From 5dcd443499a46baf2cdeb5832a59450d463539c3 Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Wed, 13 Sep 2023 01:08:35 +0200 Subject: [PATCH 01/10] minor: add link to refs --- src/routes/roadmap/+page.md | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/src/routes/roadmap/+page.md b/src/routes/roadmap/+page.md index 12284bd..1cbc7e2 100644 --- a/src/routes/roadmap/+page.md +++ b/src/routes/roadmap/+page.md @@ -41,4 +41,10 @@ displaying several structures/grid: https://github.com/molstar/molstar/discussions/475 Display/load a specific chain: -https://github.com/molstar/molstar/discussions/909 \ No newline at end of file +https://github.com/molstar/molstar/discussions/909 + +Edit and save a structure: +https://github.com/molstar/molstar/issues/464 + +Difference between `Model` and `Structure`: +https://github.com/molstar/molstar/issues/443#issuecomment-1164502033 \ No newline at end of file From 361f65aa488d7bba53b366b713da7732d37f7b16 Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Wed, 13 Sep 2023 22:17:56 +0200 Subject: [PATCH 02/10] minor: readme --- README.md | 17 +++++------------ 1 file changed, 5 insertions(+), 12 deletions(-) diff --git a/README.md b/README.md index 9e34c38..1d62e30 100644 --- a/README.md +++ b/README.md @@ -11,17 +11,13 @@ The components are designed to be used in a [Svelte](https://svelte.dev) applica [https://0gust1.github.io/molstar-svelte/](https://0gust1.github.io/molstar-svelte/) -## Developing +## Development Install the dependencies... ```bash # we use npm ci to install the pinned dependencies from package-lock.json npm ci -``` - - -```bash npm run dev # or start the server and open the app in a new browser tab @@ -46,13 +42,10 @@ npm run build You can preview the production build with `npm run preview`. -## Publishing +## Updating the documentation/showcase -Website/doc deploymen is done through github actions. +Website/doc deployment is done through github actions, on push on `master` -**TODO:** -package publishing is not yet automated. +## Publishing -```bash -npm publish -``` +Publishing is done through github actions, on release creation on `master`. From 274e4e6a6a75a595f1da787215c57f19dcd7ac43 Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Wed, 13 Sep 2023 22:18:39 +0200 Subject: [PATCH 03/10] feat: new element - load a structure and select one of its chain --- src/lib/elements/StructureURLChain.svelte | 65 +++++++++++++++++++++++ 1 file changed, 65 insertions(+) create mode 100644 src/lib/elements/StructureURLChain.svelte diff --git a/src/lib/elements/StructureURLChain.svelte b/src/lib/elements/StructureURLChain.svelte new file mode 100644 index 0000000..9004701 --- /dev/null +++ b/src/lib/elements/StructureURLChain.svelte @@ -0,0 +1,65 @@ + From ca9632c2c090e526881c6450b6df6af1e9a2866d Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Wed, 13 Sep 2023 22:19:12 +0200 Subject: [PATCH 04/10] refactor: elements demo + URLchain POC --- .../components/simple-elements/+page.md | 57 ++++++++++++++----- .../{WrapperEmpty.svelte => DemoEmpty.svelte} | 0 .../{WrapperRCSB.svelte => DemoRCSB.svelte} | 0 .../{WrapperURL.svelte => DemoURL.svelte} | 0 .../simple-elements/DemoURLChain.svelte | 37 ++++++++++++ 5 files changed, 81 insertions(+), 13 deletions(-) rename src/routes/components/simple-elements/{WrapperEmpty.svelte => DemoEmpty.svelte} (100%) rename src/routes/components/simple-elements/{WrapperRCSB.svelte => DemoRCSB.svelte} (100%) rename src/routes/components/simple-elements/{WrapperURL.svelte => DemoURL.svelte} (100%) create mode 100644 src/routes/components/simple-elements/DemoURLChain.svelte diff --git a/src/routes/components/simple-elements/+page.md b/src/routes/components/simple-elements/+page.md index 224aa3b..e95b962 100644 --- a/src/routes/components/simple-elements/+page.md +++ b/src/routes/components/simple-elements/+page.md @@ -1,19 +1,24 @@ # SimpleWrapper + elements @@ -36,7 +49,7 @@ ## Wrapper with `StructureRCSB.svelte`
