react-cheminfo 0.68.0 → 0.69.0

package/lib/credits/core/credits.d.ts

@@ -114,17 +114,65 @@ export declare const CREDITS: readonly [{
     readonly href: "https://github.com/mljs/spectra-processing";
     readonly description: "the array and spectrum operations the data goes through.";
     readonly license: "MIT";
+}, {
+    readonly id: "ml-distance";
+    readonly name: "ml-distance";
+    readonly href: "https://github.com/mljs/distance";
+    readonly description: "the distance and similarity measures spectra are compared by.";
+    readonly license: "MIT";
+}, {
+    readonly id: "spectrum-generator";
+    readonly name: "spectrum-generator";
+    readonly href: "https://github.com/cheminfo/spectrum-generator";
+    readonly description: "turns a list of bands into a broadened spectrum.";
+    readonly license: "MIT";
+}, {
+    readonly id: "ir-spectrum";
+    readonly name: "ir-spectrum";
+    readonly href: "https://github.com/cheminfo/ir-spectrum";
+    readonly description: "reads infrared spectra from JCAMP-DX, SPC and text files.";
+    readonly license: "MIT";
+}, {
+    readonly id: "raman-spectrum";
+    readonly name: "raman-spectrum";
+    readonly href: "https://github.com/cheminfo/raman-spectrum";
+    readonly description: "reads Raman spectra, Renishaw WDF files included.";
+    readonly license: "MIT";
+}, {
+    readonly id: "spc-parser";
+    readonly name: "spc-parser";
+    readonly href: "https://github.com/cheminfo/spc-parser";
+    readonly description: "reads the SPC files of Thermo Galactic GRAMS, Shimadzu and PerkinElmer.";
+    readonly license: "MIT";
 }, {
     readonly id: "occ";
     readonly name: "OCC";
     readonly href: "https://github.com/peterspackman/occ";
     readonly description: "the GFN2-xTB implementation the refined geometries and energies come from.";
     readonly license: "GPL-3.0";
+}, {
+    readonly id: "xtb";
+    readonly name: "xtb";
+    readonly href: "https://github.com/grimme-lab/xtb";
+    readonly description: "the reference GFN2-xTB program of the Grimme group, which the results are checked against.";
+    readonly license: "LGPL-3.0-or-later";
 }, {
     readonly id: "xtb-wasm";
     readonly name: "xtb-wasm";
     readonly href: "https://github.com/cheminfo/xtb-wasm";
     readonly description: "GFN2-xTB compiled to WebAssembly, driven from a pool of web workers.";
+    readonly license: "GPL-3.0-or-later";
+}, {
+    readonly id: "ase";
+    readonly name: "ASE";
+    readonly href: "https://gitlab.com/ase/ase";
+    readonly description: "the bond-polarizability Raman model and its parameter tables, from the Atomic Simulation Environment.";
+    readonly license: "LGPL-2.1-or-later";
+}, {
+    readonly id: "xtbservice";
+    readonly name: "xtbservice";
+    readonly href: "https://github.com/cheminfo-py/xtbservice";
+    readonly description: "the curated teaching collections of molecules, and the guided tour through them.";
     readonly license: "MIT";
 }, {
     readonly id: "molstar";
@@ -162,6 +210,12 @@ export declare const CREDITS: readonly [{
     readonly href: "https://nivo.rocks/";
     readonly description: "draws the charts — the curves, the diagrams and the axes.";
     readonly license: "MIT";
+}, {
+    readonly id: "react-plot";
+    readonly name: "react-plot";
+    readonly href: "https://github.com/zakodium-oss/react-plot";
+    readonly description: "the SVG plots a spectrum is drawn and zoomed in.";
+    readonly license: "MIT";
 }, {
     readonly id: "mathjax";
     readonly name: "MathJax";

