react-cheminfo 0.1.0 → 0.3.0

package/README.md

@@ -25,15 +25,22 @@ npm i react-cheminfo
 dependencies: a site already has them, and a second copy of `react-science`
 would mean two Blueprint style trees in one page.
 
-## Two entry points
+## Three entry points
 
-| Import                | Holds                                                                         |
-| --------------------- | ----------------------------------------------------------------------------- |
-| `react-cheminfo/ui`   | the React components                                                          |
-| `react-cheminfo/core` | the framework-free logic — citation formats, the site list — with no React in |
+| Import                   | Holds                                                                         | Costs          |
+| ------------------------ | ----------------------------------------------------------------------------- | -------------- |
+| `react-cheminfo/core`    | the framework-free logic — citation formats, the site list, the orbital maths | nothing        |
+| `react-cheminfo/ui`      | the React components of a site header                                         | React          |
+| `react-cheminfo/orbital` | the 3D atomic-orbital viewer                                                  | React, molstar |
 
 A backend serving an RIS endpoint, and every unit test of that logic, therefore
-load no React at all.
+load no React at all — and a worker sampling an orbital loads neither React nor
+molstar.
+
+The orbital viewer has its own door because **molstar is several megabytes**: a
+site that only wants the Tools menu must never be made to carry it. `molstar` is
+an optional peer dependency, so `npm i react-cheminfo` installs nothing extra
+until a site actually imports `react-cheminfo/orbital`.
 
 The sources are organised the other way round — one folder per component
 (`src/citation`, `src/ecosystem`), each holding a `core/` and a `ui/` half — and
@@ -84,15 +91,49 @@ import { EcosystemButton } from 'react-cheminfo/ui';
 ```
 
 - `currentSiteId` is the one thing that differs per site: that tile is shown
-  with a _you are here_ label and is not a link. Passing nothing links all ten.
+  with a _you are here_ label and is not a link. Passing nothing links them all.
 - `compact` drops the text and the caret, leaving the icon alone to open the
   menu, for a header that has run out of room. The label stays what the pointer
   and a screen reader are told.
 - A tile **lights up in the colour of the site it opens**, so running the
-  pointer down the grid is what makes the ten pairs of colours read.
+  pointer down the grid is what makes the pairs of colours read.
+
+### `AtomicOrbitalViewer`
+
+One hydrogen-like atomic orbital, screened by Slater's rules, sampled in the
+browser and drawn as a signed isosurface with molstar.
+
+```tsx
+import { AtomicOrbitalViewer } from 'react-cheminfo/orbital';
+
+<AtomicOrbitalViewer atomicNumber={26} orbitalId="3dz2" />;
+```
+
+- The **maths is exact**, not a cartoon: a hydrogen-like radial function with its
+  `n − ℓ − 1` nodes, times a real spherical harmonic with its ℓ angular ones.
+  The Slater orbital a hybridisation model uses is nodeless and would draw a 3s
+  exactly like a 1s, only fatter.
+- The canvas is behind a `React.lazy` boundary and **nothing this entry point
+  exports pulls molstar in statically**, so a page that never draws an orbital
+  never downloads it.
+- A **WebGL probe runs before molstar is touched** (`probeViewerCapability`), so
+  a locked-down school machine gets a sentence rather than a blank rectangle.
+- Every orbital is drawn at one canonical size. Molstar's camera clamps its near
+  plane, so uranium's 4f — which reaches 0.35 Å — would otherwise stay a dot in
+  the corner; the true extent is reported as ⟨r⟩ instead.
+- `sample` accepts a worker-backed sampler when a site would rather not spend
+  ~25 ms of its main thread per orbital. `runAtomicSample` from
+  `react-cheminfo/core` is the function that worker calls, and it imports
+  neither React nor molstar.
+
+The maths is exported on its own from `react-cheminfo/core` —
+`atomicOrbitalsOf`, `configurationOf`, `slaterScreening`, `radialProfile`,
+`radialNodeRadii`, `sampleAtomicOrbital` — so a site can draw its own radial
+plot, list an element's orbitals, or print a screened charge without mounting
+anything.
 
 Each mark keeps the geometry of that site's own logo where it has one, redrawn
-on a plate of the site's own colour so ten marks from ten sites still read as
+on a plate of the site's own colour so every mark of the family still reads as
 one row, and carrying the site's answering colour on exactly one element —
 which is what stops it collapsing into a flat shape at 16 px.