-{wrapperRCSBRaw}
+{demoRCSBRaw}
 
@@ -44,7 +57,7 @@ ### PdbID, with one instance {#if browser} - {#await loadComponentWrapperWithPDB() then MolstarComp} + {#await loadComponentDemoWithPDB() then MolstarComp} {/await} {/if} @@ -52,7 +65,7 @@ ### PdbID, with several instances (reactive) {#if browser} - {#await loadComponentWrapperWithPDB() then MolstarComp} + {#await loadComponentDemoWithPDB() then MolstarComp} {/await} {/if} @@ -60,13 +73,13 @@ ## Wrapper with `StructureURL.svelte`
-{wrapperURLRaw}
+{demoURLRaw}
 
### URL, with one instance {#if browser} - {#await loadComponentWrapperWithURLs() then MolstarComp} + {#await loadComponentDemoWithURLs() then MolstarComp} {/await} {/if} @@ -74,7 +87,25 @@ ### URL, with several instances (reactive) (todo: fix this, some problems with the reactive part/each keyed loop) {#if browser} - {#await loadComponentWrapperWithURLs() then MolstarComp} + {#await loadComponentDemoWithURLs() then MolstarComp} {/await} +{/if} + +### URLChain one instance + +{#if browser} + {#await loadComponentDemoWithURLChains() then MolstarComp} + + {/await} +{/if} + +### URLChain several instances + +(Q07011 structures) + +{#if browser} + {#await loadComponentDemoWithURLChains() then MolstarComp} + + {/await} {/if} \ No newline at end of file diff --git a/src/routes/components/simple-elements/WrapperEmpty.svelte b/src/routes/components/simple-elements/DemoEmpty.svelte similarity index 100% rename from src/routes/components/simple-elements/WrapperEmpty.svelte rename to src/routes/components/simple-elements/DemoEmpty.svelte diff --git a/src/routes/components/simple-elements/WrapperRCSB.svelte b/src/routes/components/simple-elements/DemoRCSB.svelte similarity index 100% rename from src/routes/components/simple-elements/WrapperRCSB.svelte rename to src/routes/components/simple-elements/DemoRCSB.svelte diff --git a/src/routes/components/simple-elements/WrapperURL.svelte b/src/routes/components/simple-elements/DemoURL.svelte similarity index 100% rename from src/routes/components/simple-elements/WrapperURL.svelte rename to src/routes/components/simple-elements/DemoURL.svelte diff --git a/src/routes/components/simple-elements/DemoURLChain.svelte b/src/routes/components/simple-elements/DemoURLChain.svelte new file mode 100644 index 0000000..2efe9c1 --- /dev/null +++ b/src/routes/components/simple-elements/DemoURLChain.svelte @@ -0,0 +1,37 @@ + + +

+ Selected: {selectedStructuresURLs.map((e) => e.url).join(', ')} +

+ + + {#each selectedStructuresURLs as structureURL (`${structureURL.url}-${structureURL.type}`)} + + {/each} + + +{#if structuresURLs.length > 1} + +{/if} From 8de680c4e041b914d3866dee85984b9bc96ccabf Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Wed, 13 Sep 2023 22:19:29 +0200 Subject: [PATCH 05/10] minor: roadmap update --- src/routes/roadmap/+page.md | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/routes/roadmap/+page.md b/src/routes/roadmap/+page.md index 1cbc7e2..a91ec06 100644 --- a/src/routes/roadmap/+page.md +++ b/src/routes/roadmap/+page.md @@ -9,10 +9,14 @@ More sophisticated design (like component factories / programmaic components) co **NB:** Molstar-wise, we actually [use the PluginContext without the builtin React-UI](https://molstar.org/docs/plugin/#plugincontext-without-built-in-react-ui). ## Roadmap + +(wip, and order relevance is relative :) ) + - [x] ~~create a simple wrapper component~~ - [ ] put it in action in this doc and other projects, refine the API and styling (wrapper) concerns (outside plugin) - [ ] create a set of controls components (button-bar, debug ui, etc.), refine styling concerns (outside plugin) - [ ] refine the API around representation and coloring (in plugin) +- [ ] A drag and drop component to load a file (most common formats, including `ply`). - [ ] explore a dedicated synchronized grid component - [ ] explore a dedicated superposition component From