@mat3ra/esse 2026.8.25-2 → 2026.8.31-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +2 -2
- package/dist/js/schema/context_providers_directory/by_application/nwchem_total_energy_context_provider.json +4 -0
- package/dist/js/schema/job.json +4 -0
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +4 -0
- package/dist/js/schema/property/holder.json +4 -0
- package/dist/js/schema/software_directory/modeling/unit/execution.json +4 -0
- package/dist/js/schema/software_directory/scripting/unit/execution.json +4 -0
- package/dist/js/schema/workflow/base.json +4 -0
- package/dist/js/schema/workflow/subworkflow/mixin.json +4 -0
- package/dist/js/schema/workflow/subworkflow/unit.json +4 -0
- package/dist/js/schema/workflow/subworkflow.json +4 -0
- package/dist/js/schema/workflow/unit/context/item/input.json +4 -0
- package/dist/js/schema/workflow/unit/context/item.json +4 -0
- package/dist/js/schema/workflow/unit/execution.json +4 -0
- package/dist/js/schema/workflow/unit/mixins/execution.json +4 -0
- package/dist/js/schema/workflow.json +4 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/scripts/buildDocsPages.js +33 -3
- package/dist/js/scripts/checkSiteLinks.js +1 -1
- package/dist/js/types.d.ts +60 -0
- package/package.json +1 -1
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@@ -157,6 +157,28 @@ function categorizationSchemesFragment(graph) {
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Entities carrying a tiered \`categories\` field: ${carrierList || "_none_"}.`;
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}
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/**
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* The three relation kinds, with their ontological reading alongside the JSON Schema
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* keyword that expresses each. Counts come from the graph, so the prose calling these
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* "the familiar ontological relations" cannot drift from what the corpus declares.
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*/
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function ontologyRelationsFragment(graph) {
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const kinds = [
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["`extends`", "`allOf`", "**is a** (subsumption)", "extends"],
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["`contains`", "`properties` / `items`", "**has a** (composition)", "contains"],
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["`variant`", "`oneOf` / `anyOf`", "**is one of** (disjunction)", "variant"],
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];
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const counts = graph.meta.edgeCountsByKind;
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const rows = kinds.map(([relation, keyword, reading, key]) => [
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relation,
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keyword,
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reading,
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String(counts[key]),
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]);
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return `${table(["Relation", "Declared by", "Reads as", "Edges"], rows)}
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Across ${graph.meta.nodeCount} entity types, ${graph.meta.edgeCount} declared relationships.`;
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}
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function layerInventoryFragment(graph) {
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const rows = Object.entries(graph.meta.layerCounts)
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.sort((a, b) => b[1] - a[1])
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@@ -186,6 +208,8 @@ function expandFragments(body, graph) {
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]);
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case "layer-inventory":
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return layerInventoryFragment(graph);
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case "ontology-relations":
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return ontologyRelationsFragment(graph);
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case "categorization-schemes":
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return categorizationSchemesFragment(graph);
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case "hub-table":
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@@ -215,18 +239,19 @@ function renderPage(page, pages, html) {
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<head>
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<meta charset="UTF-8">
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<meta name="viewport" content="width=device-width, initial-scale=1.0">
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<title>${escapeHtml(page.title)} —
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<title>${escapeHtml(page.title)} — AI4Materials</title>
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<meta name="description" content="${escapeHtml(page.summary)}">
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<link rel="stylesheet" href="docs.css">
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</head>
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<body>
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<div id="titlebar">
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<span class="app-name">
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<span class="app-name">AI4Materials<span class="app-name-suffix">: data standards</span></span>
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<nav id="surfaces">
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<a href="index.html" class="current">Docs</a>
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<a href="../index.html">Explorer</a>
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<a href="../map/index.html">
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<a href="../map/index.html">Ontology</a>
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</nav>
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<span id="titlebar-tagline">ESSE · materials science ontology</span>
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</div>
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<div id="workspace">
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<aside id="docs-nav">
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@@ -283,10 +308,15 @@ body {
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z-index: 5;
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}
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#titlebar .app-name { color: var(--text-primary); font-weight: 600; }
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/* Completes the wordmark so the name never reads as a dangling fragment. */
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#titlebar .app-name-suffix { color: var(--text-muted); font-weight: 400; }
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@media (max-width: 700px) { #titlebar .app-name-suffix { display: none; } }
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#surfaces { display: flex; gap: 14px; }
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#surfaces a { color: var(--text-muted); text-decoration: none; }
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#surfaces a:hover { color: var(--text-primary); }
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#surfaces a.current { color: var(--text-primary); border-bottom: 2px solid var(--accent); }
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#titlebar-tagline { margin-left: auto; color: var(--text-muted); }
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@media (max-width: 640px) { #titlebar-tagline { display: none; } }
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#workspace { display: flex; flex: 1; align-items: flex-start; }
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#docs-nav {
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width: 250px;
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@@ -8,7 +8,7 @@ exports.checkSiteLinks = checkSiteLinks;
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* Verifies that every internal link in the assembled site resolves.
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*
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* The site is stitched together from four sources — resolved schemas, the concept docs, the
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* explorer and the
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* explorer and the ontology map — each of which links into the others. Nothing else checks that
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* those links land anywhere, and a stale href is invisible until someone clicks it.
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*
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* External URLs are not fetched; this is a build step, not a crawler.
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package/dist/js/types.d.ts
CHANGED
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@@ -3078,6 +3078,10 @@ export interface NWChemTotalEnergyContextProviderSchema {
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* Whether atomic positions are expressed in cartesian coordinates.
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*/
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CARTESIAN: boolean;
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/**
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* Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart.
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*/
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RESTART?: boolean;
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}
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/** Schema dist/js/schema/context_providers_directory/by_application/qe_neb_context_provider.json */
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/**
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* Whether atomic positions are expressed in cartesian coordinates.
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*/
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/**
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* Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart.
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*/
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RESTART?: boolean;
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} | {
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IBRAV: number;
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RESTART_MODE: "from_scratch" | "restart";
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*/
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CARTESIAN: boolean;
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/**
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* Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart.
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*/
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} | {
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IBRAV: number;
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RESTART_MODE: "from_scratch" | "restart";
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*/
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/**
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* Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart.
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*/
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} | {
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RESTART_MODE: "from_scratch" | "restart";
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*/
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/**
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* Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart.
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*/
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} | {
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/**
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* Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart.
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/**
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*/
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*/
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*/
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package/package.json
CHANGED