 

package/lib/citation/core/formats.js

@@ -1,6 +1,6 @@
 import { doiUrl } from "./reference.js";
 import { renderHtml, renderMarkdown, renderText } from "./render.js";
-import { citationSegments } from "./segments.js";
+import { citationSegments, pageRange } from "./segments.js";
 /**
  * Every format offered, in the order the menu lists them. Plain text is not
  * one of them: an HTML copy carries it as its second flavour, so a paste into
@@ -71,7 +71,6 @@ export function formatCitation(reference, format, style = DEFAULT_CITATION_STYLE
 }
 function formatBibTeX(reference) {
     const { title, journal, year, volume, issue, publisher, doi } = reference;
-    const { firstPage, lastPage } = reference;
     const fields = [
         ['author', authorList(reference, ' and ')],
         ['title', title],
@@ -79,7 +78,7 @@ function formatBibTeX(reference) {
         ['year', String(year)],
         ['volume', volume],
         ['number', issue],
-        ['pages', `${firstPage}--${lastPage}`],
+        ['pages', pageRange(reference, '--')],
         ['publisher', publisher],
         ['doi', doi],
         ['url', doiUrl(reference)],

package/lib/citation/core/formats.js.map

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package/lib/citation/core/segments.d.ts

@@ -44,4 +44,12 @@ export declare const CITATION_STYLES: readonly [{
  * @returns The segments of the citation, in reading order.
  */
 export declare function citationSegments(reference: Reference, style: CitationStyleId): CitationSegment[];
+/**
+ * The pages of a work, as its styles write them.
+ * @param reference - The work being written.
+ * @param dash - What joins the two ends, an en dash in every style but BibTeX.
+ * @returns One number for a journal that paginates by article number, the
+ * range otherwise.
+ */
+export declare function pageRange(reference: Reference, dash?: string): string;
 //# sourceMappingURL=segments.d.ts.map

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@@ -1 +1 @@
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+{"version":3,"file":"segments.d.ts","sourceRoot":"","sources":["../../../src/citation/core/segments.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAGhD,8EAA8E;AAC9E,MAAM,MAAM,eAAe,GACvB;IAAE,IAAI,EAAE,MAAM,GAAG,QAAQ,GAAG,MAAM,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GAClD;IAAE,IAAI,EAAE,MAAM,CAAC;IAAC,IAAI,EAAE,MAAM,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,CAAC;AAEjD,0DAA0D;AAC1D,MAAM,MAAM,eAAe,GAAG,KAAK,GAAG,QAAQ,GAAG,KAAK,GAAG,OAAO,CAAC;AAEjE,sCAAsC;AACtC,MAAM,WAAW,aAAa;IAC5B,EAAE,EAAE,eAAe,CAAC;IACpB,yBAAyB;IACzB,KAAK,EAAE,MAAM,CAAC;IACd,iEAAiE;IACjE,IAAI,EAAE,MAAM,CAAC;CACd;AAED,6DAA6D;AAC7D,eAAO,MAAM,eAAe;;;;;;;;;;;;;;;;EAKiB,CAAC;AAE9C;;;;;;GAMG;AACH,wBAAgB,gBAAgB,CAC9B,SAAS,EAAE,SAAS,EACpB,KAAK,EAAE,eAAe,GACrB,eAAe,EAAE,CAanB;AAmHD;;;;;;GAMG;AACH,wBAAgB,SAAS,CAAC,SAAS,EAAE,SAAS,EAAE,IAAI,SAAM,GAAG,MAAM,CAIlE"}

package/lib/citation/core/segments.js

@@ -127,8 +127,17 @@ function initialsFirst(reference, lastSeparator) {
         return names.join(', ');
     return `${names.slice(0, -1).join(', ')}${lastSeparator}${last}`;
 }
-function pageRange(reference) {
-    // En dash: what every style asks for in a page range.
-    return `${reference.firstPage}–${reference.lastPage}`;
+/**
+ * The pages of a work, as its styles write them.
+ * @param reference - The work being written.
+ * @param dash - What joins the two ends, an en dash in every style but BibTeX.
+ * @returns One number for a journal that paginates by article number, the
+ * range otherwise.
