react-cheminfo 0.76.0 → 0.78.0

package/lib/osiris/core/valuation.d.ts

@@ -0,0 +1,28 @@
+/**
+ * DataWarrior's own fuzzy fitness, ported from
+ * `com.actelion.research.chem.prediction.MolecularPropertyHelper`.
+ *
+ * It is what turns a predicted number into the green-to-red ramp behind it,
+ * and it is the library's arithmetic rather than a cut-off invented here: a
+ * property inside its preferred band scores 1, and the score falls away
+ * smoothly outside it over `halfWidth`. There is no cliff anywhere, so a cLogP
+ * of 4.01 does not look categorically worse than one of 3.99.
+ */
+/**
+ * How well one value sits in a preferred band, from 0 to 1.
+ *
+ * A bound given as `null` is simply not applied, which is how a property
+ * bounded on one side only — a solubility that must be high enough, a weight
+ * that must be low enough — scores against the one bound it has. The original
+ * passes `Double.NaN` for an absent bound and `NaN` is accepted here too.
+ *
+ * The Java comment claims the fitness at `max + halfWidth` is `1/e`; the
+ * arithmetic gives `1/(1+e)`, and the arithmetic is what was ported.
+ * @param value - The predicted number.
+ * @param min - The bottom of the preferred band, or `null` when there is none.
+ * @param max - The top of the preferred band, or `null` when there is none.
+ * @param halfWidth - How far outside the band the score takes to fall away.
+ * @returns The fitness, or `NaN` when the value is `NaN`.
+ */
+export declare function getValuation(value: number, min: number | null, max: number | null, halfWidth: number): number;
+//# sourceMappingURL=valuation.d.ts.map

package/lib/osiris/core/valuation.d.ts.map

@@ -0,0 +1 @@
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package/lib/osiris/core/valuation.js

@@ -0,0 +1,39 @@
+/**
+ * DataWarrior's own fuzzy fitness, ported from
+ * `com.actelion.research.chem.prediction.MolecularPropertyHelper`.
+ *
+ * It is what turns a predicted number into the green-to-red ramp behind it,
+ * and it is the library's arithmetic rather than a cut-off invented here: a
+ * property inside its preferred band scores 1, and the score falls away
+ * smoothly outside it over `halfWidth`. There is no cliff anywhere, so a cLogP
+ * of 4.01 does not look categorically worse than one of 3.99.
+ */
+/**
+ * How well one value sits in a preferred band, from 0 to 1.
+ *
+ * A bound given as `null` is simply not applied, which is how a property
+ * bounded on one side only — a solubility that must be high enough, a weight
+ * that must be low enough — scores against the one bound it has. The original
+ * passes `Double.NaN` for an absent bound and `NaN` is accepted here too.
+ *
+ * The Java comment claims the fitness at `max + halfWidth` is `1/e`; the
+ * arithmetic gives `1/(1+e)`, and the arithmetic is what was ported.
+ * @param value - The predicted number.
+ * @param min - The bottom of the preferred band, or `null` when there is none.
+ * @param max - The top of the preferred band, or `null` when there is none.
+ * @param halfWidth - How far outside the band the score takes to fall away.
+ * @returns The fitness, or `NaN` when the value is `NaN`.
+ */
+export function getValuation(value, min, max, halfWidth) {
+    if (Number.isNaN(value))
+        return Number.NaN;
+    let v = 1;
+    if (min !== null && !Number.isNaN(min)) {
+        v *= 1 / (1 + Math.exp((min - value) / halfWidth));
+    }
+    if (max !== null && !Number.isNaN(max)) {
+        v *= 1 / (1 + Math.exp((value - max) / halfWidth));
+    }
+    return v;
+}
+//# sourceMappingURL=valuation.js.map

package/lib/osiris/core/valuation.js.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/PropertyBar.d.ts

