react-cheminfo 0.28.0 → 0.29.0

package/lib/ir/core/irReducer.js

@@ -0,0 +1,207 @@
+/**
+ * Every change the viewer can undergo, as one function over one object.
+ *
+ * A reducer rather than a graph of signals, for the reason
+ * `docs/decisions.md` gives about the glycan editor: a published component must
+ * not impose a state library on the page that mounts it, and two viewers on one
+ * page must not share a module-level singleton. The state is a plain object, so a
+ * host can save it, restore it and compare it.
+ *
+ * Every case returns the state **itself** when it has nothing to do, so a render
+ * memoised on the state is not defeated by an action that changed nothing —
+ * selecting the spectrum already selected, closing an error that is already
+ * closed.
+ */
+import { DEFAULT_SETTINGS, DEFAULT_SIDE_PANELS, isIrWindow, mergeIrSettings, } from "./irState.js";
+/**
+ * The state a viewer opens with.
+ *
+ * The panel list is spread rather than stored by reference: a caller's array is
+ * the caller's to mutate, and a viewer holding it would find its open panels
+ * changing under it.
+ * @param options - What it opens on.
+ * @returns The state.
+ */
+export function createIrState(options = {}) {
+    const { spectra = [], settings, panelIds } = options;
+    return {
+        data: { spectra: [...spectra] },
+        view: {
+            selectedId: spectra[0]?.id ?? null,
+            domain: null,
+            tool: 'read',
+            openPanelIds: [...(panelIds ?? DEFAULT_SIDE_PANELS)],
+            error: null,
+        },
+        settings: mergeIrSettings(DEFAULT_SETTINGS, settings),
+    };
+}
+/**
+ * Fold one action into the state.
+ * @param state - The state in force.
+ * @param action - What is being asked.
+ * @returns The new state, or the old one when nothing changed.
+ */
+export function irReducer(state, action) {
+    switch (action.type) {
+        case 'addSpectra': {
+            if (action.spectra.length === 0)
+                return state;
+            const spectra = [...state.data.spectra, ...action.spectra];
+            return {
+                ...state,
+                data: { spectra },
+                view: {
+                    ...state.view,
+                    // Whatever arrived is what somebody wants to look at, so it takes the
+                    // selection — but only when nothing was selected, since a spectrum
+                    // added for comparison must not steal the panels from the one being
+                    // read.
+                    selectedId: state.view.selectedId ?? action.spectra[0]?.id ?? null,
+                    error: null,
+                },
+            };
+        }
+        case 'setSpectra': {
+            return {
+                ...state,
+                data: { spectra: [...action.spectra] },
+                view: {
+                    ...state.view,
+                    selectedId: action.spectra[0]?.id ?? null,
+                    // Replacing what is drawn is the one change that throws the window
+                    // away: a window over one spectrum's wavenumbers means nothing over
+                    // another's, and the chart refits when it is handed `null`.
+                    domain: null,
+                    error: null,
+                },
+            };
+        }
+        case 'removeSpectrum': {
+            const spectra = state.data.spectra.filter((spectrum) => spectrum.id !== action.id);
+            if (spectra.length === state.data.spectra.length)
+                return state;
+            return {
+                ...state,
+                data: { spectra },
+                view: {
+                    ...state.view,
+                    selectedId: state.view.selectedId === action.id
+                        ? (spectra[0]?.id ?? null)
+                        : state.view.selectedId,
+                },
+            };
+        }
+        case 'renameSpectrum': {
+            const name = action.name.trim();
+            if (name === '') {
+                return withError(state, 'A spectrum needs a name to be called by.');
+            }
+            return mapSpectrum(state, action.id, (spectrum) => spectrum.name === name ? spectrum : { ...spectrum, name });
+        }
+        case 'setSpectrumColor': {
+            return mapSpectrum(state, action.id, (spectrum) => spectrum.color === action.color
+                ? spectrum
+                : { ...spectrum, color: action.color });
+        }
+        case 'setSpectrumVisible': {
+            return mapSpectrum(state, action.id, (spectrum) => spectrum.visible === action.visible
+                ? spectrum
+                : { ...spectrum, visible: action.visible });
+        }
+        case 'selectSpectrum': {
+            if (state.view.selectedId === action.id)
+                return state;
+            return { ...state, view: { ...state.view, selectedId: action.id } };
+        }
+        case 'setDomain': {
+            if (!isIrWindow(action.domain))
+                return state;
+            return { ...state, view: { ...state.view, domain: action.domain } };
+        }
+        case 'resetDomain': {
+            if (state.view.domain === null)
+                return state;
+            return { ...state, view: { ...state.view, domain: null } };
+        }
+        case 'setTool': {
+            if (state.view.tool === action.tool)
+                return state;
+            return { ...state, view: { ...state.view, tool: action.tool } };
+        }
+        case 'togglePanel': {
+            const { openPanelIds } = state.view;
+            const open = openPanelIds.includes(action.panelId);
+            return {
+                ...state,
+                view: {
+                    ...state.view,
+                    openPanelIds: open
+                        ? openPanelIds.filter((id) => id !== action.panelId)
+                        : [...openPanelIds, action.panelId],
+                },
+            };
+        }
+        case 'setError': {
+            if (state.view.error === action.error)
+                return state;
+            return { ...state, view: { ...state.view, error: action.error } };
+        }
+        case 'setSettings': {
+            const settings = mergeIrSettings(state.settings, action.settings);
+            return { ...state, settings };
+        }
+        case 'loadState': {
+            const { data, view, settings } = action.state;
+            return {
+                data: data === undefined ? state.data : { spectra: [...data.spectra] },
+                view: { ...state.view, ...view },
+                settings: mergeIrSettings(state.settings, settings),
+            };
+        }
+        case 'clear': {
+            if (state.data.spectra.length === 0 && state.view.error === null) {
+                return state;
+            }
+            return {
+                ...state,
+                data: { spectra: [] },
+                view: { ...state.view, selectedId: null, domain: null, error: null },
+            };
+        }
+        /* Every action is handled above, and TypeScript is what keeps that true
+           when one is added — so there is nothing for a fallback to do. */
+        // no default
+    }
+}
+/**
+ * Change one spectrum, leaving the state alone when it did not change.
+ * @param state - The state in force.
+ * @param id - Which spectrum.
+ * @param change - What to make of it; return it unchanged for no change.
+ * @returns The new state, or the old one.
+ */
+function mapSpectrum(state, id, change) {
+    let changed = false;
+    const spectra = state.data.spectra.map((spectrum) => {
+        if (spectrum.id !== id)
+            return spectrum;
+        const next = change(spectrum);
+        if (next !== spectrum)
+            changed = true;
+        return next;
+    });
+    if (!changed)
+        return state;
+    return { ...state, data: { spectra }, view: { ...state.view, error: null } };
+}
+/**
+ * Refuse an action, saying why.
+ * @param state - The state in force.
+ * @param error - The sentence to show whoever asked.
+ * @returns The state carrying the refusal.
+ */
+function withError(state, error) {
+    return { ...state, view: { ...state.view, error } };
+}
+//# sourceMappingURL=irReducer.js.map