+ */
+export function pageRange(reference, dash = '–') {
+    const { firstPage, lastPage } = reference;
+    if (firstPage === lastPage)
+        return firstPage;
+    return `${firstPage}${dash}${lastPage}`;
 }
 //# sourceMappingURL=segments.js.map

package/lib/citation/core/segments.js.map

@@ -1 +1 @@
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+{"version":3,"file":"segments.js","sourceRoot":"","sources":["../../../src/citation/core/segments.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,MAAM,EAAE,MAAM,gBAAgB,CAAC;AAmBxC,6DAA6D;AAC7D,MAAM,CAAC,MAAM,eAAe,GAAG;IAC7B,EAAE,EAAE,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,EAAE,kBAAkB,EAAE;IACrD,EAAE,EAAE,EAAE,QAAQ,EAAE,KAAK,EAAE,QAAQ,EAAE,IAAI,EAAE,oBAAoB,EAAE;IAC7D,EAAE,EAAE,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,EAAE,yBAAyB,EAAE;IAC5D,EAAE,EAAE,EAAE,OAAO,EAAE,KAAK,EAAE,OAAO,EAAE,IAAI,EAAE,6BAA6B,EAAE;CACzB,CAAC;AAE9C;;;;;;GAMG;AACH,MAAM,UAAU,gBAAgB,CAC9B,SAAoB,EACpB,KAAsB;IAEtB,QAAQ,KAAK,EAAE,CAAC;QACd,KAAK,KAAK;YACR,OAAO,GAAG,CAAC,SAAS,CAAC,CAAC;QACxB,KAAK,QAAQ;YACX,OAAO,MAAM,CAAC,SAAS,CAAC,CAAC;QAC3B,KAAK,KAAK;YACR,OAAO,GAAG,CAAC,SAAS,CAAC,CAAC;QACxB,KAAK,OAAO;YACV,OAAO,KAAK,CAAC,SAAS,CAAC,CAAC;QAC1B;YACE,MAAM,IAAI,KAAK,CAAC,2BAA2B,MAAM,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC;IAChE,CAAC;AACH,CAAC;AAED,SAAS,GAAG,CAAC,SAAoB;IAC/B,MAAM,EAAE,KAAK,EAAE,mBAAmB,EAAE,IAAI,EAAE,MAAM,EAAE,GAAG,SAAS,CAAC;IAC/D,OAAO;QACL,IAAI,CAAC,GAAG,WAAW,CAAC,SAAS,EAAE,IAAI,CAAC,IAAI,KAAK,IAAI,CAAC;QAClD,MAAM,CAAC,mBAAmB,CAAC;QAC3B,IAAI,CAAC,GAAG,CAAC;QACT,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QAClB,IAAI,CAAC,IAAI,CAAC;QACV,MAAM,CAAC,MAAM,CAAC;QACd,IAAI,CAAC,KAAK,SAAS,CAAC,SAAS,CAAC,IAAI,CAAC;QACnC,OAAO,CAAC,SAAS,CAAC;KACnB,CAAC;AACJ,CAAC;AAED,SAAS,MAAM,CAAC,SAAoB;IAClC,MAAM,EAAE,KAAK,EAAE,mBAAmB,EAAE,IAAI,EAAE,MAAM,EAAE,GAAG,SAAS,CAAC;IAC/D,OAAO;QACL,IAAI,CAAC,GAAG,oBAAoB,CAAC,SAAS,CAAC,IAAI,KAAK,IAAI,CAAC;QACrD,MAAM,CAAC,mBAAmB,CAAC;QAC3B,IAAI,CAAC,GAAG,CAAC;QACT,IAAI,CAAC,MAAM,CAAC;QACZ,IAAI,CAAC,KAAK,SAAS,CAAC,SAAS,CAAC,KAAK,IAAI,KAAK,CAAC;QAC7C,OAAO,CAAC,SAAS,CAAC;KACnB,CAAC;AACJ,CAAC;AAED,SAAS,GAAG,CAAC,SAAoB;IAC/B,MAAM,EAAE,mBAAmB,EAAE,IAAI,EAAE,MAAM,EAAE,GAAG,SAAS,CAAC;IACxD,OAAO;QACL,IAAI,CAAC,GAAG,aAAa,CAAC,SAAS,EAAE,OAAO,CAAC,IAAI,CAAC;QAC9C,MAAM,CAAC,mBAAmB,CAAC;QAC3B,IAAI,CAAC,KAAK,IAAI,IAAI,CAAC;QACnB,IAAI,CAAC,MAAM,CAAC;QACZ,IAAI,CAAC,KAAK,SAAS,CAAC,SAAS,CAAC,IAAI,CAAC;QACnC,OAAO,CAAC,SAAS,CAAC;KACnB,CAAC;AACJ,CAAC;AAED,SAAS,KAAK,CAAC,SAAoB;IACjC,MAAM,EAAE,mBAAmB,EAAE,IAAI,EAAE,MAAM,EAAE,GAAG,SAAS,CAAC;IACxD,OAAO;QACL,IAAI,CAAC,GAAG,aAAa,CAAC,SAAS,EAAE,IAAI,CAAC,IAAI,CAAC;QAC3C,MAAM,CAAC,mBAAmB,CAAC;QAC3B,IAAI,CAAC,GAAG,CAAC;QACT,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QAClB,IAAI,CAAC,IAAI,CAAC;QACV,MAAM,CAAC,MAAM,CAAC;QACd,IAAI,CAAC,KAAK,SAAS,CAAC,SAAS,CAAC,IAAI,CAAC;QACnC,OAAO,CAAC,SAAS,CAAC;KACnB,CAAC;AACJ,CAAC;AAED,SAAS,IAAI,CAAC,KAAa;IACzB,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,EAAE,CAAC;AACvC,CAAC;AAED,SAAS,MAAM,CAAC,KAAa;IAC3B,OAAO,EAAE,IAAI,EAAE,QAAQ,EAAE,IAAI,EAAE,KAAK,EAAE,CAAC;AACzC,CAAC;AAED,SAAS,IAAI,CAAC,KAAa;IACzB,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,KAAK,EAAE,CAAC;AACvC,CAAC;AAED,SAAS,OAAO,CAAC,SAAoB;IACnC,OAAO;QACL,IAAI,EAAE,MAAM;QACZ,IAAI,EAAE,OAAO,SAAS,CAAC,GAAG,EAAE;QAC5B,IAAI,EAAE,MAAM,CAAC,SAAS,CAAC;KACxB,CAAC;AACJ,CAAC;AAED;;;;;GAKG;AACH,SAAS,WAAW,CAAC,SAAoB,EAAE,SAAiB;IAC1D,OAAO,SAAS,CAAC,OAAO;SACrB,