@@ -0,0 +1,27 @@
+/**
+ * One property's bar: a track, a fill whose colour is how good the value is,
+ * and the published rule of thumb marked on it.
+ *
+ * The colour is handed to the stylesheet as a number rather than mixed here.
+ * A ramp computed in JavaScript would be a hex code in a component, which is
+ * the one thing a site of this family may not write: the green, the amber and
+ * the red are the shared status tokens, and `properties.css` mixes them.
+ *
+ * The bar carries no accessible text of its own. It draws the same number the
+ * row already prints beside it, so announcing it twice would only make the
+ * panel longer to listen to.
+ */
+import type { ReactElement } from 'react';
+import type { BarGeometry } from '../core/barGeometry.ts';
+/** What {@link PropertyBar} needs. */
+export interface PropertyBarProps {
+    /** Where the fill and the mark go, from `barGeometry`. */
+    geometry: BarGeometry;
+}
+/**
+ * Draw one property's bar.
+ * @param props - See {@link PropertyBarProps}.
+ * @returns The track, its fill and its labelled mark.
+ */
+export declare function PropertyBar(props: PropertyBarProps): ReactElement;
+//# sourceMappingURL=PropertyBar.d.ts.map

package/lib/osiris/ui/PropertyBar.d.ts.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/PropertyBar.js

@@ -0,0 +1,27 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+/**
+ * Draw one property's bar.
+ * @param props - See {@link PropertyBarProps}.
+ * @returns The track, its fill and its labelled mark.
+ */
+export function PropertyBar(props) {
+    const { geometry } = props;
+    // `--fitness` is a custom property, which React sets verbatim and
+    // `CSSProperties` has no name for; the stylesheet reads it in the `calc()`
+    // that mixes the ramp.
+    const fill = {
+        left: percent(geometry.start),
+        width: percent(geometry.length),
+        '--fitness': geometry.fitness.toFixed(4),
+    };
+    return (_jsxs("div", { className: "property-bar", "aria-hidden": "true", children: [_jsxs("div", { className: "property-bar__track", children: [geometry.origin === 0 ? null : (_jsx("div", { className: "property-bar__origin", style: { left: percent(geometry.origin) } })), _jsx("div", { className: "property-bar__fill", style: fill }), geometry.mark === null ? null : (_jsx("div", { className: "property-bar__mark", style: { left: percent(geometry.mark) } }))] }), geometry.mark === null || geometry.markLabel === null ? null : (_jsx("span", { className: "property-bar__threshold", style: { left: percent(geometry.mark) }, children: geometry.markLabel }))] }));
+}
+/**
+ * A fraction of the track, as a CSS length.
+ * @param fraction - 0 at the left end, 1 at the right.
+ * @returns The percentage, to two decimals.
+ */
+function percent(fraction) {
+    return `${(fraction * 100).toFixed(2)}%`;
+}
+//# sourceMappingURL=PropertyBar.js.map

package/lib/osiris/ui/PropertyBar.js.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/PropertyPanel.d.ts

