molstar 3.0.0 → 3.0.1
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/LICENSE +20 -20
- package/README.md +194 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/viewer/app.js +6 -3
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/viewer/app.d.ts +3 -3
- package/lib/commonjs/apps/viewer/app.js +8 -5
- package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
- package/lib/commonjs/extensions/cellpack/representation.d.ts +2 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +5 -5
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -3
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/base.d.ts +5 -5
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -2
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +4 -4
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
- package/lib/commonjs/mol-gl/renderer.js +3 -3
- package/lib/commonjs/mol-gl/scene.d.ts +1 -1
- package/lib/commonjs/mol-model/loci.d.ts +20 -20
- package/lib/commonjs/mol-model/shape/shape.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +2 -2
- package/lib/commonjs/mol-model/structure/structure/unit.d.ts +4 -4
- package/lib/commonjs/mol-model/volume/volume.d.ts +7 -0
- package/lib/commonjs/mol-model/volume/volume.js +18 -0
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +6 -6
- package/lib/commonjs/mol-model-props/computed/interactions/common.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/interactions/common.js +16 -24
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +2 -2
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -3
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -4
- package/lib/commonjs/mol-model-props/sequence/themes/best-database-mapping.d.ts +2 -2
- package/lib/commonjs/mol-plugin/behavior/behavior.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/representation.d.ts +2 -2
- package/lib/commonjs/mol-plugin/behavior/dynamic/selection/structure-focus-representation.d.ts +1 -1
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/behavior.d.ts +4 -4
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/transformers.d.ts +4 -4
- package/lib/commonjs/mol-plugin/commands.d.ts +2 -2
- package/lib/commonjs/mol-plugin/config.d.ts +1 -1
- package/lib/commonjs/mol-plugin/layout.d.ts +4 -4
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -3
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/volume.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/actions/volume.js +3 -3
- package/lib/commonjs/mol-plugin-state/animation/built-in/model-index.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy-preset.d.ts +11 -11
- package/lib/commonjs/mol-plugin-state/builder/structure/hierarchy.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/builder/structure/representation-preset.d.ts +35 -13
- package/lib/commonjs/mol-plugin-state/builder/structure/representation.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/formats/volume.d.ts +10 -10
- package/lib/commonjs/mol-plugin-state/formats/volume.js +1 -11
- package/lib/commonjs/mol-plugin-state/helpers/root-structure.d.ts +5 -5
- package/lib/commonjs/mol-plugin-state/helpers/structure-component.d.ts +2 -2
- package/lib/commonjs/mol-plugin-state/manager/interactivity.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/manager/structure/component.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/data.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/model.d.ts +7 -7
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +13 -13
- package/lib/commonjs/mol-plugin-ui/structure/measurements.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/selection.d.ts +1 -1
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/common.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/distance.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/label.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +2 -2
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -1
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +7 -7
- package/lib/commonjs/mol-repr/structure/params.d.ts +10 -10
- package/lib/commonjs/mol-repr/structure/registry.d.ts +25 -25
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +6 -6
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +6 -6
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +9 -9
- package/lib/commonjs/mol-repr/structure/representation/gaussian-volume.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/label.d.ts +9 -9
- package/lib/commonjs/mol-repr/structure/representation/line.d.ts +9 -9
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +9 -9
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/point.d.ts +6 -6
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +10 -10
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +4 -4
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +4 -4
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-line.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-cross.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/element-point.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +12 -12
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/label-text.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +3 -3
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -2
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/util/bond.d.ts +7 -7
- package/lib/commonjs/mol-repr/structure/visual/util/bond.js +5 -4
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -1
- package/lib/commonjs/mol-repr/volume/direct-volume.d.ts +6 -6
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +12 -12
- package/lib/commonjs/mol-repr/volume/registry.d.ts +8 -8
- package/lib/commonjs/mol-repr/volume/representation.d.ts +1 -1
- package/lib/commonjs/mol-repr/volume/slice.d.ts +12 -12
- package/lib/commonjs/mol-theme/color/atom-id.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/chain-id.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/element-index.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/element-symbol.d.ts +44 -0
- package/lib/commonjs/mol-theme/color/element-symbol.js +15 -10
- package/lib/commonjs/mol-theme/color/entity-id.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/entity-id.js +14 -11
- package/lib/commonjs/mol-theme/color/entity-source.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/illustrative.d.ts +36 -36
- package/lib/commonjs/mol-theme/color/model-index.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/operator-hkl.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/operator-name.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/polymer-id.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/polymer-index.d.ts +2 -2
- package/lib/commonjs/mol-theme/color/unit-index.d.ts +2 -2
- package/lib/commonjs/mol-theme/color.d.ts +51 -29
- package/lib/commonjs/mol-util/clip.d.ts +1 -1
