@ccp-nc/crystvis-js 0.4.13

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Files changed (100) hide show
  1. package/.eslintrc.json +16 -0
  2. package/.github/workflows/test-mocha.yml +30 -0
  3. package/.vscode/settings.json +4 -0
  4. package/LICENSE +21 -0
  5. package/README.html +1127 -0
  6. package/README.md +76 -0
  7. package/demo/demo.css +30 -0
  8. package/demo/index.html +76 -0
  9. package/demo/main.js +143 -0
  10. package/docs/.nojekyll +0 -0
  11. package/docs-tutorials/Events.md +57 -0
  12. package/docs-tutorials/Queries.md +50 -0
  13. package/fonts/Rubik/OFL.txt +93 -0
  14. package/fonts/Rubik/README.txt +77 -0
  15. package/fonts/Rubik/Rubik-Italic-VariableFont_wght.ttf +0 -0
  16. package/fonts/Rubik/Rubik-VariableFont_wght.ttf +0 -0
  17. package/fonts/Rubik/static/Rubik-Black.ttf +0 -0
  18. package/fonts/Rubik/static/Rubik-BlackItalic.ttf +0 -0
  19. package/fonts/Rubik/static/Rubik-Bold.ttf +0 -0
  20. package/fonts/Rubik/static/Rubik-BoldItalic.ttf +0 -0
  21. package/fonts/Rubik/static/Rubik-ExtraBold.ttf +0 -0
  22. package/fonts/Rubik/static/Rubik-ExtraBoldItalic.ttf +0 -0
  23. package/fonts/Rubik/static/Rubik-Italic.ttf +0 -0
  24. package/fonts/Rubik/static/Rubik-Light.ttf +0 -0
  25. package/fonts/Rubik/static/Rubik-LightItalic.ttf +0 -0
  26. package/fonts/Rubik/static/Rubik-Medium.ttf +0 -0
  27. package/fonts/Rubik/static/Rubik-MediumItalic.ttf +0 -0
  28. package/fonts/Rubik/static/Rubik-Regular.ttf +0 -0
  29. package/fonts/Rubik/static/Rubik-SemiBold.ttf +0 -0
  30. package/fonts/Rubik/static/Rubik-SemiBoldItalic.ttf +0 -0
  31. package/index.html +25 -0
  32. package/index.js +11 -0
  33. package/jsconf.json +14 -0
  34. package/lib/assets/fonts/Rubik-Medium.fnt +297 -0
  35. package/lib/assets/fonts/Rubik-Medium.png +0 -0
  36. package/lib/assets/fonts/bmpfonts.in.js +16 -0
  37. package/lib/assets/fonts/bmpfonts.js +9 -0
  38. package/lib/assets/fonts/font.js +82 -0
  39. package/lib/assets/fonts/index.js +14 -0
  40. package/lib/assets/fonts/threebmfont.js +28 -0
  41. package/lib/data.js +125 -0
  42. package/lib/formats/cell.js +114 -0
  43. package/lib/formats/cif.js +22 -0
  44. package/lib/formats/magres.js +337 -0
  45. package/lib/formats/xyz.js +124 -0
  46. package/lib/loader.js +87 -0
  47. package/lib/model.js +2076 -0
  48. package/lib/modelview.js +382 -0
  49. package/lib/nmrdata.js +2898 -0
  50. package/lib/orbit.js +1233 -0
  51. package/lib/primitives/atoms.js +261 -0
  52. package/lib/primitives/cell.js +160 -0
  53. package/lib/primitives/dither.js +156 -0
  54. package/lib/primitives/ellipsoid.js +183 -0
  55. package/lib/primitives/geometries.js +20 -0
  56. package/lib/primitives/index.js +48 -0
  57. package/lib/primitives/isosurface.js +171 -0
  58. package/lib/primitives/shapes.js +100 -0
  59. package/lib/primitives/sprites.js +172 -0
  60. package/lib/query.js +158 -0
  61. package/lib/render.js +440 -0
  62. package/lib/selbox.js +361 -0
  63. package/lib/shaders/aura.frag +26 -0
  64. package/lib/shaders/aura.vert +37 -0
  65. package/lib/shaders/dither.frag +42 -0
  66. package/lib/shaders/dither.vert +8 -0
  67. package/lib/shaders/index.in.js +17 -0
  68. package/lib/shaders/index.js +25 -0
  69. package/lib/shaders/msdf300.frag +25 -0
  70. package/lib/shaders/msdf300.vert +45 -0
  71. package/lib/tensor.js +227 -0
  72. package/lib/utils.js +168 -0
  73. package/lib/visualizer.js +480 -0
  74. package/package.json +106 -0
  75. package/scripts/build-bundle.js +17 -0
  76. package/scripts/build-fonts.js +43 -0
  77. package/scripts/build-resources.js +46 -0
  78. package/scripts/plugins-shim.js +10 -0
  79. package/test/chemdata.js +69 -0
  80. package/test/data/CHA.cif +74 -0
  81. package/test/data/H2O.xyz +8 -0
  82. package/test/data/H2_bound.xyz +4 -0
  83. package/test/data/ethanol.cell +25 -0
  84. package/test/data/ethanol.magres +238 -0
  85. package/test/data/example_single.cif +789 -0
  86. package/test/data/frac.cell +8 -0
  87. package/test/data/org.cif +427 -0
  88. package/test/data/pyridine.xyz +13 -0
  89. package/test/data/si8.xyz +10 -0
  90. package/test/loader.js +107 -0
  91. package/test/model.js +368 -0
  92. package/test/query.js +135 -0
  93. package/test/tensor.js +133 -0
  94. package/test/test-html/examples.js +1485 -0
  95. package/test/test-html/index.html +33 -0
  96. package/test/test-html/index.js +279 -0
  97. package/tools/compile_colors.py +120 -0
  98. package/tools/compile_periodic.py +96 -0
  99. package/tools/ptable.json +497 -0
  100. package/tools/test +5844 -0
package/index.html ADDED
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+ <!DOCTYPE html>
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+ <html>
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+ <head>
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+ <meta charset="utf-8">
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+ <meta http-equiv="X-UA-Compatible" content="IE=edge">