@@ -0,0 +1,91 @@
+/**
+ * Everything OSIRIS predicts about one molecule: the four toxicity risks, then
+ * the ten numbers, in the order the original panel showed them.
+ *
+ * One panel wherever a molecule is predicted — beside an editor's canvas, for
+ * the row of a table the reader focused, beside a drawing — because a second
+ * panel would be a second place for the same ten rows to drift apart.
+ *
+ * The sections stand whether or not there is anything in them. A prediction
+ * costs a fifth of a second, and a panel that appeared only once it was ready
+ * would move the page under the reader's eye every time they drew a bond.
+ *
+ * Which explanation is open is the caller's state — it belongs to the page, and
+ * on the explorer it is what a click on a square changes — but *fetching* it is
+ * the panel's own business, so no page repeats the dance.
+ */
+import type { ReactElement, ReactNode } from 'react';
+import type { PropertyKey } from '../core/propertyKeys.ts';
+import type { OsirisProperties, RiskDetail, RiskType } from '../core/types.ts';
+/** What {@link PropertyPanel} needs. */
+export interface PropertyPanelProps {
+    /**
+     * What was predicted, or `null` when there is nothing to show yet.
+     * @default null
+     */
+    properties?: OsirisProperties | null;
+    /**
+     * The atom layout to draw the molecule with, in an explanation. Empty leaves
+     * openchemlib to invent one.
+     * @default ''
+     */
+    coordinates?: string;
+    /**
+     * Whether a prediction is running for the molecule the panel is showing.
+     * @default false
+     */
+    pending?: boolean;
+    /**
+     * What went wrong with this structure, in one sentence, or `null`.
+     * @default null
+     */
+    problem?: string | null;
+    /**
+     * Whether to open on the molecule's formula and name. Off for a host that
+     * already shows the formula beside the panel, such as a structure editor's
+     * side panel.
+     * @default true
+     */
+    head?: boolean;
+    /**
+     * Whether to draw the four risks, and the explanation a square opens. Off
+     * for a page answering a question about the numbers alone.
+     * @default true
+     */
+    risks?: boolean;
+    /**
+     * The property rows to draw, in the panel's order whatever order they are
+     * given in. Empty leaves the section out, for a page answering a question
+     * about the risks alone.
+     * @default PROPERTY_KEYS
+     */
+    rows?: readonly PropertyKey[];
+    /**
+     * What is said when there is nothing predicted and nothing running.
+     * @default 'Nothing to predict yet.'
+     */
+    emptyMessage?: ReactNode;
+    /**
+     * Which risk has its explanation open.
+     * @default null
+     */
+    openRisk?: RiskType | null;
+    /**
+     * Called with the risk to open, or `null` to close it. Without it the squares
+     * are not clickable.
+     * @default undefined
+     */
+    onOpenRisk?: (risk: RiskType | null) => void;
+    /**
+     * Why a risk came back as it did. Without it no explanation is offered.
+     * @default undefined
+     */
+    loadDetail?: (structure: string, risk: RiskType) => Promise<RiskDetail>;
+}
+/**
+ * The risks and the properties of one molecule.
+ * @param props - See {@link PropertyPanelProps}.
+ * @returns The two panels, and the open explanation between them.
+ */
+export declare function PropertyPanel(props: PropertyPanelProps): ReactElement;
+//# sourceMappingURL=PropertyPanel.d.ts.map

package/lib/osiris/ui/PropertyPanel.d.ts.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/PropertyPanel.js