package/lib/credits/core/credits.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"credits.d.ts","sourceRoot":"","sources":["../../../src/credits/core/credits.ts"],"names":[],"mappings":"AAAA,wCAAwC;AACxC,MAAM,WAAW,WAAW;IAC1B,iDAAiD;IACjD,EAAE,EAAE,MAAM,CAAC;IACX,qEAAqE;IACrE,IAAI,EAAE,MAAM,CAAC;IACb,4BAA4B;IAC5B,IAAI,EAAE,MAAM,CAAC;IACb,8CAA8C;IAC9C,WAAW,EAAE,MAAM,CAAC;IACpB;;;OAGG;IACH,OAAO,CAAC,EAAE,MAAM,CAAC;CAClB;AAED,qCAAqC;AACrC,MAAM,MAAM,QAAQ,GAAG,CAAC,OAAO,OAAO,CAAC,CAAC,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC;AAEtD;;;;;;;;;GASG;AACH,wBAAgB,OAAO,CAAC,GAAG,EAAE,SAAS,QAAQ,EAAE,GAAG,WAAW,EAAE,CAU/D;AAED;;;;GAIG;AACH,wBAAgB,QAAQ,CAAC,EAAE,EAAE,MAAM,GAAG,WAAW,GAAG,SAAS,CAE5D;AAED;;;GAGG;AACH,eAAO,MAAM,OAAO;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;EAwWuB,CAAC"}

package/lib/credits/core/credits.js

@@ -122,6 +122,41 @@ export const CREDITS = [
         description: 'the array and spectrum operations the data goes through.',
         license: 'MIT',
     },
+    {
+        id: 'ml-distance',
+        name: 'ml-distance',
+        href: 'https://github.com/mljs/distance',
+        description: 'the distance and similarity measures spectra are compared by.',
+        license: 'MIT',
+    },
+    {
+        id: 'spectrum-generator',
+        name: 'spectrum-generator',
+        href: 'https://github.com/cheminfo/spectrum-generator',
+        description: 'turns a list of bands into a broadened spectrum.',
+        license: 'MIT',
+    },
+    {
+        id: 'ir-spectrum',
+        name: 'ir-spectrum',
+        href: 'https://github.com/cheminfo/ir-spectrum',
+        description: 'reads infrared spectra from JCAMP-DX, SPC and text files.',
+        license: 'MIT',
+    },
+    {
+        id: 'raman-spectrum',
+        name: 'raman-spectrum',
+        href: 'https://github.com/cheminfo/raman-spectrum',
+        description: 'reads Raman spectra, Renishaw WDF files included.',
+        license: 'MIT',
+    },
+    {
+        id: 'spc-parser',
+        name: 'spc-parser',
+        href: 'https://github.com/cheminfo/spc-parser',
+        description: 'reads the SPC files of Thermo Galactic GRAMS, Shimadzu and PerkinElmer.',
+        license: 'MIT',
+    },
     {
         id: 'occ',
         name: 'OCC',
@@ -129,11 +164,32 @@ export const CREDITS = [
         description: 'the GFN2-xTB implementation the refined geometries and energies come from.',
         license: 'GPL-3.0',
     },
+    {
+        id: 'xtb',
+        name: 'xtb',
+        href: 'https://github.com/grimme-lab/xtb',
+        description: 'the reference GFN2-xTB program of the Grimme group, which the results are checked against.',
+        license: 'LGPL-3.0-or-later',
+    },
     {
         id: 'xtb-wasm',
         name: 'xtb-wasm',
         href: 'https://github.com/cheminfo/xtb-wasm',
         description: 'GFN2-xTB compiled to WebAssembly, driven from a pool of web workers.',
+        license: 'GPL-3.0-or-later',
+    },
+    {
+        id: 'ase',
+        name: 'ASE',
+        href: 'https://gitlab.com/ase/ase',
+        description: 'the bond-polarizability Raman model and its parameter tables, from the Atomic Simulation Environment.',
+        license: 'LGPL-2.1-or-later',
+    },
+    {
+        id: 'xtbservice',
+        name: 'xtbservice',
+        href: 'https://github.com/cheminfo-py/xtbservice',
+        description: 'the curated teaching collections of molecules, and the guided tour through them.',
         license: 'MIT',
     },
     {
@@ -178,6 +234,13 @@ export const CREDITS = [
         description: 'draws the charts — the curves, the diagrams and the axes.',
         license: 'MIT',
     },
+    {
+        id: 'react-plot',
+        name: 'react-plot',
+        href: 'https://github.com/zakodium-oss/react-plot',
+        description: 'the SVG plots a spectrum is drawn and zoomed in.',
+        license: 'MIT',
+    },
     {
         id: 'mathjax',
         name: 'MathJax',