package/lib/ir/core/irReducer.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"irReducer.js","sourceRoot":"","sources":["../../../src/ir/core/irReducer.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAKH,OAAO,EACL,gBAAgB,EAChB,mBAAmB,EACnB,UAAU,EACV,eAAe,GAChB,MAAM,cAAc,CAAC;AAuCtB;;;;;;;;GAQG;AACH,MAAM,UAAU,aAAa,CAAC,UAAgC,EAAE;IAC9D,MAAM,EAAE,OAAO,GAAG,EAAE,EAAE,QAAQ,EAAE,QAAQ,EAAE,GAAG,OAAO,CAAC;IACrD,OAAO;QACL,IAAI,EAAE,EAAE,OAAO,EAAE,CAAC,GAAG,OAAO,CAAC,EAAE;QAC/B,IAAI,EAAE;YACJ,UAAU,EAAE,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,IAAI,IAAI;YAClC,MAAM,EAAE,IAAI;YACZ,IAAI,EAAE,MAAM;YACZ,YAAY,EAAE,CAAC,GAAG,CAAC,QAAQ,IAAI,mBAAmB,CAAC,CAAC;YACpD,KAAK,EAAE,IAAI;SACZ;QACD,QAAQ,EAAE,eAAe,CAAC,gBAAgB,EAAE,QAAQ,CAAC;KACtD,CAAC;AACJ,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,SAAS,CAAC,KAAc,EAAE,MAAgB;IACxD,QAAQ,MAAM,CAAC,IAAI,EAAE,CAAC;QACpB,KAAK,YAAY,CAAC,CAAC,CAAC;YAClB,IAAI,MAAM,CAAC,OAAO,CAAC,MAAM,KAAK,CAAC;gBAAE,OAAO,KAAK,CAAC;YAC9C,MAAM,OAAO,GAAG,CAAC,GAAG,KAAK,CAAC,IAAI,CAAC,OAAO,EAAE,GAAG,MAAM,CAAC,OAAO,CAAC,CAAC;YAC3D,OAAO;gBACL,GAAG,KAAK;gBACR,IAAI,EAAE,EAAE,OAAO,EAAE;gBACjB,IAAI,EAAE;oBACJ,GAAG,KAAK,CAAC,IAAI;oBACb,sEAAsE;oBACtE,mEAAmE;oBACnE,oEAAoE;oBACpE,QAAQ;oBACR,UAAU,EAAE,KAAK,CAAC,IAAI,CAAC,UAAU,IAAI,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,IAAI,IAAI;oBAClE,KAAK,EAAE,IAAI;iBACZ;aACF,CAAC;QACJ,CAAC;QAED,KAAK,YAAY,CAAC,CAAC,CAAC;YAClB,OAAO;gBACL,GAAG,KAAK;gBACR,IAAI,EAAE,EAAE,OAAO,EAAE,CAAC,GAAG,MAAM,CAAC,OAAO,CAAC,EAAE;gBACtC,IAAI,EAAE;oBACJ,GAAG,KAAK,CAAC,IAAI;oBACb,UAAU,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,IAAI,IAAI;oBACzC,mEAAmE;oBACnE,oEAAoE;oBACpE,4DAA4D;oBAC5D,MAAM,EAAE,IAAI;oBACZ,KAAK,EAAE,IAAI;iBACZ;aACF,CAAC;QACJ,CAAC;QAED,KAAK,gBAAgB,CAAC,CAAC,CAAC;YACtB,MAAM,OAAO,GAAG,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,MAAM,CACvC,CAAC,QAAQ,EAAE,EAAE,CAAC,QAAQ,CAAC,EAAE,KAAK,MAAM,CAAC,EAAE,CACxC,CAAC;YACF,IAAI,OAAO,CAAC,MAAM,KAAK,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,MAAM;gBAAE,OAAO,KAAK,CAAC;YAC/D,OAAO;gBACL,GAAG,KAAK;gBACR,IAAI,EAAE,EAAE,OAAO,EAAE;gBACjB,IAAI,EAAE;oBACJ,GAAG,KAAK,CAAC,IAAI;oBACb,UAAU,EACR,KAAK,CAAC,IAAI,CAAC,UAAU,KAAK,MAAM,CAAC,EAAE;wBACjC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE,IAAI,IAAI,CAAC;wBAC1B,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,UAAU;iBAC5B;aACF,CAAC;QACJ,CAAC;QAED,KAAK,gBAAgB,CAAC,CAAC,CAAC;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC,IAAI,EAAE,CAAC;YAChC,IAAI,IAAI,KAAK,EAAE,EAAE,CAAC;gBAChB,OAAO,SAAS,CAAC,KAAK,EAAE,0CAA0C,CAAC,CAAC;YACtE,CAAC;YACD,OAAO,WAAW,CAAC,KAAK,EAAE,MAAM,CAAC,EAAE,EAAE,CAAC,QAAQ,EAAE,EAAE,CAChD,QAAQ,CAAC,IAAI,KAAK,IAAI,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,GAAG,QAAQ,EAAE,IAAI,EAAE,CAC1D,CAAC;QACJ,CAAC;QAED,KAAK,kBAAkB,CAAC,CAAC,CAAC;YACxB,OAAO,WAAW,CAAC,KAAK,EAAE,MAAM,CAAC,EAAE,EAAE,CAAC,QAAQ,EAAE,EAAE,CAChD,QAAQ,CAAC,KAAK,KAAK,MAAM,CAAC,KAAK;gBAC7B,CAAC,CAAC,QAAQ;gBACV,CAAC,CAAC,EAAE,GAAG,QAAQ,EAAE,KAAK,EAAE,MAAM,CAAC,KAAK,EAAE,CACzC,CAAC;QACJ,CAAC;QAED,KAAK,oBAAoB,CAAC,CAAC,CAAC;YAC1B,OAAO,WAAW,CAAC,KAAK,EAAE,MAAM,CAAC,EAAE,EAAE,CAAC,QAAQ,EAAE,EAAE,CAChD,QAAQ,CAAC,OAAO,KAAK,MAAM,CAAC,OAAO;gBACjC,CAAC,CAAC,QAAQ;gBACV,CAAC,CAAC,EAAE,GAAG,QAAQ,EAAE,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,CAC7C,CAAC;QACJ,CAAC;QAED,KAAK,gBAAgB,CAAC,CAAC,CAAC;YACtB,IAAI,KAAK,CAAC,IAAI,CAAC,UAAU,KAAK,MAAM,CAAC,EAAE;gBAAE,OAAO,KAAK,CAAC;YACtD,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,UAAU,EAAE,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC;QACtE,CAAC;QAED,KAAK,WAAW,CAAC,CAAC,CAAC;YACjB,IAAI,CAAC,UAAU,CAAC,MAAM,CAAC,MAAM,CAAC;gBAAE,OAAO,KAAK,CAAC;YAC7C,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,MAAM,EAAE,MAAM,CAAC,MAAM,EAAE,EAAE,CAAC;QACtE,CAAC;QAED,KAAK,aAAa,CAAC,CAAC,CAAC;YACnB,IAAI,KAAK,CAAC,IAAI,CAAC,MAAM,KAAK,IAAI;gBAAE,OAAO,KAAK,CAAC;YAC7C,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,EAAE,CAAC;QAC7D,CAAC;QAED,KAAK,SAAS,CAAC,CAAC,CAAC;YACf,IAAI,KAAK,CAAC,IAAI,CAAC,IAAI,KAAK,MAAM,CAAC,IAAI;gBAAE,OAAO,KAAK,CAAC;YAClD,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,IAAI,EAAE,MAAM,CAAC,IAAI,EAAE,EAAE,CAAC;QAClE,CAAC;QAED,KAAK,aAAa,CAAC,CAAC,CAAC;YACnB,MAAM,EAAE,YAAY,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC;YACpC,MAAM,IAAI,GAAG,YAAY,CAAC,QAAQ,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC;YACnD,OAAO;gBACL,GAAG,KAAK;gBACR,IAAI,EAAE;oBACJ,GAAG,KAAK,CAAC,IAAI;oBACb,YAAY,EAAE,IAAI;wBAChB,CAAC,CAAC,YAAY,CAAC,MAAM,CAAC,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,KAAK,MAAM,CAAC,OAAO,CAAC;wBACpD,CAAC,CAAC,CAAC,GAAG,YAAY,EAAE,MAAM,CAAC,OAAO,CAAC;iBACtC;aACF,CAAC;QACJ,CAAC;QAED,KAAK,UAAU,CAAC,CAAC,CAAC;YAChB,IAAI,KAAK,CAAC,IAAI,CAAC,KAAK,KAAK,MAAM,CAAC,KAAK;gBAAE,OAAO,KAAK,CAAC;YACpD,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,KAAK,EAAE,MAAM,CAAC,KAAK,EAAE,EAAE,CAAC;QACpE,CAAC;QAED,KAAK,aAAa,CAAC,CAAC,CAAC;YACnB,MAAM,QAAQ,GAAG,eAAe,CAAC,KAAK,CAAC,QAAQ,EAAE,MAAM,CAAC,QAAQ,CAAC,CAAC;YAClE,OAAO,EAAE,GAAG,KAAK,EAAE,QAAQ,EAAE,CAAC;QAChC,CAAC;QAED,KAAK,WAAW,CAAC,CAAC,CAAC;YACjB,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,QAAQ,EAAE,GAAG,MAAM,CAAC,KAAK,CAAC;YAC9C,OAAO;gBACL,IAAI,EAAE,IAAI,KAAK,SAAS,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,CAAC,GAAG,IAAI,CAAC,OAAO,CAAC,EAAE;gBACtE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,GAAG,IAAI,EAAE;gBAChC,QAAQ,EAAE,eAAe,CAAC,KAAK,CAAC,QAAQ,EAAE,QAAQ,CAAC;aACpD,CAAC;QACJ,CAAC;QAED,KAAK,OAAO,CAAC,CAAC,CAAC;YACb,IAAI,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,MAAM,KAAK,CAAC,IAAI,KAAK,CAAC,IAAI,CAAC,KAAK,KAAK,IAAI,EAAE,CAAC;gBACjE,OAAO,KAAK,CAAC;YACf,CAAC;YACD,OAAO;gBACL,GAAG,KAAK;gBACR,IAAI,EAAE,EAAE,OAAO,EAAE,EAAE,EAAE;gBACrB,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,EAAE,IAAI,EAAE;aACrE,CAAC;QACJ,CAAC;QACD;2EACmE;QACnE,aAAa;IACf,CAAC;AACH,CAAC;AAED;;;;;;GAMG;AACH,SAAS,WAAW,CAClB,KAAc,EACd,EAAU,EACV,MAA4C;IAE5C,IAAI,OAAO,GAAG,KAAK,CAAC;IACpB,MAAM,OAAO,GAAG,KAAK,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,QAAQ,EAAE,EAAE;QAClD,IAAI,QAAQ,CAAC,EAAE,KAAK,EAAE;YAAE,OAAO,QAAQ,CAAC;QACxC,MAAM,IAAI,GAAG,MAAM,CAAC,QAAQ,CAAC,CAAC;QAC9B,IAAI,IAAI,KAAK,QAAQ;YAAE,OAAO,GAAG,IAAI,CAAC;QACtC,OAAO,IAAI,CAAC;IACd,CAAC,CAAC,CAAC;IACH,IAAI,CAAC,OAAO;QAAE,OAAO,KAAK,CAAC;IAC3B,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,OAAO,EAAE,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,KAAK,EAAE,IAAI,EAAE,EAAE,CAAC;AAC/E,CAAC;AAED;;;;;GAKG;AACH,SAAS,SAAS,CAAC,KAAc,EAAE,KAAa;IAC9C,OAAO,EAAE,GAAG,KAAK,EAAE,IAAI,EAAE,EAAE,GAAG,KAAK,CAAC,IAAI,EAAE,KAAK,EAAE,EAAE,CAAC;AACtD,CAAC"}