@@ -0,0 +1,77 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+/**
+ * Everything OSIRIS predicts about one molecule: the four toxicity risks, then
+ * the ten numbers, in the order the original panel showed them.
+ *
+ * One panel wherever a molecule is predicted — beside an editor's canvas, for
+ * the row of a table the reader focused, beside a drawing — because a second
+ * panel would be a second place for the same ten rows to drift apart.
+ *
+ * The sections stand whether or not there is anything in them. A prediction
+ * costs a fifth of a second, and a panel that appeared only once it was ready
+ * would move the page under the reader's eye every time they drew a bond.
+ *
+ * Which explanation is open is the caller's state — it belongs to the page, and
+ * on the explorer it is what a click on a square changes — but *fetching* it is
+ * the panel's own business, so no page repeats the dance.
+ */
+import { Callout, H5 } from '@blueprintjs/core';
+import { useEffect, useState } from 'react';
+import { MF } from 'react-mf';
+import { errorMessage } from "../../error/core/toError.js";
+import { PagePart } from "../../share/ui/PagePart.js";
+import { PROPERTY_KEYS } from "../core/propertyKeys.js";
+import { PropertyRows } from "./PropertyRows.js";
+import { RiskFindings } from "./RiskFindings.js";
+import { RiskPanel } from "./RiskPanel.js";
+/**
+ * The risks and the properties of one molecule.
+ * @param props - See {@link PropertyPanelProps}.
+ * @returns The two panels, and the open explanation between them.
+ */
+export function PropertyPanel(props) {
+    const { properties = null, coordinates = '', pending = false, problem = null, head = true, risks = true, rows = PROPERTY_KEYS, emptyMessage = 'Nothing to predict yet.', openRisk = null, onOpenRisk, loadDetail, } = props;
+    const structure = properties === null
+        ? ''
+        : coordinates === ''
+            ? properties.idCode
+            : `${properties.idCode} ${coordinates}`;
+    const answer = useRiskDetail(structure, openRisk, loadDetail);
+    return (_jsxs("div", { className: "property-panel", children: [problem === null ? null : (_jsx(Callout, { intent: "warning", compact: true, children: problem })), properties === null ? (_jsx("p", { className: "osiris-note", children: pending ? 'Predicting…' : emptyMessage })) : head ? (_jsxs("header", { className: "property-panel__head", children: [_jsx(MF, { mf: properties.molecularFormula }), _jsx("span", { className: "property-panel__label", children: properties.label })] })) : null, risks ? (_jsx(PagePart, { part: "risks", children: _jsx(RiskPanel, { risks: properties?.risks ?? null, pending: pending, openRisk: openRisk, onOpenRisk: onOpenRisk }) })) : null, !risks ||
+                openRisk === null ||
+                structure === '' ||
+                loadDetail === undefined ? null : (_jsx(PagePart, { part: "detail", children: _jsx(RiskFindings, { risk: openRisk, structure: structure, detail: answer?.detail ?? null, error: answer?.error ?? null }) })), rows.length === 0 ? null : (_jsx(PagePart, { part: "properties", children: _jsxs("section", { className: "property-section", children: [_jsx(H5, { children: "Predicted properties" }), _jsx(PropertyRows, { properties: properties, keys: rows })] }) }))] }));
+}
+/**
+ * Fetch the open risk's explanation, and answer only about the request that is
+ * open now.
+ *
+ * The answer carries the request it belongs to rather than being cleared when a
+ * new one starts: clearing would mean writing state from inside the effect, and
+ * comparing keys says the same thing without the extra render.
+ * @param structure - The molecule: an idCode, with its coordinates after a space.
+ * @param openRisk - Which risk is open, or `null`.
+ * @param loadDetail - What answers the question, or `undefined` when nothing does.
+ * @returns The answer to the open request, or `null` while it is being worked out.
+ */
+function useRiskDetail(structure, openRisk, loadDetail) {
+    const key = openRisk === null || structure === '' ? '' : `${structure} ${openRisk}`;
+    const [answer, setAnswer] = useState(null);
+    useEffect(() => {
+        if (key === '' || openRisk === null || loadDetail === undefined)
+            return;
+        let live = true;
+        loadDetail(structure, openRisk).then((detail) => {
+            if (live)
+                setAnswer({ key, detail, error: null });
+        }, (error) => {
+            if (live)
+                setAnswer({ key, detail: null, error: errorMessage(error) });
+        });
+        return () => {
+            live = false;
+        };
+    }, [key, structure, openRisk, loadDetail]);
+    return answer !== null && answer.key === key ? answer : null;
+}
+//# sourceMappingURL=PropertyPanel.js.map

package/lib/osiris/ui/PropertyPanel.js.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/PropertyRows.d.ts

@@ -0,0 +1,40 @@
+/**
+ * The ten predicted numbers, one row each: a name, a bar and a value.
+ *
+ * The order is the legacy panel's — cLogP, solubility, molweight, TPSA,
+ * drug-likeness, the two hydrogen-bond counts, stereocentres, rotatable bonds,
+ * drug score — and it is `PROPERTY_KEYS`, which the comparison table's columns
+ * and the plot's default axes also read. A reader who learned the panel reads
+ * the table without relearning it.
+ *
+ * A value the predictor could not answer prints the missing marker and draws no
+ * bar. It is never zero: `DrugScoreCalculator` consumes every sentinel and
+ * hands back a plausible number, so a bar drawn from one would be a wrong
+ * answer with nothing saying it is wrong.
+ */
+import type { ReactElement } from 'react';
+import type { PropertyKey } from '../core/propertyKeys.ts';
+import type { OsirisProperties } from '../core/types.ts';
+/** What {@link PropertyRows} needs. */
+export interface PropertyRowsProps {
+    /**
+     * What was predicted, or `null` while the molecule is still being worked on —
+     * in which case every row stands with its name and no value, so nothing moves
+     * when the answer arrives.
+     * @default null
+     */
+    properties?: OsirisProperties | null;
+    /**
+     * The rows to draw. They are drawn in the panel's order whatever order they
+     * are given in, so a narrowed panel still reads as the whole one does.
+     * @default PROPERTY_KEYS
+     */
+    keys?: readonly PropertyKey[];
+}
+/**
+ * The property rows, all ten unless fewer are asked, in the panel's order.
+ * @param props - See {@link PropertyRowsProps}.
+ * @returns One row per property.
+ */
+export declare function PropertyRows(props: PropertyRowsProps): ReactElement;
+//# sourceMappingURL=PropertyRows.d.ts.map