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,KAAK,MAAM,CAAC,KAAK,EAAE,CAAC;SACpD,IAAI,CAAC,SAAS,CAAC,CAAC;AACrB,CAAC;AAED;;;;GAIG;AACH,SAAS,oBAAoB,CAAC,SAAoB;IAChD,MAAM,KAAK,GAAG,SAAS,CAAC,OAAO,CAAC,GAAG,CACjC,CAAC,MAAM,EAAE,EAAE,CAAC,GAAG,MAAM,CAAC,MAAM,KAAK,MAAM,CAAC,KAAK,EAAE,CAChD,CAAC;IACF,MAAM,IAAI,GAAG,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IAC1B,IAAI,KAAK,CAAC,MAAM,GAAG,CAAC,IAAI,IAAI,KAAK,SAAS;QAAE,OAAO,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;IACpE,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,IAAI,EAAE,CAAC;AACtD,CAAC;AAED;;;;;GAKG;AACH,SAAS,aAAa,CAAC,SAAoB,EAAE,aAAqB;IAChE,MAAM,KAAK,GAAG,SAAS,CAAC,OAAO,CAAC,GAAG,CACjC,CAAC,MAAM,EAAE,EAAE,CAAC,GAAG,MAAM,CAAC,KAAK,IAAI,MAAM,CAAC,MAAM,EAAE,CAC/C,CAAC;IACF,MAAM,IAAI,GAAG,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IAC1B,IAAI,KAAK,CAAC,MAAM,GAAG,CAAC,IAAI,IAAI,KAAK,SAAS;QAAE,OAAO,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;IACpE,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,aAAa,GAAG,IAAI,EAAE,CAAC;AACnE,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,SAAS,CAAC,SAAoB,EAAE,IAAI,GAAG,GAAG;IACxD,MAAM,EAAE,SAAS,EAAE,QAAQ,EAAE,GAAG,SAAS,CAAC;IAC1C,IAAI,SAAS,KAAK,QAAQ;QAAE,OAAO,SAAS,CAAC;IAC7C,OAAO,GAAG,SAAS,GAAG,IAAI,GAAG,QAAQ,EAAE,CAAC;AAC1C,CAAC"}

package/lib/core.d.ts

@@ -1,3 +1,4 @@
 export * from './citation/core/index.ts';
 export * from './ecosystem/core/index.ts';
+export * from './orbital/core/index.ts';
 //# sourceMappingURL=core.d.ts.map

package/lib/core.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"core.d.ts","sourceRoot":"","sources":["../src/core.ts"],"names":[],"mappings":"AAAA,cAAc,0BAA0B,CAAC;AACzC,cAAc,2BAA2B,CAAC"}
+{"version":3,"file":"core.d.ts","sourceRoot":"","sources":["../src/core.ts"],"names":[],"mappings":"AAAA,cAAc,0BAA0B,CAAC;AACzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,yBAAyB,CAAC"}

package/lib/core.js

@@ -1,3 +1,4 @@
 export * from "./citation/core/index.js";
 export * from "./ecosystem/core/index.js";
+export * from "./orbital/core/index.js";
 //# sourceMappingURL=core.js.map

package/lib/core.js.map

@@ -1 +1 @@
-{"version":3,"file":"core.js","sourceRoot":"","sources":["../src/core.ts"],"names":[],"mappings":"AAAA,cAAc,0BAA0B,CAAC;AACzC,cAAc,2BAA2B,CAAC"}
+{"version":3,"file":"core.js","sourceRoot":"","sources":["../src/core.ts"],"names":[],"mappings":"AAAA,cAAc,0BAA0B,CAAC;AACzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,yBAAyB,CAAC"}

package/lib/ecosystem/core/sites.d.ts

@@ -1,5 +1,5 @@
 /** The sites the menu links to, in the order they are listed. */
-export type SiteId = 'inchi' | 'vcl' | 'smiles' | 'chemcalc' | 'nmrium' | 'surge' | 'tex' | 'lcao' | 'regexp' | 'pdb';
+export type SiteId = 'inchi' | 'vcl' | 'smiles' | 'chemcalc' | 'nmrium' | 'surge' | 'tex' | 'lcao' | 'regexp' | 'pdb' | 'elucidation' | 'equilibrium' | 'polycarp' | '3d' | 'pt';
 export interface SiteName {
     /** First half of the name, set in the site's leading colour. */
     lead: string;