package/lib/ir/core/irSidePanels.d.ts

@@ -0,0 +1,22 @@
+/**
+ * The panels the side of the viewer can hold, in the order their icons stack.
+ *
+ * One frozen list read by both the activity bar and the panel stack, so a panel
+ * switched off and on again comes back where it was rather than at the end.
+ */
+export declare const irSidePanels: readonly [{
+    readonly id: "spectra";
+    readonly title: "Spectra";
+    readonly icon: "timeline-line-chart";
+}, {
+    readonly id: "bands";
+    readonly title: "Bands";
+    readonly icon: "th-list";
+}, {
+    readonly id: "metadata";
+    readonly title: "Acquisition";
+    readonly icon: "properties";
+}];
+/** Identity of one of the panels the activity bar offers. */
+export type IrSidePanelId = (typeof irSidePanels)[number]['id'];
+//# sourceMappingURL=irSidePanels.d.ts.map

package/lib/ir/core/irSidePanels.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"irSidePanels.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irSidePanels.ts"],"names":[],"mappings":"AAEA;;;;;GAKG;AACH,eAAO,MAAM,YAAY;;;;;;;;;;;;EAQvB,CAAC;AAEH,6DAA6D;AAC7D,MAAM,MAAM,aAAa,GAAG,CAAC,OAAO,YAAY,CAAC,CAAC,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC"}

package/lib/ir/core/irSidePanels.js

@@ -0,0 +1,12 @@
+/**
+ * The panels the side of the viewer can hold, in the order their icons stack.
+ *
+ * One frozen list read by both the activity bar and the panel stack, so a panel
+ * switched off and on again comes back where it was rather than at the end.
+ */
+export const irSidePanels = [
+    { id: 'spectra', title: 'Spectra', icon: 'timeline-line-chart' },
+    { id: 'bands', title: 'Bands', icon: 'th-list' },
+    { id: 'metadata', title: 'Acquisition', icon: 'properties' },
+];
+//# sourceMappingURL=irSidePanels.js.map

package/lib/ir/core/irSidePanels.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"irSidePanels.js","sourceRoot":"","sources":["../../../src/ir/core/irSidePanels.ts"],"names":[],"mappings":"AAEA;;;;;GAKG;AACH,MAAM,CAAC,MAAM,YAAY,GAAG;IAC1B,EAAE,EAAE,EAAE,SAAS,EAAE,KAAK,EAAE,SAAS,EAAE,IAAI,EAAE,qBAAqB,EAAE;IAChE,EAAE,EAAE,EAAE,OAAO,EAAE,KAAK,EAAE,OAAO,EAAE,IAAI,EAAE,SAAS,EAAE;IAChD,EAAE,EAAE,EAAE,UAAU,EAAE,KAAK,EAAE,aAAa,EAAE,IAAI,EAAE,YAAY,EAAE;CAK5D,CAAC"}