package/lib/osiris/ui/PropertyRows.d.ts.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/PropertyRows.js

@@ -0,0 +1,23 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { MISSING_VALUE } from "../../format/core/missing.js";
+import { formatDecimal } from "../../format/core/numbers.js";
+import { barGeometry } from "../core/barGeometry.js";
+import { PROPERTY_KEYS, propertyValue } from "../core/propertyKeys.js";
+import { propertyScale } from "../core/scales.js";
+import { PropertyBar } from "./PropertyBar.js";
+/**
+ * The property rows, all ten unless fewer are asked, in the panel's order.
+ * @param props - See {@link PropertyRowsProps}.
+ * @returns One row per property.
+ */
+export function PropertyRows(props) {
+    const { properties = null, keys = PROPERTY_KEYS } = props;
+    return (_jsx("div", { className: "property-rows", children: PROPERTY_KEYS.filter((key) => keys.includes(key)).map((key) => (_jsx(PropertyRow, { propertyKey: key, value: properties === null ? null : propertyValue(properties, key) }, key))) }));
+}
+function PropertyRow(props) {
+    const { propertyKey, value } = props;
+    const scale = propertyScale(propertyKey);
+    const geometry = barGeometry(propertyKey, value);
+    return (_jsxs("div", { className: "property-row", children: [_jsxs("span", { className: "property-row__label", children: [scale.label, scale.unit === '' ? null : (_jsx("span", { className: "property-row__unit", children: scale.unit }))] }), _jsx("span", { className: "property-row__bar", children: geometry === null ? null : _jsx(PropertyBar, { geometry: geometry }) }), _jsx("span", { className: "property-row__value", children: value === null ? MISSING_VALUE : formatDecimal(value, scale.decimals) })] }));
+}
+//# sourceMappingURL=PropertyRows.js.map

package/lib/osiris/ui/PropertyRows.js.map

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package/lib/osiris/ui/RiskFindings.d.ts

@@ -0,0 +1,43 @@
+/**
+ * Why one risk came back as it did.
+ *
+ * Two branches of the predictor reach the same red square and mean different
+ * things. *This molecule is known to be mutagenic* means the compound's own
+ * idCode is in a list derived from RTECS — data on this exact compound, and
+ * nothing on the drawing to point at. *High-risk fragments indicating
+ * Mutagenicity* means a substructure matched, and that substructure is drawn
+ * beside the molecule with its atoms painted on it.
+ *
+ * Telling them apart is the whole point of opening a square: aspirin, caffeine
+ * and paracetamol are all red through the first branch, and highlighting the
+ * whole molecule there would call the compound its own toxicophore.
+ *
+ * A fragment heading is repeated on each of the fragments under it, so it is
+ * printed once and the matches follow.
+ */
+import type { ReactElement } from 'react';
+import type { RiskDetail, RiskType } from '../core/types.ts';
+/** What {@link RiskFindings} needs. */
+export interface RiskFindingsProps {
+    /** Which risk is open. */
+    risk: RiskType;
+    /** The molecule it was assessed on: the idCode, with its coordinates after a space. */
+    structure: string;
+    /**
+     * What the predictor found, or `null` while it is being worked out.
+     * @default null
+     */
+    detail?: RiskDetail | null;
+    /**
+     * Why the explanation could not be fetched, or `null`.
+     * @default null
+     */
+    error?: string | null;
+}
+/**
+ * The explanation of one risk.
+ * @param props - See {@link RiskFindingsProps}.
+ * @returns The predictor's own sentences, with every matched fragment drawn.
+ */
+export declare function RiskFindings(props: RiskFindingsProps): ReactElement;
+//# sourceMappingURL=RiskFindings.d.ts.map