- package/lib/commonjs/mol-util/color/palette.d.ts +3 -3
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -2
- package/lib/mol-canvas3d/helper/interaction-events.js +1 -1
- package/lib/mol-canvas3d/passes/draw.d.ts +1 -1
- package/lib/mol-canvas3d/passes/draw.js +3 -3
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-gl/renderer.d.ts +2 -2
- package/lib/mol-gl/renderer.js +3 -3
- package/lib/mol-model/structure/model/properties/coarse/hierarchy.d.ts +1 -1
- package/lib/mol-model/structure/model/properties/coarse/hierarchy.js +24 -2
- package/lib/mol-model/volume/volume.d.ts +7 -0
- package/lib/mol-model/volume/volume.js +18 -0
- package/lib/mol-model-props/computed/interactions/common.d.ts +1 -1
- package/lib/mol-model-props/computed/interactions/common.js +16 -24
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -1
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.js +44 -18
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.js +14 -4
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/volume.d.ts +1 -1
- package/lib/mol-plugin-state/actions/volume.js +3 -3
- package/lib/mol-plugin-state/builder/structure/representation-preset.d.ts +27 -5
- package/lib/mol-plugin-state/formats/volume.js +1 -11
- package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +127 -127
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-repr/structure/visual/util/bond.d.ts +1 -1
- package/lib/mol-repr/structure/visual/util/bond.js +5 -4
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/lib/mol-theme/color/element-symbol.d.ts +46 -2
- package/lib/mol-theme/color/element-symbol.js +15 -10
- package/lib/mol-theme/color/entity-id.js +14 -11
- package/lib/mol-theme/color/illustrative.d.ts +32 -32
- package/lib/mol-theme/color.d.ts +39 -17
- package/lib/servers/volume/config.js +3 -3
- package/lib/servers/volume/query.js +1 -1
- package/package.json +160 -163
- package/lib/commonjs/apps/docking-viewer/index.js +0 -253
- package/lib/commonjs/apps/docking-viewer/viewport.js +0 -326
- package/lib/commonjs/cli/chem-comp-dict/create-ions.d.ts +0 -7
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +0 -68
- package/lib/commonjs/cli/chem-comp-dict/create-table.d.ts +0 -7
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +0 -282
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +0 -146
- package/lib/commonjs/cli/chem-comp-dict/util.js +0 -144
- package/lib/commonjs/cli/cif2bcif/converter.d.ts +0 -8
- package/lib/commonjs/cli/cif2bcif/converter.js +0 -187
- package/lib/commonjs/cli/cif2bcif/index.d.ts +0 -8
- package/lib/commonjs/cli/cif2bcif/index.js +0 -81
- package/lib/commonjs/cli/cifschema/index.d.ts +0 -7
- package/lib/commonjs/cli/cifschema/index.js +0 -397
- package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +0 -11
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +0 -456
- package/lib/commonjs/cli/cifschema/util/generate.d.ts +0 -7
- package/lib/commonjs/cli/cifschema/util/generate.js +0 -158
- package/lib/commonjs/cli/cifschema/util/helper.d.ts +0 -10
- package/lib/commonjs/cli/cifschema/util/helper.js +0 -22
- package/lib/commonjs/cli/cifschema/util/schema.d.ts +0 -70
- package/lib/commonjs/cli/cifschema/util/schema.js +0 -64
- package/lib/commonjs/cli/lipid-params/index.d.ts +0 -7
- package/lib/commonjs/cli/lipid-params/index.js +0 -104
- package/lib/commonjs/cli/state-docs/index.js +0 -64
- package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -80
- package/lib/commonjs/cli/structure-info/helpers.d.ts +0 -7
- package/lib/commonjs/cli/structure-info/helpers.js +0 -92
- package/lib/commonjs/cli/structure-info/model.js +0 -336
- package/lib/commonjs/cli/structure-info/volume.js +0 -115
- package/lib/commonjs/examples/alpha-orbitals/controls.js +0 -25
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -60260
- package/lib/commonjs/examples/alpha-orbitals/index.js +0 -230
- package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -31
- package/lib/commonjs/examples/basic-wrapper/controls.js +0 -23
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -49
- package/lib/commonjs/examples/basic-wrapper/index.js +0 -265
- package/lib/commonjs/examples/basic-wrapper/superposition.js +0 -191
- package/lib/commonjs/examples/domain-annotation-server/mapping.d.ts +0 -6
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +0 -111
- package/lib/commonjs/examples/domain-annotation-server/schemas.d.ts +0 -103
- package/lib/commonjs/examples/domain-annotation-server/schemas.js +0 -73
- package/lib/commonjs/examples/domain-annotation-server/server.d.ts +0 -6
- package/lib/commonjs/examples/domain-annotation-server/server.js +0 -65
- package/lib/commonjs/examples/domain-annotation-server/test.d.ts +0 -6
- package/lib/commonjs/examples/domain-annotation-server/test.js +0 -28
- package/lib/commonjs/examples/lighting/index.js +0 -145
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +0 -88
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +0 -97
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +0 -109
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +0 -498
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +0 -19
- package/lib/commonjs/examples/task.d.ts +0 -19
- package/lib/commonjs/examples/task.js +0 -221
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +0 -134
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +0 -69
- package/lib/commonjs/extensions/alpha-orbitals/density.js +0 -113
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +0 -157
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.d.ts +0 -7
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +0 -11
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +0 -121
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Object.defineProperty(exports, "__esModule", { value: true });
|
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8
|
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exports.AssemblySymmetryProvider = exports.AssemblySymmetryParams = exports.AssemblySymmetryDataProvider = exports.AssemblySymmetryDataParams = exports.getSymmetrySelectParam = exports.AssemblySymmetry = exports.isBiologicalAssembly = void 0;
|
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9
|
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var tslib_1 = require("tslib");
|
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10
|
-
var symmetry_gql_1 = require("../graphql/symmetry.gql");
|
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11
|
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var param_definition_1 = require("../../../mol-util/param-definition");
|
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12
|
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var structure_1 = require("../../../mol-model/structure");
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13
|