package/lib/ecosystem/core/sites.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"sites.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/core/sites.ts"],"names":[],"mappings":"AAAA,iEAAiE;AACjE,MAAM,MAAM,MAAM,GACd,OAAO,GACP,KAAK,GACL,QAAQ,GACR,UAAU,GACV,QAAQ,GACR,OAAO,GACP,KAAK,GACL,MAAM,GACN,QAAQ,GACR,KAAK,CAAC;AAEV,MAAM,WAAW,QAAQ;IACvB,gEAAgE;IAChE,IAAI,EAAE,MAAM,CAAC;IACb,uDAAuD;IACvD,GAAG,EAAE,MAAM,CAAC;IACZ;;;;OAIG;IACH,GAAG,CAAC,EAAE,OAAO,CAAC;CACf;AAED,MAAM,WAAW,aAAa;IAC5B,EAAE,EAAE,MAAM,CAAC;IACX,iEAAiE;IACjE,IAAI,EAAE,QAAQ,CAAC;IACf,yDAAyD;IACzD,IAAI,EAAE,MAAM,CAAC;IACb,sCAAsC;IACtC,OAAO,EAAE,MAAM,CAAC;IAChB,uDAAuD;IACvD,KAAK,EAAE,MAAM,CAAC;IACd;;;;OAIG;IACH,QAAQ,EAAE,MAAM,CAAC;IACjB,8EAA8E;IAC9E,IAAI,EAAE,cAAc,CAAC;CACtB;AAED,MAAM,WAAW,cAAc;IAC7B,+CAA+C;IAC/C,KAAK,EAAE,MAAM,CAAC;IACd,wDAAwD;IACxD,MAAM,EAAE,MAAM,CAAC;IACf;;;;OAIG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED;;;GAGG;AACH,eAAO,MAAM,eAAe,EAAE,SAAS,aAAa,EA2FnD,CAAC;AAEF;;;;GAIG;AACH,wBAAgB,OAAO,CAAC,IAAI,EAAE,aAAa,GAAG,MAAM,CAEnD"}
+{"version":3,"file":"sites.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/core/sites.ts"],"names":[],"mappings":"AAAA,iEAAiE;AACjE,MAAM,MAAM,MAAM,GACd,OAAO,GACP,KAAK,GACL,QAAQ,GACR,UAAU,GACV,QAAQ,GACR,OAAO,GACP,KAAK,GACL,MAAM,GACN,QAAQ,GACR,KAAK,GACL,aAAa,GACb,aAAa,GACb,UAAU,GACV,IAAI,GACJ,IAAI,CAAC;AAET,MAAM,WAAW,QAAQ;IACvB,gEAAgE;IAChE,IAAI,EAAE,MAAM,CAAC;IACb,uDAAuD;IACvD,GAAG,EAAE,MAAM,CAAC;IACZ;;;;OAIG;IACH,GAAG,CAAC,EAAE,OAAO,CAAC;CACf;AAED,MAAM,WAAW,aAAa;IAC5B,EAAE,EAAE,MAAM,CAAC;IACX,iEAAiE;IACjE,IAAI,EAAE,QAAQ,CAAC;IACf,yDAAyD;IACzD,IAAI,EAAE,MAAM,CAAC;IACb,sCAAsC;IACtC,OAAO,EAAE,MAAM,CAAC;IAChB,uDAAuD;IACvD,KAAK,EAAE,MAAM,CAAC;IACd;;;;OAIG;IACH,QAAQ,EAAE,MAAM,CAAC;IACjB,8EAA8E;IAC9E,IAAI,EAAE,cAAc,CAAC;CACtB;AAED,MAAM,WAAW,cAAc;IAC7B,+CAA+C;IAC/C,KAAK,EAAE,MAAM,CAAC;IACd,wDAAwD;IACxD,MAAM,EAAE,MAAM,CAAC;IACf;;;;OAIG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED;;;GAGG;AACH,eAAO,MAAM,eAAe,EAAE,SAAS,aAAa,EAwInD,CAAC;AAEF;;;;GAIG;AACH,wBAAgB,OAAO,CAAC,IAAI,EAAE,aAAa,GAAG,MAAM,CAEnD"}

package/lib/ecosystem/core/sites.js

@@ -93,6 +93,51 @@ export const ECOSYSTEM_SITES = [
         brandAlt: '#b45309',
         mark: { plate: '#2563eb', accent: '#fbbf24' },
     },
+    {
+        id: 'elucidation',
+        name: { lead: 'elucidation', alt: 'cheminfo', dot: true },
+        host: 'elucidation.cheminfo.org',
+        tagline: 'A structure from a 1H NMR spectrum and a formula.',
+        brand: '#7e22ce',
+        brandAlt: '#b45309',
+        mark: { plate: '#7e22ce', accent: '#f59e0b' },
+    },
+    {
+        id: 'equilibrium',
+        name: { lead: 'Equi', alt: 'Librium' },
+        host: 'equilibrium.cheminfo.org',
+        tagline: 'Chemical equilibria: pH, speciation and titration curves.',
+        brand: '#0b5754',
+        brandAlt: '#a56600',
+        mark: { plate: '#0b5754', accent: '#f2a71b' },
+    },
+    {
+        id: 'polycarp',
+        name: { lead: 'Poly', alt: 'Carp' },
+        host: 'polycarp.cheminfo.org',
+        tagline: 'Predict the microstructure of a radical copolymerisation.',
+        brand: '#0d1d37',
+        brandAlt: '#0c9ba3',
+        mark: { plate: '#0d1d37', accent: '#0c9ba3' },
+    },
+    {
+        id: '3d',
+        name: { lead: '3d', alt: 'cheminfo', dot: true },
+        host: '3d.cheminfo.org',
+        tagline: 'Conformers in 3D from a structure you draw.',
+        brand: '#155e75',
+        brandAlt: '#b45309',
+        mark: { plate: '#155e75', accent: '#f97316' },
+    },
+    {
+        id: 'pt',
+        name: { lead: 'pt', alt: 'cheminfo', dot: true },
+        host: 'pt.cheminfo.org',
+        tagline: 'The periodic table, coloured, plotted and taken apart.',
+        brand: '#15803d',
+        brandAlt: '#a16207',
+        mark: { plate: '#15803d', accent: '#fbbf24' },
+    },
 ];
 /**
  * The address of a site, which is its host over https.