package/lib/osiris/ui/RiskFindings.d.ts.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/RiskFindings.js

@@ -0,0 +1,51 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+/**
+ * Why one risk came back as it did.
+ *
+ * Two branches of the predictor reach the same red square and mean different
+ * things. *This molecule is known to be mutagenic* means the compound's own
+ * idCode is in a list derived from RTECS — data on this exact compound, and
+ * nothing on the drawing to point at. *High-risk fragments indicating
+ * Mutagenicity* means a substructure matched, and that substructure is drawn
+ * beside the molecule with its atoms painted on it.
+ *
+ * Telling them apart is the whole point of opening a square: aspirin, caffeine
+ * and paracetamol are all red through the first branch, and highlighting the
+ * whole molecule there would call the compound its own toxicophore.
+ *
+ * A fragment heading is repeated on each of the fragments under it, so it is
+ * printed once and the matches follow.
+ */
+import { Callout, Spinner } from '@blueprintjs/core';
+import { Structure } from "../../structure/ui/Structure.js";
+import { RISK_LABELS } from "../core/constants.js";
+import { KNOWN_MOLECULE_NOTE } from "../core/riskAppearance.js";
+/** How big a drawing in the explanation is, in pixels. */
+const DRAWING = { width: 190, height: 130 };
+/**
+ * The explanation of one risk.
+ * @param props - See {@link RiskFindingsProps}.
+ * @returns The predictor's own sentences, with every matched fragment drawn.
+ */
+export function RiskFindings(props) {
+    const { risk, structure, detail = null, error = null } = props;
+    if (error !== null) {
+        return _jsx(Callout, { intent: "warning", children: error });
+    }
+    if (detail === null) {
+        return (_jsxs("div", { className: "osiris-note osiris-note--working", children: [_jsx(Spinner, { size: 14 }), " Working out why ", RISK_LABELS[risk], " came back as it did."] }));
+    }
+    return (_jsx("div", { className: "risk-findings", children: detail.findings.map((finding, index) => (_jsx(Finding
+        // The predictor prints each heading once and each matching fragment
+        // once under it, so the pair names the line without an index.
+        , { finding: finding, structure: structure, heading: detail.findings[index - 1]?.description === finding.description
+                ? null
+                : finding.description }, `${finding.kind}:${finding.description}:${finding.idCode ?? ''}`))) }));
+}
+function Finding(props) {
+    const { finding, structure, heading } = props;
+    return (_jsxs("div", { className: "risk-finding", children: [heading === null ? null : (_jsx("p", { className: "risk-finding__heading", children: heading })), finding.kind === 'known' ? (_jsx("p", { className: "osiris-note", children: KNOWN_MOLECULE_NOTE })) : null, finding.idCode === null ? null : (_jsxs("div", { className: "risk-finding__drawings", children: [_jsxs("figure", { className: "risk-finding__figure", children: [_jsx(Structure, { idCode: finding.idCode, width: DRAWING.width, height: DRAWING.height }), _jsxs("figcaption", { children: [finding.severity === 'medium' ? 'Medium-risk' : 'High-risk', ' ', "fragment"] })] }), _jsxs("figure", { className: "risk-finding__figure", children: [_jsx(Structure, { idCode: structure, width: DRAWING.width, height: DRAWING.height, atomHighlight: [...finding.atoms], bondHighlight: [...finding.bonds] }), _jsx("figcaption", { children: finding.atoms.length === 0
+                                    ? 'Not located on this drawing'
+                                    : 'Where it sits on the molecule' })] })] }))] }));
+}
+//# sourceMappingURL=RiskFindings.js.map

package/lib/osiris/ui/RiskFindings.js.map

@@ -0,0 +1 @@
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package/lib/osiris/ui/RiskPanel.d.ts