package/lib/credits/core/credits.js.map

@@ -1 +1 @@
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package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "react-cheminfo",
-  "version": "0.68.0",
+  "version": "0.69.0",
   "license": "MIT",
   "description": "React components, hooks and framework-free helpers shared by the cheminfo sites: site chrome, citations, sharing, routing, pedagogy, charts, and the structure, orbital and 3D molecule viewers",
   "author": "Luc Patiny",

package/src/credits/core/credits.ts

@@ -150,6 +150,43 @@ export const CREDITS = [
     description: 'the array and spectrum operations the data goes through.',
     license: 'MIT',
   },
+  {
+    id: 'ml-distance',
+    name: 'ml-distance',
+    href: 'https://github.com/mljs/distance',
+    description:
+      'the distance and similarity measures spectra are compared by.',
+    license: 'MIT',
+  },
+  {
+    id: 'spectrum-generator',
+    name: 'spectrum-generator',
+    href: 'https://github.com/cheminfo/spectrum-generator',
+    description: 'turns a list of bands into a broadened spectrum.',
+    license: 'MIT',
+  },
+  {
+    id: 'ir-spectrum',
+    name: 'ir-spectrum',
+    href: 'https://github.com/cheminfo/ir-spectrum',
+    description: 'reads infrared spectra from JCAMP-DX, SPC and text files.',
+    license: 'MIT',
+  },
+  {
+    id: 'raman-spectrum',
+    name: 'raman-spectrum',
+    href: 'https://github.com/cheminfo/raman-spectrum',
+    description: 'reads Raman spectra, Renishaw WDF files included.',
+    license: 'MIT',
+  },
+  {
+    id: 'spc-parser',
+    name: 'spc-parser',
+    href: 'https://github.com/cheminfo/spc-parser',
+    description:
+      'reads the SPC files of Thermo Galactic GRAMS, Shimadzu and PerkinElmer.',
+    license: 'MIT',
+  },
   {
     id: 'occ',
     name: 'OCC',
@@ -158,12 +195,36 @@ export const CREDITS = [
       'the GFN2-xTB implementation the refined geometries and energies come from.',
     license: 'GPL-3.0',
   },
+  {
+    id: 'xtb',
+    name: 'xtb',
+    href: 'https://github.com/grimme-lab/xtb',
+    description:
+      'the reference GFN2-xTB program of the Grimme group, which the results are checked against.',
+    license: 'LGPL-3.0-or-later',
+  },
   {
     id: 'xtb-wasm',
     name: 'xtb-wasm',
     href: 'https://github.com/cheminfo/xtb-wasm',
     description:
       'GFN2-xTB compiled to WebAssembly, driven from a pool of web workers.',
+    license: 'GPL-3.0-or-later',
+  },
+  {
+    id: 'ase',
+    name: 'ASE',
+    href: 'https://gitlab.com/ase/ase',
+    description:
+      'the bond-polarizability Raman model and its parameter tables, from the Atomic Simulation Environment.',
+    license: 'LGPL-2.1-or-later',
+  },
+  {
+    id: 'xtbservice',
+    name: 'xtbservice',
+    href: 'https://github.com/cheminfo-py/xtbservice',
+    description:
+      'the curated teaching collections of molecules, and the guided tour through them.',
     license: 'MIT',
   },
   {
@@ -210,6 +271,13 @@ export const CREDITS = [
     description: 'draws the charts — the curves, the diagrams and the axes.',
     license: 'MIT',
   },
+  {
+    id: 'react-plot',
+    name: 'react-plot',
+    href: 'https://github.com/zakodium-oss/react-plot',
+    description: 'the SVG plots a spectrum is drawn and zoomed in.',
+    license: 'MIT',
+  },
   {
     id: 'mathjax',
     name: 'MathJax',

package/styles/chrome.css

@@ -93,10 +93,16 @@ button {
   max-width: none;
 }
 
+/* The brand is the way home, so it answers the pointer like every other link in
+   the bar: the neutral wash, on a box whose negative margin keeps the mark
+   over the first word of the page. */
 .brand {
   display: flex;
   min-width: 0;
   align-items: center;
+  padding: 0.25rem 0.5rem;
+  margin-inline: -0.5rem;
+  border-radius: 8px;
   color: var(--text);
   font-weight: 700;
   gap: 0.55rem;
@@ -104,6 +110,7 @@ button {
 }
 
 .brand:hover {
+  background: var(--surface-sunken);
   color: var(--text);
   text-decoration: none;
 }