react-cheminfo 0.74.0 → 0.75.0

package/src/locales/fr.json

@@ -103,6 +103,7 @@
   "site.regexp.tagline": "Apprendre les expressions régulières dans un bac à sable interactif.",
   "site.pdb.tagline": "Un coup d'œil rapide sur n'importe quelle entrée de la Protein Data Bank.",
   "site.elucidation.tagline": "Une structure à partir d'un spectre RMN 1H et d'une formule.",
+  "site.spectroscopy.tagline": "Trouver une structure à partir de ses spectres IR, de masse et RMN.",
   "site.equilibrium.tagline": "Équilibres chimiques : pH, spéciation et courbes de titrage.",
   "site.polycarp.tagline": "Prédire la microstructure d'une copolymérisation radicalaire.",
   "site.3d.tagline": "Les conformères en 3D d'une structure que vous dessinez.",
@@ -345,6 +346,21 @@
   "formula.wholeCounts": "« {formula} » compte {count} pour un atome ; un nombre d’atomes est entier.",
   "formula.unknownNotation": "« {formula} » utilise une notation que cet outil ne compte pas.",
   "formula.unreadable": "« {formula} » n’est pas une formule que cet outil sait lire ({reason}).",
+  "formula.lookup.title": "Recherche de formule",
+  "formula.lookup.reset": "Réinitialiser la masse et les intervalles d’éléments",
+  "formula.lookup.mass": "Masse monoisotopique",
+  "formula.lookup.massPlaceholder": "p. ex. 128.0626",
+  "formula.lookup.neutral": "Celle de la molécule neutre : retirez les protons que le spectre a ajoutés.",
+  "formula.lookup.fewest": "{element} : nombre minimal d’atomes",
+  "formula.lookup.most": "{element} : nombre maximal d’atomes",
+  "formula.lookup.typeMass": "Tapez une masse pour lister les formules que ces intervalles permettent.",
+  "formula.lookup.closest": "Les {count} plus proches sur {total} formules",
+  "formula.lookup.countOne": "{count} formule",
+  "formula.lookup.countMany": "{count} formules",
+  "formula.lookup.nothingFits": "Aucune formule ne convient. Élargissez un intervalle, ou vérifiez la masse.",
+  "formula.lookup.tooWide": "Ces intervalles permettent trop de formules pour les parcourir. Resserrez-en un.",
+  "formula.lookup.ppm": "{value} ppm",
+  "formula.lookup.detail": "{mass} Da, insaturation {unsaturation}",
   "slides.exit": "Quitter",
   "slides.previousSlide": "Diapositive précédente",
   "slides.nextSlide": "Diapositive suivante",

package/src/locales/it.json

@@ -103,6 +103,7 @@
   "site.regexp.tagline": "Imparare le espressioni regolari in un ambiente interattivo.",
   "site.pdb.tagline": "Uno sguardo rapido a qualsiasi voce della Protein Data Bank.",
   "site.elucidation.tagline": "Una struttura da uno spettro NMR 1H e da una formula.",
+  "site.spectroscopy.tagline": "Trovare una struttura dai suoi spettri IR, di massa e NMR.",
   "site.equilibrium.tagline": "Equilibri chimici: pH, speciazione e curve di titolazione.",
   "site.polycarp.tagline": "Prevedere la microstruttura di una copolimerizzazione radicalica.",
   "site.3d.tagline": "Conformeri in 3D a partire da una struttura che si disegna.",
@@ -345,6 +346,21 @@
   "formula.wholeCounts": "«{formula}» dà a un atomo il numero {count}; i numeri di atomi sono interi.",
   "formula.unknownNotation": "«{formula}» usa una notazione che questo strumento non conta.",
   "formula.unreadable": "«{formula}» non è una formula che questo strumento sa leggere ({reason}).",
+  "formula.lookup.title": "Ricerca di formule",
+  "formula.lookup.reset": "Reimposta la massa e gli intervalli degli elementi",
+  "formula.lookup.mass": "Massa monoisotopica",
+  "formula.lookup.massPlaceholder": "es. 128.0626",
+  "formula.lookup.neutral": "Quella della molecola neutra: togli i protoni che lo spettro ha aggiunto.",
+  "formula.lookup.fewest": "Numero minimo di atomi di {element}",
+  "formula.lookup.most": "Numero massimo di atomi di {element}",
+  "formula.lookup.typeMass": "Scrivi una massa per elencare le formule che questi intervalli consentono.",
+  "formula.lookup.closest": "Le {count} più vicine su {total} formule",
+  "formula.lookup.countOne": "{count} formula",
+  "formula.lookup.countMany": "{count} formule",
+  "formula.lookup.nothingFits": "Nessuna formula corrisponde. Allarga un intervallo o controlla la massa.",
+  "formula.lookup.tooWide": "Questi intervalli consentono troppe formule per la ricerca. Restringine uno.",
+  "formula.lookup.ppm": "{value} ppm",
+  "formula.lookup.detail": "{mass} Da, insaturazione {unsaturation}",
   "slides.exit": "Esci",
   "slides.previousSlide": "Diapositiva precedente",
   "slides.nextSlide": "Diapositiva successiva",

package/src/structure/ui/useToolbarFloor.ts

@@ -41,18 +41,28 @@ export function useToolbarFloor(
     if (container === null) return;
 