f9525c7110a1bd6abdc82dbc9f359d6eceb02bc6 Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Thu, 14 Sep 2023 19:01:31 +0200 Subject: [PATCH 06/10] chore: update deps, and fix readme badges alt text --- README.md | 2 +- package-lock.json | 2711 +++++++++++++++++++++++++++++++-------------- 2 files changed, 1858 insertions(+), 855 deletions(-) diff --git a/README.md b/README.md index 1d62e30..20a1fc4 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ This is a collection of [Svelte](https://svelte.dev) components for [Mol\*](http The goal is to provide a set of composable components that can be used to build web applications/components/websites providing visualization and analysis of biomolecular structures. The components are designed to be used in a [Svelte](https://svelte.dev) application, ~~but could be used in any framework that supports [Web Components](https://developer.mozilla.org/en-US/docs/Web/Web_Components)~~ (later). -![example event parameter](https://github.com/0gust1/molstar-svelte/actions/workflows/build.yml/badge.svg?event=push) ![example event parameter](https://github.com/0gust1/molstar-svelte/actions/workflows/deploy.yml/badge.svg?event=push) ![example event parameter](https://github.com/0gust1/molstar-svelte/actions/workflows/publish.yml/badge.svg?event=release) +![build status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/build.yml/badge.svg?event=push) ![deploy status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/deploy.yml/badge.svg?event=push) ![publish status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/publish.yml/badge.svg?event=release) ## Documentation / showcase diff --git a/package-lock.json b/package-lock.json index 383596c..98bc6bf 100644 --- a/package-lock.json +++ b/package-lock.json @@ -42,16 +42,18 @@ }, "node_modules/@aashutoshrathi/word-wrap": { "version": "1.2.6", + "resolved": "https://registry.npmjs.org/@aashutoshrathi/word-wrap/-/word-wrap-1.2.6.tgz", + "integrity": "sha512-1Yjs2SvM8TflER/OD3cOjhWWOZb58A2t7wpE2S9XfBYTiIl+XFhQG2bjy4Pu1I+EAlCNUzRDYDdFwFYUKvXcIA==", "dev": true, - "license": "MIT", "engines": { "node": ">=0.10.0" } }, "node_modules/@alloc/quick-lru": { "version": "5.2.0", + "resolved": "https://registry.npmjs.org/@alloc/quick-lru/-/quick-lru-5.2.0.tgz", + "integrity": "sha512-UrcABB+4bUrFABwbluTIBErXwvbsU/V7TZWfmbgJfbkwiBuziS9gxdODUyuiecfdGQ85jglMW6juS3+z5TsKLw==", "dev": true, - "license": "MIT", "engines": { "node": ">=10" }, @@ -61,8 +63,9 @@ }, "node_modules/@ampproject/remapping": { "version": "2.2.1", + "resolved": "https://registry.npmjs.org/@ampproject/remapping/-/remapping-2.2.1.tgz", + "integrity": 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package-lock.json | 2348 +++++++++++++++++++++++++++++++-- package.json | 6 +- 4 files changed, 2285 insertions(+), 88 deletions(-) create mode 100644 .changeset/config.json create mode 100644 .changeset/great-suns-clap.md diff --git a/.changeset/config.json b/.changeset/config.json new file mode 100644 index 0000000..4f07b3c --- /dev/null +++ b/.changeset/config.json @@ -0,0 +1,14 @@ +{ + "$schema": "https://unpkg.com/@changesets/config@2.3.1/schema.json", + "changelog": [ + "@svitejs/changesets-changelog-github-compact", + { "repo": "0gust1/molstar-svelte" } + ], + "commit": false, + "fixed": [], + "linked": [], + "access": "public", + "baseBranch": "main", + "updateInternalDependencies": "patch", + "ignore": [] +} diff --git a/.changeset/great-suns-clap.md b/.changeset/great-suns-clap.md new file mode 100644 index 0000000..92d3fd1 --- /dev/null +++ b/.changeset/great-suns-clap.md @@ -0,0 +1,5 @@ +--- +'molstar-svelte': patch +--- + +Add chain loading (rough) diff --git 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"https://registry.npmjs.org/unpipe/-/unpipe-1.0.0.tgz", @@ -7920,6 +10013,16 @@ "node": ">= 