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+ <title>CrystVis</title>
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+ <link rel="stylesheet" href="">
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+ </head>
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+ <body>
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+ <div>
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+ <h1>
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+ CrystVis - A JS+WebGL visualizer for crystal structures
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+ </h1>
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+
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+ <p>
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+ For tests, click <a href="test/test-html/index.html">here</a>.
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+ </p>
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+
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+ <p>
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+ For demo, click <a href="demo/">here</a>.
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+ </p>
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+
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+ </div>
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+ </body>
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+ </html>
package/index.js ADDED
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+ 'use strict';
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+
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+ import {
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+ CrystVis
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+ } from './lib/visualizer.js';
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+
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+ export {
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+ CrystVis
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+ }
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+
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+ export default CrystVis;
package/jsconf.json ADDED
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+ {
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+ "source": {
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+ "include": ["README.md", "index.js", "lib/visualizer.js", "lib/model.js",
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+ "lib/modelview.js"]
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+ },
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+ "opts": {
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+ "encoding": "utf8",
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+ "template": "node_modules/clean-jsdoc-theme",
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+ "theme_opts": {
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+ "theme": "dark"
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+ }
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+ },
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+ "plugins": ["plugins/markdown"]
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+ }
package/lib/assets/fonts/Rubik-Medium.fnt ADDED
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+ <?xml version="1.0"?>
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+ <font>
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+ <info face="Rubik-Medium" size="42" bold="0" italic="0" charset="" unicode="1" stretchH="100" smooth="1" aa="1" padding="2,2,2,2" spacing="0,0"/>
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+ <common lineHeight="50" base="41" scaleW="512" scaleH="512" pages="1" packed="0" alphaChnl="0" redChnl="0" greenChnl="0" blueChnl="0"/>
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+ <pages>
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+ <page id="0" file="Rubik-Medium.png"/>
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+ </pages>
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+ <distanceField fieldType="msdf" distanceRange="4"/>
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+ <kerning first="123" second="57" amount="-1"/>
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+ <kerning first="123" second="123" amount="-1"/>
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+ <kerning first="125" second="41" amount="-1"/>
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+ </kernings>
297
+ </font>
package/lib/assets/fonts/bmpfonts.in.js ADDED
@@ -0,0 +1,16 @@
1
+ 'use strict';
2
+
3
+ // This file is necessary because esbuild has issues taking care of these imports
4
+ // at compile time... so we pre-build a version of this file with the resources
5
+ // inside as data URIs using the scripts/build-resources.js script. It can also
6
+ // be called as:
7
+ //
8
+ // npm run build-resources
9
+
10
+ import rubikMediumFont from './Rubik-Medium.fnt';
11
+ import rubikMediumTexture from './Rubik-Medium.png';
12
+
13
+ export {
14
+ rubikMediumFont,
15
+ rubikMediumTexture
16
+ }