     return watchToolbar(container, (toolbar) => {
+      let frame = 0;
       const size = new ResizeObserver(() => {
-        // offsetHeight, because a dialog opens under a scaling transform and a
-        // measured rectangle would be that of the half drawn toolbar.
-        const height = toolbar.offsetHeight;
-        // Zero is a toolbar being torn down or not yet laid out, never a
-        // toolbar that needs no room: writing the fallback for it would undo a
-        // correct floor and leave the palette cut off.
-        if (height === 0) return;
-        container.style.minHeight = `${toolbarFloorHeight(height, minHeight)}px`;
+        // Written on the next frame: growing the box from inside this callback
+        // resizes the editor element above the toolbar, whose own observer the
+        // browser then drops with a "ResizeObserver loop" error.
+        cancelAnimationFrame(frame);
+        frame = requestAnimationFrame(() => {
+          // offsetHeight, because a dialog opens under a scaling transform and
+          // a measured rectangle would be that of the half drawn toolbar.
+          const height = toolbar.offsetHeight;
+          // Zero is a toolbar being torn down or not yet laid out, never a
+          // toolbar that needs no room: writing the fallback for it would undo
+          // a correct floor and leave the palette cut off.
+          if (height === 0) return;
+          container.style.minHeight = `${toolbarFloorHeight(height, minHeight)}px`;
+        });
       });
       size.observe(toolbar);
-      return () => size.disconnect();
+      return () => {
+        cancelAnimationFrame(frame);
+        size.disconnect();
+      };
     });
   }, [minHeight, revision]);
 

package/styles/chrome.css

@@ -1760,6 +1760,139 @@ span.taxon-lineage__name {
   font-family: ui-monospace, SFMono-Regular, Menlo, Consolas, monospace;
 }
 
+/* ── A formula lookup ────────────────────────────────────────────────────── */
+
+/* Only the panel's own look: where it sits — a column beside a question, a
+   sticky rail, a shadow — is the page's, through the class it passes. */
+.formula-lookup {
+  display: flex;
+  flex-direction: column;
+  border: 1px solid var(--border);
+  background: var(--surface);
+}
+
+.formula-lookup__header {
+  display: flex;
+  align-items: center;
+  padding: 0.25rem 0.5rem 0.25rem 0.75rem;
+  border-bottom: 1px solid var(--border);
+  color: var(--text-muted);
+  font-size: 0.8rem;
+  font-weight: 700;
+  gap: 0.25rem;
+  letter-spacing: 0.04em;
+  text-transform: uppercase;
+}
+
+.formula-lookup__header > .bp6-button {
+  margin-left: auto;
+}
+
+.formula-lookup__body {
+  display: flex;
+  flex-direction: column;
+  padding: 0.75rem;
+  gap: 0.5rem;
+}
+
+.formula-lookup__field {
+  display: flex;
+  flex-direction: column;
+  color: var(--text-muted);
+  font-size: 0.8rem;
+  font-weight: 600;
+  gap: 2px;
+}
+
+.formula-lookup__hint {
+  color: var(--text-muted);
+  font-size: 0.75rem;
+  line-height: 1.4;
+}
+
+/* Two elements to a line: each box holds two or three digits. */
+.formula-lookup__ranges {
+  display: grid;
+  margin-top: 0.25rem;
+  gap: 0.25rem 0.5rem;
+  grid-template-columns: repeat(2, minmax(0, 1fr));
+}
+
+.formula-lookup__range {
+  display: flex;
+  min-width: 0;
+  align-items: center;
+  gap: 3px;
+}
+
+.formula-lookup__range .bp6-input-group {
+  min-width: 0;
+  flex: 1 1 0;
+}
+
+.formula-lookup__range .bp6-input {
+  padding-right: 4px;
+  padding-left: 4px;
+  text-align: center;
+}
+
+.formula-lookup__element {
+  width: 1.3rem;
+  font-variant-numeric: tabular-nums;
+  font-weight: 700;
+}
+
+.formula-lookup__dash {
+  color: var(--text-muted);
+  font-size: 0.75rem;
+}
+
+.formula-lookup__results {
+  display: flex;
+  flex-direction: column;
+  padding: 0.75rem;
+  border-top: 1px solid var(--border);
+  gap: 0.25rem;
+}
+
+/* A search still to come leaves the band empty rather than collapsing it. */
+.formula-lookup__results:empty {
+  min-height: 2.5rem;
+}
+
+.formula-lookup__count {
+  color: var(--text-muted);
+  font-size: 0.75rem;
+  font-weight: 600;
+}
+
+.formula-lookup__list {
+  display: flex;
+  overflow-y: auto;
+  max-height: 40vh;
+  flex-direction: column;
+  padding: 0;
+  margin: 0;
+  list-style: none;
+}
+
+/* A formula is never split across two lines. */
+.formula-lookup__list li {
+  display: flex;
+  align-items: baseline;
+  justify-content: space-between;
+  padding: 2px 0;
+  font-size: 0.85rem;
+  gap: 0.5rem;
+  white-space: nowrap;
+}
+
+.formula-lookup__ppm {
+  color: var(--text-muted);
+  font-size: 0.72rem;
+  font-variant-numeric: tabular-nums;
+}
+
 /* ── A list of exercises ─────────────────────────────────────────────────── */
 
 .exercise-list {