0.4.0" } }, + "node_modules/validate-npm-package-license": { + "version": "3.0.4", + "resolved": "https://registry.npmjs.org/validate-npm-package-license/-/validate-npm-package-license-3.0.4.tgz", + "integrity": "sha512-DpKm2Ui/xN7/HQKCtpZxoRWBhZ9Z0kqtygG8XCgNQ8ZlDnxuQmWhj566j8fN4Cu3/JmbhsDo7fcAJq4s9h27Ew==", + "dev": true, + "dependencies": { + "spdx-correct": "^3.0.0", + "spdx-expression-parse": "^3.0.0" + } + }, "node_modules/vary": { "version": "1.1.2", "resolved": "https://registry.npmjs.org/vary/-/vary-1.1.2.tgz", @@ -8112,17 +10215,24 @@ } } }, + "node_modules/wcwidth": { + "version": "1.0.1", + "resolved": "https://registry.npmjs.org/wcwidth/-/wcwidth-1.0.1.tgz", + "integrity": "sha512-XHPEwS0q6TaxcvG85+8EYkbiCux2XtWG2mkc47Ng2A77BQu9+DqIOJldST4HgPkuea7dvKSj5VgX3P1d4rW8Tg==", + "dev": true, + "dependencies": { + "defaults": "^1.0.3" + } + }, "node_modules/webidl-conversions": { "version": 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"^1.1.0", @@ -8159,11 +10268,29 @@ "url": "https://github.com/sponsors/ljharb" } }, + "node_modules/which-module": { + "version": "2.0.1", + "resolved": "https://registry.npmjs.org/which-module/-/which-module-2.0.1.tgz", + "integrity": "sha512-iBdZ57RDvnOR9AGBhML2vFZf7h8vmBjhoaZqODJBFWHVtKkDmKuHai3cx5PgVMrX5YDNp27AofYbAwctSS+vhQ==", + "dev": true + }, + "node_modules/which-pm": { + "version": "2.0.0", + "resolved": "https://registry.npmjs.org/which-pm/-/which-pm-2.0.0.tgz", + "integrity": "sha512-Lhs9Pmyph0p5n5Z3mVnN0yWcbQYUAD7rbQUiMsQxOJ3T57k7RFe35SUwWMf7dsbDZks1uOmw4AecB/JMDj3v/w==", + "dev": true, + "dependencies": { + "load-yaml-file": "^0.2.0", + "path-exists": "^4.0.0" + }, + "engines": { + "node": ">=8.15" + } + }, "node_modules/which-typed-array": { "version": "1.1.11", "resolved": "https://registry.npmjs.org/which-typed-array/-/which-typed-array-1.1.11.tgz", "integrity": "sha512-qe9UWWpkeG5yzZ0tNYxDmd7vo58HDBc39mZ0xWWpolAGADdFOzkfamWLDxkOWcvHQKVmdTyQdLD4NOfjLWTKew==", - "peer": true, "dependencies": { "available-typed-arrays": "^1.0.5", "call-bind": "^1.0.2", @@ -8333,6 +10460,15 @@ "node": ">=0.4" } }, + "node_modules/y18n": { + "version": "5.0.8", + "resolved": "https://registry.npmjs.org/y18n/-/y18n-5.0.8.tgz", + "integrity": "sha512-0pfFzegeDWJHJIAmTLRP2DwHjdF5s7jo9tuztdQxAhINCdvS+3nGINqPd00AphqJR/0LhANUS6/+7SCb98YOfA==", + "dev": true, + "engines": { + "node": ">=10" + } + }, "node_modules/yallist": { "version": "4.0.0", "resolved": "https://registry.npmjs.org/yallist/-/yallist-4.0.0.tgz", @@ -8348,6 +10484,46 @@ "node": ">= 6" } }, + "node_modules/yargs": { + "version": "17.7.2", + "resolved": "https://registry.npmjs.org/yargs/-/yargs-17.7.2.tgz", + "integrity": "sha512-7dSzzRQ++CKnNI/krKnYRV7JKKPUXMEh61soaHKg9mrWEhzFWhFnxPxGl+69cD1Ou63C13NUPCnmIcrvqCuM6w==", + "dev": true, + "dependencies": { + "cliui": "^8.0.1", + "escalade": "^3.1.1", + "get-caller-file": "^2.0.5", + "require-directory": "^2.1.1", + "string-width": "^4.2.3", + "y18n": "^5.0.5", + "yargs-parser": "^21.1.1" + }, + "engines": { + "node": ">=12" + } + }, + "node_modules/yargs-parser": { + "version": "18.1.3", + "resolved": "https://registry.npmjs.org/yargs-parser/-/yargs-parser-18.1.3.tgz", + "integrity": "sha512-o50j0JeToy/4K6OZcaQmW6lyXXKhq7csREXcDwk2omFPJEwUNOVtJKvmDr9EI1fAJZUyZcRF7kxGBWmRXudrCQ==", + "dev": true, + "dependencies": { + "camelcase": "^5.0.0", + "decamelize": "^1.2.0" + }, + "engines": { + "node": ">=6" + } + }, + "node_modules/yargs/node_modules/yargs-parser": { + "version": "21.1.1", + "resolved": "https://registry.npmjs.org/yargs-parser/-/yargs-parser-21.1.1.tgz", + "integrity": "sha512-tVpsJW7DdjecAiFpbIB1e3qxIQsE6NoPc5/eTdrbbIC4h0LVsWhnoa3g+m2HclBIujHzsxZ4VJVA+GUuc2/LBw==", + "dev": true, + "engines": { + "node": ">=12" + } + }, "node_modules/yocto-queue": { "version": "0.1.0", "resolved": "https://registry.npmjs.org/yocto-queue/-/yocto-queue-0.1.0.tgz", diff --git a/package.json b/package.json index c0decdd..82060d5 100644 --- a/package.json +++ b/package.json @@ -39,15 +39,17 @@ ], "license": "MIT", "peerDependencies": { - "svelte": "^4.0.0", - "molstar": "^3.39.0" + "molstar": "^3.39.0", + "svelte": "^4.0.0" }, "devDependencies": { + "@changesets/cli": "^2.26.2", "@playwright/test": "^1.28.1", "@sveltejs/adapter-auto": "^2.0.0", "@sveltejs/adapter-static": "^2.0.3", "@sveltejs/kit": "^1.20.4", "@sveltejs/package": "^2.0.0", + "@svitejs/changesets-changelog-github-compact": "^1.1.0", "@tailwindcss/forms": "^0.5.6", "@tailwindcss/typography": "^0.5.10", "@typescript-eslint/eslint-plugin": "^5.45.0", From 49dd4aed7f0150ca4dd8f51bef7fdf0df02c362d Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Thu, 14 Sep 2023 22:02:43 +0200 Subject: [PATCH 08/10] doc: Readme update --- README.md | 19 +++++++++++++++---- 1 file changed, 15 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 20a1fc4..2b99ccc 100644 --- a/README.md +++ b/README.md @@ -2,12 +2,23 @@ This is a collection of [Svelte](https://svelte.dev) components for [Mol\*](https://molstar.org) visualizations. -The goal is to provide a set of composable components that can be used to build web applications/components/websites providing visualization and analysis of biomolecular structures. +![build status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/build.yml/badge.svg?event=push) ![deploy status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/deploy.yml/badge.svg?event=push) ![publish status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/publish.yml/badge.svg?event=release) + + +## Goals +- **Provide a set of composable components** that can be used to build web applications, websites or components enabling visualization and analysis of biomolecular structures. +- **Provide a set of examples** of how to use the components in a Svelte application. +- **Keep the components as simple as possible**, and let the user decide how to use them: The goal **is not** to provide a full set of components with extensive Molstar API coverage, but rather a set of building blocks (and examples/inspirations) that can be used to build a custom application. + The components are designed to be used in a [Svelte](https://svelte.dev) application, ~~but could be used in any framework that supports [Web Components](https://developer.mozilla.org/en-US/docs/Web/Web_Components)~~ (later). -![build status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/build.yml/badge.svg?event=push) ![deploy status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/deploy.yml/badge.svg?event=push) ![publish status badge](https://github.com/0gust1/molstar-svelte/actions/workflows/publish.yml/badge.svg?event=release) +## Please Note + +This package is still in early development, and the API is not stable. Until it reaches version 1.0.0, breaking changes may be introduced in any versions. + +__Pin your dependencies__ if you're bold enough to use it! (and drop me a message, I'd love to hear about it!). -## Documentation / showcase +## Getting Started, Documentation, Showcase [https://0gust1.github.io/molstar-svelte/](https://0gust1.github.io/molstar-svelte/) @@ -34,7 +45,7 @@ To build the library: npm run package ``` -To create a production version of the documentation/showcase app: +To build the library and create a production version of the documentation/showcase app: ```bash npm run build From 91fd70a00f687f19eb3f844e8b6d92fe9a75f478 Mon Sep 17 00:00:00 2001 From: Augustin Chassine Date: Thu, 14 Sep 2023 18:55:47 +0200 Subject: [PATCH 09/10] chore: inline docs/comment + demo chain fix --- src/lib/elements/StructureRCSB.svelte | 4 ++++ src/lib/elements/StructureURL.svelte | 6 ++++++ src/lib/elements/StructureURLChain.svelte | 6 ++++++ src/routes/components/simple-elements/DemoURLChain.svelte | 2 +- 4 files changed, 17 insertions(+), 1 deletion(-) diff --git a/src/lib/elements/StructureRCSB.svelte b/src/lib/elements/StructureRCSB.svelte index d39d597..38ee0ea 100644 --- a/src/lib/elements/StructureRCSB.svelte +++ b/src/lib/elements/StructureRCSB.svelte @@ -1,4 +1,8 @@