package/lib/ir/core/irSpectrum.d.ts

@@ -0,0 +1,140 @@
+/**
+ * What an infrared spectrum is once it has been read, whatever it was read from.
+ *
+ * One acquisition becomes one `IrSpectrum` carrying **both** value axes —
+ * absorbance and percent transmittance — over one shared array of wavenumbers.
+ * Both are held rather than one being derived on demand because `ir-spectrum`
+ * already produces both when it reads a file: it adds an `a` and a `t` variable
+ * to every spectrum whichever of the two the instrument wrote, so the conversion
+ * happens once, in the one place that knows what the file's y axis meant. Holding
+ * the answer means switching what is drawn costs nothing, and means the two
+ * axes can never drift apart through a round trip.
+ *
+ * The arrays are `Float64Array` and are replaced on a change, never written
+ * into, since every consumer holds the same object by reference. An infrared
+ * spectrum is a few thousand points rather than a mass spectrum's few hundred
+ * thousand, so holding two value axes costs nothing worth counting.
+ */
+import type { DataXY } from 'cheminfo-types';
+import type { ChartDomain } from '../../chart/core/chartDomain.ts';
+/**
+ * One trace of a measurement: wavenumber against whichever value axis is drawn.
+ *
+ * `DataXY` is the shape every package in this pipeline speaks — `ir-spectrum`,
+ * `common-spectrum`, `xy-parser` and `ml-spectra-processing` all take and return
+ * it — so declaring a parallel type of our own would buy nothing and cost an
+ * adapter at each boundary.
+ */
+export type IrTrace = DataXY<Float64Array>;
+/** The formats a spectrum can have been read from. */
+export type IrFormat = 'jcamp' | 'spc' | 'text' | 'calculated';
+/**
+ * Where a spectrum came from, and what the file said about the acquisition.
+ *
+ * Kept apart from `meta` because these are the facts other code branches on,
+ * while `meta` is a table to read.
+ */
+export interface IrOrigin {
+    /** The format it was read from. */
+    format: IrFormat;
+    /**
+     * Name of the file it came from, absent for a paste.
+     * @default undefined
+     */
+    fileName?: string;
+    /**
+     * Which block of that file, absent when the file held only one.
+     * @default undefined
+     */
+    blockIndex?: number;
+    /**
+     * Which value axis the file itself carried, absent when it said nothing.
+     *
+     * Worth keeping even though both axes are held: a spectrum exported as
+     * transmittance and one exported as absorbance are the same measurement, but
+     * only one of the two is what the instrument actually recorded, and the other
+     * carries whatever the conversion did to its noise.
+     * @default undefined
+     */
+    recorded?: IrMode;
+}
+/** One row of the acquisition table. */
+export interface IrMetaField {
+    /** How the row is named, in the display order the table fixes. */
+    label: string;
+    /** The value as the file states it. */
+    value: string;
+}
+/**
+ * What the file says about how the spectrum was acquired.
+ *
+ * Only ever what it actually says: a field the file leaves blank is left out
+ * rather than shown empty, so the table is short and every line in it is a fact.
+ * A plain two-column paste carries none of this, and the panel then shows the
+ * file name alone.
+ */
+export interface IrMeta {
+    /** The title record, `null` when the file carries none. */
+    title: string | null;
+    /** The fields that are populated, in display order. */
+    fields: IrMetaField[];
+}
+/** Which value axis is being drawn and read. */
+export type IrMode = 'absorbance' | 'transmittance';
+/** One spectrum as the viewer holds it. */
+export interface IrSpectrum {
+    /** Identity, stable across edits so a selection survives a rename. */
+    id: string;
+    /** What the list calls it; editable, and never used as identity. */
+    name: string;
+    /** The colour it is drawn in. */
+    color: string;
+    /**
+     * The wavenumbers in cm⁻¹, **ascending**.
+     *
+     * Ascending even though the axis is read from 4000 down to 400: which way the
+     * numbers run on screen is the chart's business, and every binary search and
+     * every extent taken off index zero downstream wants them in order. Reversing
+     * the data instead would make the drawing simpler once and everything else
+     * wrong.
+     */
+    wavenumber: Float64Array;
+    /** Absorbance at each wavenumber, as `ir-spectrum` supplied it. */
+    absorbance: Float64Array;
+    /** Percent transmittance at each wavenumber, likewise. */
+    transmittance: Float64Array;
+    /** What the file said about the acquisition, `null` when it said nothing. */
+    meta: IrMeta | null;
+    /** Where it came from. */
+    origin: IrOrigin;
+    /** Whether it is drawn. */
+    visible: boolean;
+    /**
+     * Whether the trace is left out of the automatic domain. A reference held
+     * under the pointer for comparison must not move the axes, or hovering one
+     * would throw away the zoom the user set.
+     * @default false
+     */
+    excludeFromDomain?: boolean;
+}
+/**
+ * The window the chart is showing, in data units.
+ *
+ * `ChartDomain` itself, not a type of our own: the arithmetic that moves a
+ * window is the shared chart's and speaks that type, and an alias here
+ * that merely renamed it would need converting at every call. `x` is in
+ * wavenumbers and runs low to high, whichever way round the axis is drawn.
+ */
+export type IrDomain = ChartDomain;
+/**
+ * The trace to draw for a spectrum, in whichever value axis is being read.
+ *
+ * The arrays are handed back by reference rather than copied: nothing downstream
+ * writes into a trace, and a profile of a few thousand points copied on every
+ * render of every spectrum is a copy per frame for no gain.
+ * @param spectrum - The spectrum.
+ * @param mode - Which value axis is being drawn.
+ * @returns The trace, sharing the spectrum's own arrays.
+ */
+export declare function traceOf(spectrum: IrSpectrum, mode: IrMode): IrTrace;
+//# sourceMappingURL=irSpectrum.d.ts.map

