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