package/lib/ecosystem/core/sites.js.map

@@ -1 +1 @@
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package/lib/ecosystem/ui/EcosystemLinks.d.ts

@@ -0,0 +1,33 @@
+import type { ReactElement } from 'react';
+import type { SiteId } from '../core/sites.ts';
+export interface EcosystemLinksProps {
+    /**
+     * The site the visitor is already on, which is written but never linked.
+     * @default undefined
+     */
+    currentSiteId?: SiteId;
+    /**
+     * What introduces the section.
+     * @default 'Our other tools'
+     */
+    heading?: string;
+    /**
+     * How much of each site is written. `grid` gives every site its mark, its
+     * name and the line saying what it does — which is what a crawler reads to
+     * know what it is following, so it is the default. `row` writes the names
+     * only, for a footer with no room.
+     * @default 'grid'
+     */
+    layout?: 'grid' | 'row';
+}
+/**
+ * Every site of the family as a plain link, for the footer of a site. It is
+ * what lets a crawler — and a visitor with no patience for menus — walk from
+ * one of our tools to the next, so it is rendered on every page rather than
+ * behind a button.
+ * @param props - The site it sits on, what introduces the section, and how much
+ * of each site is written.
+ * @returns The section of links.
+ */
+export declare function EcosystemLinks(props: EcosystemLinksProps): ReactElement;
+//# sourceMappingURL=EcosystemLinks.d.ts.map

package/lib/ecosystem/ui/EcosystemLinks.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"EcosystemLinks.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/ui/EcosystemLinks.tsx"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAEzD,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,kBAAkB,CAAC;AA4C/C,MAAM,WAAW,mBAAmB;IAClC;;;OAGG;IACH,aAAa,CAAC,EAAE,MAAM,CAAC;IACvB;;;OAGG;IACH,OAAO,CAAC,EAAE,MAAM,CAAC;IACjB;;;;;;OAMG;IACH,MAAM,CAAC,EAAE,MAAM,GAAG,KAAK,CAAC;CACzB;AAED;;;;;;;;GAQG;AACH,wBAAgB,cAAc,CAAC,KAAK,EAAE,mBAAmB,GAAG,YAAY,CAqCvE"}

package/lib/ecosystem/ui/EcosystemLinks.js

@@ -0,0 +1,55 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { ECOSYSTEM_SITES, siteUrl } from "../core/sites.js";
+import { SiteTile } from "./SiteTile.js";
+// The menu of `EcosystemMenu` lives inside a popover, so its links only enter
+// the document once somebody clicks. A crawler never clicks, so these are the
+// links that carry the family: always rendered, in the page, followed — and
+// each one carrying the name and the one line that says what it opens, as real
+// text rather than a `title` a crawler ignores.
+const SECTION_STYLE = {
+    display: 'flex',
+    flexDirection: 'column',
+    gap: 8,
+};
+const HEADING_STYLE = {
+    margin: 0,
+    color: '#5b6875',
+    fontSize: '0.75rem',
+    fontWeight: 600,
+};
+const GRID_STYLE = {
+    display: 'grid',
+    gridTemplateColumns: 'repeat(auto-fit, minmax(15rem, 1fr))',
+    gap: 2,
+};
+const ROW_STYLE = {
+    display: 'flex',
+    flexWrap: 'wrap',
+    alignItems: 'baseline',
+    gap: '0.35rem 0.9rem',
+};
+const LINK_STYLE = {
+    fontSize: '0.8125rem',
+    fontWeight: 600,
+    textDecoration: 'none',
+    whiteSpace: 'nowrap',
+};
+const CURRENT_STYLE = {
+    ...LINK_STYLE,
+    color: '#8a96a3',
+    cursor: 'default',
+};
+/**
+ * Every site of the family as a plain link, for the footer of a site. It is
+ * what lets a crawler — and a visitor with no patience for menus — walk from
+ * one of our tools to the next, so it is rendered on every page rather than
+ * behind a button.