@@ -0,0 +1,46 @@
+/**
+ * The four toxicity risks, and the sentence that keeps them honest.
+ *
+ * OSIRIS assesses mutagenicity, tumorigenicity, irritating effects and
+ * reproductive effects, in that order, and answers each with one of three
+ * levels — the same three the drug score multiplies by. A red square is very
+ * often the known-molecule branch rather than a matched fragment, which is why
+ * every assessed square opens its explanation.
+ *
+ * The caveat under them is the author's own, quoted rather than paraphrased: it
+ * is the sentence that stops a red square being read as a verdict, and softening
+ * it would be our words over his.
+ */
+import type { ReactElement } from 'react';
+import type { RiskLevel, RiskType } from '../core/types.ts';
+/** What {@link RiskPanel} needs. */
+export interface RiskPanelProps {
+    /**
+     * How the four came back, or `null` when none of them has been assessed.
+     * @default null
+     */
+    risks?: Record<RiskType, RiskLevel> | null;
+    /**
+     * Whether a prediction is running for the molecule the panel is showing.
+     * @default false
+     */
+    pending?: boolean;
+    /**
+     * Which risk has its explanation open.
+     * @default null
+     */
+    openRisk?: RiskType | null;
+    /**
+     * Called with the risk to open, or `null` to close the one that is open.
+     * Without it the squares are not clickable.
+     * @default undefined
+     */
+    onOpenRisk?: (risk: RiskType | null) => void;
+}
+/**
+ * The four risk squares.
+ * @param props - See {@link RiskPanelProps}.
+ * @returns The panel, with the caveat under it.
+ */
+export declare function RiskPanel(props: RiskPanelProps): ReactElement;
+//# sourceMappingURL=RiskPanel.d.ts.map

package/lib/osiris/ui/RiskPanel.d.ts.map

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package/lib/osiris/ui/RiskPanel.js

@@ -0,0 +1,32 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+/**
+ * The four toxicity risks, and the sentence that keeps them honest.
+ *
+ * OSIRIS assesses mutagenicity, tumorigenicity, irritating effects and
+ * reproductive effects, in that order, and answers each with one of three
+ * levels — the same three the drug score multiplies by. A red square is very
+ * often the known-molecule branch rather than a matched fragment, which is why
+ * every assessed square opens its explanation.
+ *
+ * The caveat under them is the author's own, quoted rather than paraphrased: it
+ * is the sentence that stops a red square being read as a verdict, and softening
+ * it would be our words over his.
+ */
+import { H5 } from '@blueprintjs/core';
+import { RISK_CAVEAT } from "../core/riskAppearance.js";
+import { RISK_TYPES } from "../core/types.js";
+import { RiskSquare } from "./RiskSquare.js";
+/**
+ * The four risk squares.
+ * @param props - See {@link RiskPanelProps}.
+ * @returns The panel, with the caveat under it.
+ */
+export function RiskPanel(props) {
+    const { risks = null, pending = false, openRisk = null, onOpenRisk } = props;
+    return (_jsxs("section", { className: "risk-panel", children: [_jsx(H5, { children: "Predicted toxicity risks" }), _jsx("div", { className: "risk-grid", children: RISK_TYPES.map((risk) => (_jsx(RiskSquare, { risk: risk, level: risks?.[risk], pending: pending, selected: openRisk === risk, onSelect: onOpenRisk === undefined
+                        ? undefined
+                        : (chosen) => {
+                            onOpenRisk(chosen === openRisk ? null : chosen);
+                        } }, risk))) }), _jsx("p", { className: "osiris-note", children: RISK_CAVEAT })] }));
+}
+//# sourceMappingURL=RiskPanel.js.map

package/lib/osiris/ui/RiskPanel.js.map

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