package/lib/ir/core/irSpectrum.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"irSpectrum.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;GAgBG;AAEH,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,gBAAgB,CAAC;AAE7C,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,iCAAiC,CAAC;AAEnE;;;;;;;GAOG;AACH,MAAM,MAAM,OAAO,GAAG,MAAM,CAAC,YAAY,CAAC,CAAC;AAE3C,sDAAsD;AACtD,MAAM,MAAM,QAAQ,GAAG,OAAO,GAAG,KAAK,GAAG,MAAM,GAAG,YAAY,CAAC;AAE/D;;;;;GAKG;AACH,MAAM,WAAW,QAAQ;IACvB,mCAAmC;IACnC,MAAM,EAAE,QAAQ,CAAC;IACjB;;;OAGG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB;;;OAGG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB;;;;;;;;OAQG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;CACnB;AAED,wCAAwC;AACxC,MAAM,WAAW,WAAW;IAC1B,kEAAkE;IAClE,KAAK,EAAE,MAAM,CAAC;IACd,uCAAuC;IACvC,KAAK,EAAE,MAAM,CAAC;CACf;AAED;;;;;;;GAOG;AACH,MAAM,WAAW,MAAM;IACrB,2DAA2D;IAC3D,KAAK,EAAE,MAAM,GAAG,IAAI,CAAC;IACrB,uDAAuD;IACvD,MAAM,EAAE,WAAW,EAAE,CAAC;CACvB;AAED,gDAAgD;AAChD,MAAM,MAAM,MAAM,GAAG,YAAY,GAAG,eAAe,CAAC;AAEpD,2CAA2C;AAC3C,MAAM,WAAW,UAAU;IACzB,sEAAsE;IACtE,EAAE,EAAE,MAAM,CAAC;IACX,oEAAoE;IACpE,IAAI,EAAE,MAAM,CAAC;IACb,iCAAiC;IACjC,KAAK,EAAE,MAAM,CAAC;IACd;;;;;;;;OAQG;IACH,UAAU,EAAE,YAAY,CAAC;IACzB,mEAAmE;IACnE,UAAU,EAAE,YAAY,CAAC;IACzB,0DAA0D;IAC1D,aAAa,EAAE,YAAY,CAAC;IAC5B,6EAA6E;IAC7E,IAAI,EAAE,MAAM,GAAG,IAAI,CAAC;IACpB,0BAA0B;IAC1B,MAAM,EAAE,QAAQ,CAAC;IACjB,2BAA2B;IAC3B,OAAO,EAAE,OAAO,CAAC;IACjB;;;;;OAKG;IACH,iBAAiB,CAAC,EAAE,OAAO,CAAC;CAC7B;AAED;;;;;;;GAOG;AACH,MAAM,MAAM,QAAQ,GAAG,WAAW,CAAC;AAEnC;;;;;;;;;GASG;AACH,wBAAgB,OAAO,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,GAAG,OAAO,CAKnE"}

package/lib/ir/core/irSpectrum.js

@@ -0,0 +1,34 @@
+/**
+ * What an infrared spectrum is once it has been read, whatever it was read from.
+ *
+ * One acquisition becomes one `IrSpectrum` carrying **both** value axes —
+ * absorbance and percent transmittance — over one shared array of wavenumbers.
+ * Both are held rather than one being derived on demand because `ir-spectrum`
+ * already produces both when it reads a file: it adds an `a` and a `t` variable
+ * to every spectrum whichever of the two the instrument wrote, so the conversion
+ * happens once, in the one place that knows what the file's y axis meant. Holding
+ * the answer means switching what is drawn costs nothing, and means the two
+ * axes can never drift apart through a round trip.
+ *
+ * The arrays are `Float64Array` and are replaced on a change, never written
+ * into, since every consumer holds the same object by reference. An infrared
+ * spectrum is a few thousand points rather than a mass spectrum's few hundred
+ * thousand, so holding two value axes costs nothing worth counting.
+ */
+/**
+ * The trace to draw for a spectrum, in whichever value axis is being read.
+ *
+ * The arrays are handed back by reference rather than copied: nothing downstream
+ * writes into a trace, and a profile of a few thousand points copied on every
+ * render of every spectrum is a copy per frame for no gain.
+ * @param spectrum - The spectrum.
+ * @param mode - Which value axis is being drawn.
+ * @returns The trace, sharing the spectrum's own arrays.
+ */
+export function traceOf(spectrum, mode) {
+    return {
+        x: spectrum.wavenumber,
+        y: mode === 'absorbance' ? spectrum.absorbance : spectrum.transmittance,
+    };
+}
+//# sourceMappingURL=irSpectrum.js.map

package/lib/ir/core/irSpectrum.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"irSpectrum.js","sourceRoot":"","sources":["../../../src/ir/core/irSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;GAgBG;AA2HH;;;;;;;;;GASG;AACH,MAAM,UAAU,OAAO,CAAC,QAAoB,EAAE,IAAY;IACxD,OAAO;QACL,CAAC,EAAE,QAAQ,CAAC,UAAU;QACtB,CAAC,EAAE,IAAI,KAAK,YAAY,CAAC,CAAC,CAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,QAAQ,CAAC,aAAa;KACxE,CAAC;AACJ,CAAC"}