+ * @param props - The site it sits on, what introduces the section, and how much
+ * of each site is written.
+ * @returns The section of links.
+ */
+export function EcosystemLinks(props) {
+    const { currentSiteId, heading = 'Our other tools', layout = 'grid' } = props;
+    return (_jsxs("nav", { className: "ecosystem-links", style: SECTION_STYLE, "aria-label": heading, children: [_jsx("h2", { style: HEADING_STYLE, children: heading }), layout === 'grid' ? (_jsx("div", { style: GRID_STYLE, children: ECOSYSTEM_SITES.map((site) => (_jsx(SiteTile, { site: site, isCurrent: site.id === currentSiteId }, site.id))) })) : (_jsx("div", { style: ROW_STYLE, children: ECOSYSTEM_SITES.map((site) => site.id === currentSiteId ? (_jsx("span", { style: CURRENT_STYLE, children: site.host }, site.id)) : (_jsx("a", { style: { ...LINK_STYLE, color: site.brand }, href: siteUrl(site), children: site.host }, site.id))) }))] }));
+}
+//# sourceMappingURL=EcosystemLinks.js.map

package/lib/ecosystem/ui/EcosystemLinks.js.map

@@ -0,0 +1 @@
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package/lib/ecosystem/ui/EcosystemMenu.d.ts

@@ -9,7 +9,9 @@ export interface EcosystemMenuProps {
 }
 /**
  * What the ecosystem button opens: every site of the family, each behind its
- * own little logo and the two colours it owns.
+ * own little logo and the two colours it owns. It lives in a popover, so a
+ * crawler never reaches it — `EcosystemLinks` is what carries the family
+ * through the page itself.
  * @param props - The site the visitor is already on.
  * @returns The grid of sites.
  */

package/lib/ecosystem/ui/EcosystemMenu.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"EcosystemMenu.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/ui/EcosystemMenu.tsx"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAGzD,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,kBAAkB,CAAC;AAuB/C,MAAM,WAAW,kBAAkB;IACjC;;;OAGG;IACH,aAAa,CAAC,EAAE,MAAM,CAAC;CACxB;AAED;;;;;;;GAOG;AACH,wBAAgB,aAAa,CAAC,KAAK,EAAE,kBAAkB,GAAG,YAAY,CAqBrE"}

package/lib/ecosystem/ui/EcosystemMenu.js

@@ -1,7 +1,7 @@
-import { jsx as _jsx, jsxs as _jsxs, Fragment as _Fragment } from "react/jsx-runtime";
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
 import { useState } from 'react';
-import { ECOSYSTEM_SITES, siteUrl } from "../core/sites.js";
-import { SiteMark } from "./marks.js";
+import { ECOSYSTEM_SITES } from "../core/sites.js";
+import { SiteTile } from "./SiteTile.js";
 const PANEL_STYLE = {
     display: 'flex',
     width: 'min(34rem, 90vw)',
@@ -19,94 +19,17 @@ const GRID_STYLE = {
     gridTemplateColumns: 'repeat(auto-fit, minmax(15rem, 1fr))',
     gap: 2,
 };
-const TILE_STYLE = {
-    display: 'flex',
-    alignItems: 'center',
-    padding: '7px 8px',
-    border: '1px solid transparent',
-    borderRadius: 10,
-    color: '#16202c',
-    gap: 10,
-    textDecoration: 'none',
-    transition: 'background 120ms, border-color 120ms, transform 120ms',
-};
-const MARK_HOLDER_STYLE = {
-    display: 'flex',
-    transition: 'transform 160ms',
-};
-const TEXT_STYLE = { minWidth: 0 };
-const NAME_STYLE = {
-    display: 'flex',
-    alignItems: 'baseline',
-    fontSize: '0.9375rem',
-    fontWeight: 700,
-    letterSpacing: '-0.01em',
-    gap: 6,
-    whiteSpace: 'nowrap',
-};
-const HERE_STYLE = {
-    fontSize: '0.625rem',
-    fontWeight: 700,
-    letterSpacing: '0.04em',
-    textTransform: 'uppercase',
-};
-const TAGLINE_STYLE = {
-    color: '#5b6875',
-    fontSize: '0.75rem',
-    lineHeight: 1.35,
-};
 /**
  * What the ecosystem button opens: every site of the family, each behind its
- * own little logo and the two colours it owns.
+ * own little logo and the two colours it owns. It lives in a popover, so a
+ * crawler never reaches it — `EcosystemLinks` is what carries the family
+ * through the page itself.
  * @param props - The site the visitor is already on.
  * @returns The grid of sites.
