,eAAe,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AAEpE,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAKrD,OAAO,EAAE,qBAAqB,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAKhF,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC"}

package/lib/structure/core/sourceMolecule.d.ts

@@ -0,0 +1,18 @@
+/**
+ * Read the notation a depiction was handed into the molecule it draws.
+ *
+ * **Not exported from `core/index.ts`**: it value-imports `openchemlib`, so a
+ * barrel carrying it would pull the whole library into every site that imports
+ * `react-cheminfo/core`. The depiction and the export dialog both load it
+ * lazily, which is where openchemlib already is.
+ */
+import { Molecule } from 'openchemlib';
+import type { StructureSource } from './structureSource.ts';
+/**
+ * Parse one picked notation.
+ * @param source - The notation, as `structureSource` picked it.
+ * @returns The molecule, which holds no atom for an empty source.
+ * @throws {Error} Whatever OpenChemLib throws on a notation it cannot read.
+ */
+export declare function sourceMolecule(source: StructureSource): Molecule;
+//# sourceMappingURL=sourceMolecule.d.ts.map

package/lib/structure/core/sourceMolecule.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"sourceMolecule.d.ts","sourceRoot":"","sources":["../../../src/structure/core/sourceMolecule.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,QAAQ,EAAE,MAAM,aAAa,CAAC;AAEvC,OAAO,KAAK,EAAE,eAAe,EAAE,MAAM,sBAAsB,CAAC;AAE5D;;;;;GAKG;AACH,wBAAgB,cAAc,CAAC,MAAM,EAAE,eAAe,GAAG,QAAQ,CAMhE"}

package/lib/structure/core/sourceMolecule.js

@@ -0,0 +1,26 @@
+/**
+ * Read the notation a depiction was handed into the molecule it draws.
+ *
+ * **Not exported from `core/index.ts`**: it value-imports `openchemlib`, so a
+ * barrel carrying it would pull the whole library into every site that imports
+ * `react-cheminfo/core`. The depiction and the export dialog both load it
+ * lazily, which is where openchemlib already is.
+ */
+import { Molecule } from 'openchemlib';
+/**
+ * Parse one picked notation.
+ * @param source - The notation, as `structureSource` picked it.
+ * @returns The molecule, which holds no atom for an empty source.
+ * @throws {Error} Whatever OpenChemLib throws on a notation it cannot read.
+ */
+export function sourceMolecule(source) {
+    const { kind, value, coordinates } = source;
+    if (kind === 'idcode')
+        return Molecule.fromIDCode(value, coordinates);
+    if (kind === 'molfile')
+        return Molecule.fromMolfile(value);
+    if (kind === 'smiles')
+        return Molecule.fromSmiles(value);
+    return new Molecule(0, 0);
+}
+//# sourceMappingURL=sourceMolecule.js.map

package/lib/structure/core/sourceMolecule.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"sourceMolecule.js","sourceRoot":"","sources":["../../../src/structure/core/sourceMolecule.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,QAAQ,EAAE,MAAM,aAAa,CAAC;AAIvC;;;;;GAKG;AACH,MAAM,UAAU,cAAc,CAAC,MAAuB;IACpD,MAAM,EAAE,IAAI,EAAE,KAAK,EAAE,WAAW,EAAE,GAAG,MAAM,CAAC;IAC5C,IAAI,IAAI,KAAK,QAAQ;QAAE,OAAO,QAAQ,CAAC,UAAU,CAAC,KAAK,EAAE,WAAW,CAAC,CAAC;IACtE,IAAI,IAAI,KAAK,SAAS;QAAE,OAAO,QAAQ,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC;IAC3D,IAAI,IAAI,KAAK,QAAQ;QAAE,OAAO,QAAQ,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC;IACzD,OAAO,IAAI,QAAQ,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;AAC5B,CAAC"}