package/lib/ir/core/irState.d.ts

@@ -0,0 +1,119 @@
+/**
+ * Everything the viewer knows, in the three buckets NMRium splits its own into
+ * — the same three the mass viewer holds, under the same names.
+ *
+ * The split is the persistence boundary as much as anything: `data` is the
+ * document, `view` is where you are in it and lasts as long as the session, and
+ * `settings` is the workspace, which is how every spectrum is drawn whichever
+ * ones happen to be open.
+ *
+ * The bands are **not** in here. They are derived from the spectra and the
+ * picking settings, so holding them would mean holding an answer that has to be
+ * kept in step with its own inputs — `useIrEditor` recomputes them instead, and
+ * a stale band is then impossible rather than merely unlikely.
+ */
+import type { IrSidePanelId } from './irSidePanels.ts';
+import type { IrDomain, IrMode, IrSpectrum } from './irSpectrum.ts';
+import type { PickBandsOptions } from './pickBands.ts';
+/** The document: what a file holds. */
+export interface IrData {
+    /** The spectra, in the order they were loaded. */
+    spectra: IrSpectrum[];
+}
+/** What a drag across the chart is for while it is chosen. */
+export type IrTool = 'read' | 'box';
+/** Where you are in the viewer. */
+export interface IrView {
+    /** Identity of the spectrum the panels act on, `null` for none. */
+    selectedId: string | null;
+    /**
+     * The window being shown, `null` while the chart is showing what fits.
+     *
+     * Held here so that a toolbar button can zoom — the chart is told a window and
+     * reports every window it arrives at, and this is where the answer lives
+     * between the two.
+     */
+    domain: IrDomain | null;
+    /** Which tool a drag across the chart is running. */
+    tool: IrTool;
+    /** The side panels that are open, in the order their icons are stacked. */
+    openPanelIds: IrSidePanelId[];
+    /** Why the last action was refused, `null` as soon as one succeeds. */
+    error: string | null;
+}
+/** The workspace: how every spectrum is drawn, whichever ones are open. */
+export interface IrSettings {
+    /** Which value axis the spectra are read in. */
+    mode: IrMode;
+    /** Whether the bands are picked at all. */
+    pickBands: boolean;
+    /** How the bands are picked when they are. */
+    picking: PickBandsOptions;
+    /** Whether a band's label names its assignment as well as its wavenumber. */
+    showAssignments: boolean;
+    /** At most how many bands are labelled on the chart. */
+    labelLimit: number;
+    /** How far outside a table range a band may fall and still be offered it. */
+    assignmentTolerance: number;
+}
+/** Everything the viewer knows. */
+export interface IrState {
+    /** The spectra that are open. */
+    data: IrData;
+    /** Where you are in the viewer. */
+    view: IrView;
+    /** How spectra are drawn and read. */
+    settings: IrSettings;
+}
+/** Part of a state, as a host restoring one supplies it. */
+export interface PartialIrState {
+    /** The spectra that were open. */
+    data?: IrData;
+    /** Where the viewer was left. */
+    view?: Partial<IrView>;
+    /** The workspace they were drawn in. */
+    settings?: Partial<IrSettings>;
+}
+/** The panel the splitter brings back when it is dragged open on nothing. */
+export declare const DEFAULT_SIDE_PANEL: IrSidePanelId;
+/**
+ * The panels a fresh viewer opens with.
+ *
+ * The band table, because it is the reason to open an infrared spectrum at all
+ * — a trace on its own can be looked at, and it is the table beside it that lets
+ * it be read.
+ */
+export declare const DEFAULT_SIDE_PANELS: IrSidePanelId[];
+/** At most how many bands a gesture may ask to have labelled. */
+export declare const MAXIMUM_LABEL_LIMIT = 200;
+/** How many are labelled to begin with. */
+export declare const DEFAULT_LABEL_LIMIT = 12;
+/** How the bands are picked before anybody adjusts it. */
+export declare const DEFAULT_PICKING: PickBandsOptions;
+/** The workspace a fresh viewer starts from. */
+export declare const DEFAULT_SETTINGS: IrSettings;
+/**
+ * Fold a change into the workspace, refusing what no chart survives.
+ *
+ * A number typed into a field arrives here as `NaN` for every keystroke that is
+ * not yet a number — a lone minus sign, an empty box — and a limit of `NaN`
+ * silently stops every label being drawn. So each is checked, and the current
+ * value is kept where the new one is unusable rather than the field being
+ * fought with while it is being typed in.
+ * @param current - The workspace in force.
+ * @param change - What to change about it.
+ * @returns The new workspace.
+ */
+export declare function mergeIrSettings(current: IrSettings, change?: Partial<IrSettings>): IrSettings;
+/**
+ * Whether a window is one a chart can be built on.
+ *
+ * Both ends finite and the low one below the high one. A window failing either
+ * makes every scale built from it infinite, which the DOM refuses outright — so
+ * a handle told to frame a band it worked out wrongly leaves the chart alone
+ * instead of blanking it.
+ * @param domain - The window to check.
+ * @returns Whether it can be shown.
+ */
+export declare function isIrWindow(domain: IrDomain): boolean;
+//# sourceMappingURL=irState.d.ts.map

package/lib/ir/core/irState.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"irState.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irState.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AACvD,OAAO,KAAK,EAAE,QAAQ,EAAE,MAAM,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AACpE,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AAEvD,uCAAuC;AACvC,MAAM,WAAW,MAAM;IACrB,kDAAkD;IAClD,OAAO,EAAE,UAAU,EAAE,CAAC;CACvB;AAED,8DAA8D;AAC9D,MAAM,MAAM,MAAM,GAAG,MAAM,GAAG,KAAK,CAAC;AAEpC,mCAAmC;AACnC,MAAM,WAAW,MAAM;IACrB,mEAAmE;IACnE,UAAU,EAAE,MAAM,GAAG,IAAI,CAAC;IAC1B;;;;;;OAMG;IACH,MAAM,EAAE,QAAQ,GAAG,IAAI,CAAC;IACxB,qDAAqD;IACrD,IAAI,EAAE,MAAM,CAAC;IACb,2EAA2E;IAC3E,YAAY,EAAE,aAAa,EAAE,CAAC;IAC9B,uEAAuE;IACvE,KAAK,EAAE,MAAM,GAAG,IAAI,CAAC;CACtB;AAED,2EAA2E;AAC3E,MAAM,WAAW,UAAU;IACzB,gDAAgD;IAChD,IAAI,EAAE,MAAM,CAAC;IACb,2CAA2C;IAC3C,SAAS,EAAE,OAAO,CAAC;IACnB,8CAA8C;IAC9C,OAAO,EAAE,gBAAgB,CAAC;IAC1B,6EAA6E;IAC7E,eAAe,EAAE,OAAO,CAAC;IACzB,wDAAwD;IACxD,UAAU,EAAE,MAAM,CAAC;IACnB,6EAA6E;IAC7E,mBAAmB,EAAE,MAAM,CAAC;CAC7B;AAED,mCAAmC;AACnC,MAAM,WAAW,OAAO;IACtB,iCAAiC;IACjC,IAAI,EAAE,MAAM,CAAC;IACb,mCAAmC;IACnC,IAAI,EAAE,MAAM,CAAC;IACb,sCAAsC;IACtC,QAAQ,EAAE,UAAU,CAAC;CACtB;AAED,4DAA4D;AAC5D,MAAM,WAAW,cAAc;IAC7B,kCAAkC;IAClC,IAAI,CAAC,EAAE,MAAM,CAAC;IACd,iCAAiC;IACjC,IAAI,CAAC,EAAE,OAAO,CAAC,MAAM,CAAC,CAAC;IACvB,wCAAwC;IACxC,QAAQ,CAAC,EAAE,OAAO,CAAC,UAAU,CAAC,CAAC;CAChC;AAED,6EAA6E;AAC7E,eAAO,MAAM,kBAAkB,EAAE,aAAyB,CAAC;AAE3D;;;;;;GAMG;AACH,eAAO,MAAM,mBAAmB,EAAE,aAAa,EAAyB,CAAC;AAEzE,iEAAiE;AACjE,eAAO,MAAM,mBAAmB,MAAM,CAAC;AAEvC,2CAA2C;AAC3C,eAAO,MAAM,mBAAmB,KAAK,CAAC;AAEtC,0DAA0D;AAC1D,eAAO,MAAM,eAAe,EAAE,gBAG7B,CAAC;AAEF,gDAAgD;AAChD,eAAO,MAAM,gBAAgB,EAAE,UAO9B,CAAC;AAEF;;;;;;;;;;;GAWG;AACH,wBAAgB,eAAe,CAC7B,OAAO,EAAE,UAAU,EACnB,MAAM,GAAE,OAAO,CAAC,UAAU,CAAM,GAC/B,UAAU,CAeZ;AAED;;;;;;;;;GASG;AACH,wBAAgB,UAAU,CAAC,MAAM,EAAE,QAAQ,GAAG,OAAO,CAEpD"}