  */
 export function EcosystemMenu(props) {
     const { currentSiteId } = props;
     const [hovered, setHovered] = useState(null);
-    return (_jsxs("div", { className: "ecosystem-menu", style: PANEL_STYLE, children: [_jsx("div", { style: HEADING_STYLE, children: "Our other tools, all in the browser" }), _jsx("div", { style: GRID_STYLE, children: ECOSYSTEM_SITES.map((site) => (_jsx(SiteTile, { site: site, isCurrent: site.id === currentSiteId, isHovered: hovered === site.id, onHover: setHovered }, site.id))) })] }));
-}
-/**
- * One site: its mark, its name in its own colours, and what it does.
- * @param props - The site, and whether it is the current or the hovered one.
- * @returns The tile.
- */
-function SiteTile(props) {
-    const { site, isCurrent, isHovered, onHover } = props;
-    const lit = isHovered && !isCurrent;
-    const body = (_jsxs(_Fragment, { children: [_jsx("div", { style: {
-                    ...MARK_HOLDER_STYLE,
-                    transform: lit ? 'scale(1.08) rotate(-6deg)' : 'none',
-                }, children: _jsx(SiteMark, { site: site }) }), _jsxs("div", { style: TEXT_STYLE, children: [_jsxs("div", { style: NAME_STYLE, children: [_jsxs("span", { children: [_jsx("span", { style: { color: site.brand }, children: site.name.lead }), site.name.dot ? _jsx("span", { style: { color: '#8a96a3' }, children: "." }) : null, _jsx("span", { style: { color: site.brandAlt }, children: site.name.alt })] }), isCurrent ? (_jsx("span", { style: { ...HERE_STYLE, color: site.brandAlt }, children: "you are here" })) : null] }), _jsx("div", { style: TAGLINE_STYLE, children: site.tagline })] })] }));
-    const style = {
-        ...TILE_STYLE,
-        background: tint(site, isCurrent, lit),
-        borderColor: borderOf(site, isCurrent, lit),
-        transform: lit ? 'translateY(-1px)' : 'none',
-        cursor: isCurrent ? 'default' : 'pointer',
-    };
-    if (isCurrent)
-        return _jsx("div", { style: style, children: body });
-    return (_jsx("a", { style: style, href: siteUrl(site), title: site.host, target: "_blank", rel: "noreferrer", onMouseEnter: () => {
-            onHover(site.id);
-        }, onMouseLeave: () => {
-            onHover(null);
-        }, onFocus: () => {
-            onHover(site.id);
-        }, onBlur: () => {
-            onHover(null);
-        }, children: body }));
-}
-// A tile lights up in the colour of the site it opens, never in ours: the
-// pointer moving down the grid is what makes the ten pairs of colours read.
-function tint(site, isCurrent, lit) {
-    if (isCurrent)
-        return '#f5f7fa';
-    return lit ? `color-mix(in oklab, ${site.brand} 9%, white)` : 'transparent';
-}
-function borderOf(site, isCurrent, lit) {
-    if (isCurrent)
-        return '#dfe3e8';
-    return lit ? `color-mix(in oklab, ${site.brand} 32%, white)` : 'transparent';
+    return (_jsxs("div", { className: "ecosystem-menu", style: PANEL_STYLE, children: [_jsx("div", { style: HEADING_STYLE, children: "Our other tools, all in the browser" }), _jsx("div", { style: GRID_STYLE, children: ECOSYSTEM_SITES.map((site) => (_jsx(SiteTile, { site: site, isCurrent: site.id === currentSiteId, isHovered: hovered === site.id, onHover: setHovered, newTab: true }, site.id))) })] }));
 }
 //# sourceMappingURL=EcosystemMenu.js.map

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package/lib/ecosystem/ui/SiteTile.d.ts

@@ -0,0 +1,34 @@
+import type { ReactElement } from 'react';
+import type { EcosystemSite, SiteId } from '../core/sites.ts';
+export interface SiteTileProps {
+    /** The site the tile opens. */
+    site: EcosystemSite;
+    /** Whether this is the site the visitor is already on. */
+    isCurrent: boolean;
+    /**
+     * Whether the pointer is on it, which lights it in its own colour.
+     * @default false
+     */
+    isHovered?: boolean;
+    /**
+     * Told which site the pointer moved onto, or null when it left.
+     * @default undefined
+     */
+    onHover?: (id: SiteId | null) => void;
+    /**
+     * Whether the link opens a tab of its own. A menu the visitor opened on
+     * purpose does; a footer does not.
+     * @default false
+     */
+    newTab?: boolean;
+}
+/**
+ * One site: its mark, its name in its own colours, and what it does. The name
+ * and the tagline are real text — that is what a crawler reads to know what it
+ * is following, so neither is ever a `title` attribute.
+ * @param props - The site, whether it is the current or the hovered one, and
+ * how the link opens.
+ * @returns The tile.
+ */
+export declare function SiteTile(props: SiteTileProps): ReactElement;
+//# sourceMappingURL=SiteTile.d.ts.map

package/lib/ecosystem/ui/SiteTile.d.ts.map

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