package/lib/structure/core/structureNotations.d.ts

@@ -0,0 +1,57 @@
+/**
+ * Every way this package writes a drawn structure out.
+ *
+ * **Not exported from `core/index.ts`, and it must not be.** It is the one
+ * structure module that value-imports `openchemlib`, because the canonical
+ * forms below are `CanonizerUtil`'s and nothing on `Molecule` reaches them, so
+ * a barrel carrying it would pull openchemlib into every site that imports
+ * `react-cheminfo/core` for a formatter. The export dialog loads it lazily
+ * instead, next to the editor that already has openchemlib.
+ */
+import type { Molecule } from 'openchemlib';
+/** The notations offered, in the order they are offered in. */
+export type StructureNotationKind = 'smiles' | 'molfileV3000' | 'molfileV2000' | 'idCode' | 'noStereoIdCode' | 'noStereoTautomerIdCode';
+/** How a notation leaves the page as a file. */
+export interface StructureNotationFile {
+    /** Added to the structure's own name, so two molfiles do not collide. */
+    suffix: string;
+    /** The extension, without its dot. */
+    extension: string;
+    /** What the file holds, so the system opens it with the right application. */
+    mimeType: string;
+}
+/** One way of writing a structure. */
+export interface StructureNotation {
+    /** Which notation it is. */
+    kind: StructureNotationKind;
+    /** The notation itself, empty when OpenChemLib would not write it. */
+    value: string;
+    /**
+     * Whether it is one of the canonical identifiers — a string that names the
+     * molecule rather than describes the drawing, and that a record is looked up
+     * by. They answer a database question rather than a drawing one, so they are
+     * shown apart from the rest.
+     */
+    canonical: boolean;
+    /**
+     * The file it is saved as. Absent for a notation that is only ever copied.
+     * @default undefined
+     */
+    file?: StructureNotationFile;
+    /**
+     * Whether it runs over several lines, so it is shown as a block rather than
+     * on the label's own line.
+     */
+    block: boolean;
+}
+/**
+ * Write a structure every way the export dialog offers.
+ *
+ * A notation OpenChemLib refuses — a query fragment has no SMILES, a generic
+ * tautomer cannot always be canonized — comes back empty rather than taking
+ * the rest of the list down with it.
+ * @param molecule - The structure, as the editor handed it over. Not modified.
+ * @returns One entry per notation, in the order they are shown.
+ */
+export declare function structureNotations(molecule: Molecule): StructureNotation[];
+//# sourceMappingURL=structureNotations.d.ts.map

package/lib/structure/core/structureNotations.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"structureNotations.d.ts","sourceRoot":"","sources":["../../../src/structure/core/structureNotations.ts"],"names":[],"mappings":"AAAA;;;;;;;;;GASG;AAEH,OAAO,KAAK,EAAE,QAAQ,EAAE,MAAM,aAAa,CAAC;AAG5C,+DAA+D;AAC/D,MAAM,MAAM,qBAAqB,GAC7B,QAAQ,GACR,cAAc,GACd,cAAc,GACd,QAAQ,GACR,gBAAgB,GAChB,wBAAwB,CAAC;AAE7B,gDAAgD;AAChD,MAAM,WAAW,qBAAqB;IACpC,yEAAyE;IACzE,MAAM,EAAE,MAAM,CAAC;IACf,sCAAsC;IACtC,SAAS,EAAE,MAAM,CAAC;IAClB,8EAA8E;IAC9E,QAAQ,EAAE,MAAM,CAAC;CAClB;AAED,sCAAsC;AACtC,MAAM,WAAW,iBAAiB;IAChC,4BAA4B;IAC5B,IAAI,EAAE,qBAAqB,CAAC;IAC5B,sEAAsE;IACtE,KAAK,EAAE,MAAM,CAAC;IACd;;;;;OAKG;IACH,SAAS,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,IAAI,CAAC,EAAE,qBAAqB,CAAC;IAC7B;;;OAGG;IACH,KAAK,EAAE,OAAO,CAAC;CAChB;AAKD;;;;;;;;GAQG;AACH,wBAAgB,kBAAkB,CAAC,QAAQ,EAAE,QAAQ,GAAG,iBAAiB,EAAE,CAyC1E"}