package/lib/ir/core/irState.js

@@ -0,0 +1,92 @@
+/**
+ * Everything the viewer knows, in the three buckets NMRium splits its own into
+ * — the same three the mass viewer holds, under the same names.
+ *
+ * The split is the persistence boundary as much as anything: `data` is the
+ * document, `view` is where you are in it and lasts as long as the session, and
+ * `settings` is the workspace, which is how every spectrum is drawn whichever
+ * ones happen to be open.
+ *
+ * The bands are **not** in here. They are derived from the spectra and the
+ * picking settings, so holding them would mean holding an answer that has to be
+ * kept in step with its own inputs — `useIrEditor` recomputes them instead, and
+ * a stale band is then impossible rather than merely unlikely.
+ */
+/** The panel the splitter brings back when it is dragged open on nothing. */
+export const DEFAULT_SIDE_PANEL = 'spectra';
+/**
+ * The panels a fresh viewer opens with.
+ *
+ * The band table, because it is the reason to open an infrared spectrum at all
+ * — a trace on its own can be looked at, and it is the table beside it that lets
+ * it be read.
+ */
+export const DEFAULT_SIDE_PANELS = ['spectra', 'bands'];
+/** At most how many bands a gesture may ask to have labelled. */
+export const MAXIMUM_LABEL_LIMIT = 200;
+/** How many are labelled to begin with. */
+export const DEFAULT_LABEL_LIMIT = 12;
+/** How the bands are picked before anybody adjusts it. */
+export const DEFAULT_PICKING = {
+    minRelativeHeight: 0.02,
+    minPeakWidth: 4,
+};
+/** The workspace a fresh viewer starts from. */
+export const DEFAULT_SETTINGS = {
+    mode: 'transmittance',
+    pickBands: true,
+    picking: DEFAULT_PICKING,
+    showAssignments: false,
+    labelLimit: DEFAULT_LABEL_LIMIT,
+    assignmentTolerance: 5,
+};
+/**
+ * Fold a change into the workspace, refusing what no chart survives.
+ *
+ * A number typed into a field arrives here as `NaN` for every keystroke that is
+ * not yet a number — a lone minus sign, an empty box — and a limit of `NaN`
+ * silently stops every label being drawn. So each is checked, and the current
+ * value is kept where the new one is unusable rather than the field being
+ * fought with while it is being typed in.
+ * @param current - The workspace in force.
+ * @param change - What to change about it.
+ * @returns The new workspace.
+ */
+export function mergeIrSettings(current, change = {}) {
+    const asked = change.labelLimit ?? current.labelLimit;
+    const tolerance = change.assignmentTolerance ?? current.assignmentTolerance;
+    return {
+        ...current,
+        ...change,
+        picking: { ...current.picking, ...change.picking },
+        labelLimit: Number.isFinite(asked)
+            ? Math.min(MAXIMUM_LABEL_LIMIT, Math.max(0, Math.round(asked)))
+            : current.labelLimit,
+        assignmentTolerance: Number.isFinite(tolerance) && tolerance >= 0
+            ? tolerance
+            : current.assignmentTolerance,
+    };
+}
+/**
+ * Whether a window is one a chart can be built on.
+ *
+ * Both ends finite and the low one below the high one. A window failing either
+ * makes every scale built from it infinite, which the DOM refuses outright — so
+ * a handle told to frame a band it worked out wrongly leaves the chart alone
+ * instead of blanking it.
+ * @param domain - The window to check.
+ * @returns Whether it can be shown.
+ */
+export function isIrWindow(domain) {
+    return isWindow(domain.x) && isWindow(domain.y);
+}
+/**
+ * Whether one axis of a window runs from somewhere to somewhere else.
+ * @param bounds - `[from, to]` on that axis.
+ * @returns Whether it is usable.
+ */
+function isWindow(bounds) {
+    const [from, to] = bounds;
+    return Number.isFinite(from) && Number.isFinite(to) && from < to;
+}
+//# sourceMappingURL=irState.js.map