assembly-symmetry.ts 5.3 KB

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  1. /**
  2. * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
  3. *
  4. * @author Alexander Rose <alexander.rose@weirdbyte.de>
  5. */
  6. import { ParamDefinition as PD } from '../../../../../mol-util/param-definition'
  7. import { AssemblySymmetryProvider, AssemblySymmetry, getSymmetrySelectParam } from '../../../../../mol-model-props/rcsb/assembly-symmetry';
  8. import { PluginBehavior } from '../../../behavior';
  9. import { AssemblySymmetryParams, AssemblySymmetryRepresentation } from '../../../../../mol-model-props/rcsb/representations/assembly-symmetry';
  10. import { AssemblySymmetryClusterColorThemeProvider } from '../../../../../mol-model-props/rcsb/themes/assembly-symmetry-cluster';
  11. import { PluginStateTransform, PluginStateObject } from '../../../../state/objects';
  12. import { Task } from '../../../../../mol-task';
  13. import { PluginContext } from '../../../../context';
  14. import { StateTransformer, StateAction, StateObject } from '../../../../../mol-state';
  15. const Tag = AssemblySymmetry.Tag
  16. export const RCSBAssemblySymmetry = PluginBehavior.create<{ autoAttach: boolean }>({
  17. name: 'rcsb-assembly-symmetry-prop',
  18. category: 'custom-props',
  19. display: { name: 'RCSB Assembly Symmetry' },
  20. ctor: class extends PluginBehavior.Handler<{ autoAttach: boolean }> {
  21. private provider = AssemblySymmetryProvider
  22. register(): void {
  23. this.ctx.state.dataState.actions.add(InitAssemblySymmetry3D)
  24. this.ctx.customStructureProperties.register(this.provider, this.params.autoAttach);
  25. this.ctx.structureRepresentation.themeCtx.colorThemeRegistry.add(Tag.Cluster, AssemblySymmetryClusterColorThemeProvider)
  26. }
  27. update(p: { autoAttach: boolean }) {
  28. let updated = this.params.autoAttach !== p.autoAttach
  29. this.params.autoAttach = p.autoAttach;
  30. this.ctx.customStructureProperties.setDefaultAutoAttach(this.provider.descriptor.name, this.params.autoAttach);
  31. return updated;
  32. }
  33. unregister() {
  34. this.ctx.state.dataState.actions.remove(InitAssemblySymmetry3D)
  35. this.ctx.customStructureProperties.unregister(this.provider.descriptor.name);
  36. this.ctx.structureRepresentation.themeCtx.colorThemeRegistry.remove(Tag.Cluster)
  37. }
  38. },
  39. params: () => ({
  40. autoAttach: PD.Boolean(false),
  41. serverUrl: PD.Text(AssemblySymmetry.DefaultServerUrl)
  42. })
  43. });
  44. const InitAssemblySymmetry3D = StateAction.build({
  45. display: { name: 'RCSB Assembly Symmetry' },
  46. from: PluginStateObject.Molecule.Structure,
  47. isApplicable: (a) => AssemblySymmetry.isApplicable(a.data)
  48. })(({ a, ref, state }, plugin: PluginContext) => Task.create('Init RCSB Assembly Symmetry', async ctx => {
  49. try {
  50. await AssemblySymmetryProvider.attach({ runtime: ctx, fetch: plugin.fetch }, a.data)
  51. } catch(e) {
  52. plugin.log.error(`RCSB Assembly Symmetry: ${e}`)
  53. return
  54. }
  55. const tree = state.build().to(ref).apply(AssemblySymmetry3D);
  56. await state.updateTree(tree).runInContext(ctx);
  57. }));
  58. export { AssemblySymmetry3D }
  59. type AssemblySymmetry3D = typeof AssemblySymmetry3D
  60. const AssemblySymmetry3D = PluginStateTransform.BuiltIn({
  61. name: Tag.Representation,
  62. display: 'RCSB Assembly Symmetry',
  63. from: PluginStateObject.Molecule.Structure,
  64. to: PluginStateObject.Shape.Representation3D,
  65. params: (a) => {
  66. return {
  67. ...AssemblySymmetryParams,
  68. symmetryIndex: getSymmetrySelectParam(a?.data),
  69. }
  70. }
  71. })({
  72. canAutoUpdate({ oldParams, newParams }) {
  73. return true;
  74. },
  75. apply({ a, params }, plugin: PluginContext) {
  76. return Task.create('RCSB Assembly Symmetry', async ctx => {
  77. await AssemblySymmetryProvider.attach({ runtime: ctx, fetch: plugin.fetch }, a.data)
  78. const assemblySymmetry = AssemblySymmetryProvider.get(a.data).value
  79. if (!assemblySymmetry || assemblySymmetry.length === 0) {
  80. return StateObject.Null;
  81. }
  82. const repr = AssemblySymmetryRepresentation({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, () => AssemblySymmetryParams)
  83. await repr.createOrUpdate(params, a.data).runInContext(ctx);
  84. const { type, kind, symbol } = assemblySymmetry![params.symmetryIndex]
  85. return new PluginStateObject.Shape.Representation3D({ repr, source: a }, { label: kind, description: `${type} (${symbol})` });
  86. });
  87. },
  88. update({ a, b, newParams }, plugin: PluginContext) {
  89. return Task.create('RCSB Assembly Symmetry', async ctx => {
  90. await AssemblySymmetryProvider.attach({ runtime: ctx, fetch: plugin.fetch }, a.data)
  91. const assemblySymmetry = AssemblySymmetryProvider.get(a.data).value
  92. if (!assemblySymmetry || assemblySymmetry.length === 0) {
  93. return StateTransformer.UpdateResult.Recreate
  94. }
  95. const props = { ...b.data.repr.props, ...newParams }
  96. await b.data.repr.createOrUpdate(props, a.data).runInContext(ctx);
  97. const { type, kind, symbol } = assemblySymmetry![newParams.symmetryIndex]
  98. b.label = kind
  99. b.description = `${type} (${symbol})`
  100. return StateTransformer.UpdateResult.Updated;
  101. });
  102. },
  103. isApplicable(a) {
  104. return AssemblySymmetry.isApplicable(a.data)
  105. }
  106. });