package/lib/structure/core/structureNotations.js

@@ -0,0 +1,74 @@
+/**
+ * Every way this package writes a drawn structure out.
+ *
+ * **Not exported from `core/index.ts`, and it must not be.** It is the one
+ * structure module that value-imports `openchemlib`, because the canonical
+ * forms below are `CanonizerUtil`'s and nothing on `Molecule` reaches them, so
+ * a barrel carrying it would pull openchemlib into every site that imports
+ * `react-cheminfo/core` for a formatter. The export dialog loads it lazily
+ * instead, next to the editor that already has openchemlib.
+ */
+import { CanonizerUtil } from 'openchemlib';
+/** What a molfile is, for the application that opens one. */
+const MOLFILE_TYPE = 'chemical/x-mdl-molfile';
+/**
+ * Write a structure every way the export dialog offers.
+ *
+ * A notation OpenChemLib refuses — a query fragment has no SMILES, a generic
+ * tautomer cannot always be canonized — comes back empty rather than taking
+ * the rest of the list down with it.
+ * @param molecule - The structure, as the editor handed it over. Not modified.
+ * @returns One entry per notation, in the order they are shown.
+ */
+export function structureNotations(molecule) {
+    const idCode = written(() => molecule.getIDCode());
+    return [
+        {
+            kind: 'smiles',
+            value: written(() => molecule.toIsomericSmiles()),
+            canonical: false,
+            block: false,
+        },
+        {
+            kind: 'molfileV3000',
+            value: written(() => molecule.toMolfileV3()),
+            canonical: false,
+            file: { suffix: '-v3000', extension: 'mol', mimeType: MOLFILE_TYPE },
+            block: true,
+        },
+        {
+            kind: 'molfileV2000',
+            value: written(() => molecule.toMolfile()),
+            canonical: false,
+            file: { suffix: '-v2000', extension: 'mol', mimeType: MOLFILE_TYPE },
+            block: true,
+        },
+        { kind: 'idCode', value: idCode, canonical: true, block: false },
+        {
+            kind: 'noStereoIdCode',
+            value: written(() => CanonizerUtil.getIDCode(molecule, CanonizerUtil.NOSTEREO)),
+            canonical: true,
+            block: false,
+        },
+        {
+            kind: 'noStereoTautomerIdCode',
+            value: written(() => CanonizerUtil.getIDCode(molecule, CanonizerUtil.NOSTEREO_TAUTOMER)),
+            canonical: true,
+            block: false,
+        },
+    ];
+}
+/**
+ * One notation, or nothing when OpenChemLib will not write it.
+ * @param write - What writes it.
+ * @returns The notation, empty on a refusal.
+ */
+function written(write) {
+    try {
+        return write();
+    }
+    catch {
+        return '';
+    }
+}
+//# sourceMappingURL=structureNotations.js.map

package/lib/structure/core/structureNotations.js.map

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package/lib/structure/core/structurePicture.d.ts

@@ -0,0 +1,49 @@
+/**
+ * A structure as a picture, drawn at the size it is saved at.
+ *
+ * The resolution is a bond length rather than a canvas: OpenChemLib caps the
+ * bond it draws at 24 pixels whatever box it is given, so asking for a canvas
+ * four times larger produces the same small drawing with more white around it
+ * — a resolution control that changes the file and not the picture. Lifting
+ * the cap and cropping to the structure is what makes `4×` genuinely four
+ * times the drawing.
+ */
+import type { Molecule } from 'openchemlib';
+import type { FigurePixels } from '../../download/core/figureScale.ts';
+/** How the picture is drawn. */
+export interface StructurePictureOptions {
+    /**
+     * The longest bond drawn, in pixels, which is what sets the size of
+     * everything else — the picture is cropped to the structure afterwards.
+     * @default 60
+     */
+    bondLength?: number;
+    /**
+     * What is painted behind the structure. An SVG left unpainted opens
+     * transparent, and a structure is drawn in black, so it disappears in
+     * anything with a dark background — a slide, a reader in dark mode.
+     * @default '#ffffff'
+     */
+    background?: string;
+}
+/** A structure drawn, and how big it came out. */
+export interface StructurePicture extends FigurePixels {
+    /** The SVG document, ready to be saved or rasterized. */
+    markup: string;
+}
+/**
+ * The bond length a picture is drawn at before the resolution multiplies it.
+ *
+ * Chosen so a drug-sized molecule comes out around 300 pixels wide, which is
+ * what a note or a chat window wants; two or three times that is a slide, and
+ * four is print.
+ */
+export declare const STRUCTURE_BOND_LENGTH = 60;
+/**
+ * Draw a structure as a standalone SVG document, cropped to the structure.
+ * @param molecule - The structure. Not modified.
+ * @param options - How large to draw it, and what to paint behind it.
+ * @returns The document and the size it came out at.
+ */
+export declare function structurePicture(molecule: Molecule, options?: StructurePictureOptions): StructurePicture;
+//# sourceMappingURL=structurePicture.d.ts.map

package/lib/structure/core/structurePicture.d.ts.map

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