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var db_1 = require("../../../mol-data/db");
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14
|
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var graphql_client_1 = require("../../../mol-util/graphql-client");
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15
|
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var custom_structure_property_1 = require("../../../mol-model-props/common/custom-structure-property");
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16
|
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var mmcif_1 = require("../../../mol-model-formats/structure/mmcif");
|
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17
|
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var set_1 = require("../../../mol-util/set");
|
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18
|
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var builder_1 = require("../../../mol-script/language/builder");
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19
|
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var compiler_1 = require("../../../mol-script/runtime/query/compiler");
|
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20
|
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var custom_property_1 = require("../../../mol-model/custom-property");
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21
|
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var BiologicalAssemblyNames = new Set([
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22
|
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'author_and_software_defined_assembly',
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'author_defined_assembly',
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'complete icosahedral assembly',
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'complete point assembly',
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'representative helical assembly',
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'software_defined_assembly'
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28
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]);
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function isBiologicalAssembly(structure) {
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var _a;
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31
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if (!mmcif_1.MmcifFormat.is(structure.models[0].sourceData))
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return false;
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var mmcif = structure.models[0].sourceData.data.db;
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if (!mmcif.pdbx_struct_assembly.details.isDefined)
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return false;
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var id = ((_a = structure.units[0].conformation.operator.assembly) === null || _a === void 0 ? void 0 : _a.id) || '';
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|
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if (id === '')
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return true;
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var indices = db_1.Column.indicesOf(mmcif.pdbx_struct_assembly.id, function (e) { return e === id; });
|
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|
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if (indices.length !== 1)
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return false;
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|
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var details = mmcif.pdbx_struct_assembly.details.value(indices[0]);
|
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|
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return BiologicalAssemblyNames.has(details);
|
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44
|
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}
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|
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exports.isBiologicalAssembly = isBiologicalAssembly;
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|
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var AssemblySymmetry;
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47
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(function (AssemblySymmetry) {
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48
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var Tag;
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49
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(function (Tag) {
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50
|
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Tag["Cluster"] = "rcsb-assembly-symmetry-cluster";
|
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51
|
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Tag["Representation"] = "rcsb-assembly-symmetry-3d";
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|
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})(Tag = AssemblySymmetry.Tag || (AssemblySymmetry.Tag = {}));
|
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AssemblySymmetry.DefaultServerUrl = 'https://data.rcsb.org/graphql';
|
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|
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function isApplicable(structure) {
|
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55
|
-
return (!!structure && structure.models.length === 1 &&
|
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56
|
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structure_1.Model.hasPdbId(structure.models[0]) &&
|
|
57
|
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isBiologicalAssembly(structure));
|
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58
|
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}
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|
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AssemblySymmetry.isApplicable = isApplicable;
|
|
60
|
-
function fetch(ctx, structure, props) {
|
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61
|
-
var _a, _b;
|
|
62
|
-
return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
|
|
63
|
-
var client, variables, result, value;
|
|
64
|
-
return (0, tslib_1.__generator)(this, function (_c) {
|
|
65
|
-
switch (_c.label) {
|
|
66
|
-
case 0:
|
|
67
|
-
if (!isApplicable(structure))
|
|
68
|
-
return [2 /*return*/, { value: [] }];
|
|
69
|
-
client = new graphql_client_1.GraphQLClient(props.serverUrl, ctx.assetManager);
|
|
70
|
-
variables = {
|
|
71
|
-
assembly_id: ((_a = structure.units[0].conformation.operator.assembly) === null || _a === void 0 ? void 0 : _a.id) || '',
|
|
72
|
-
entry_id: structure.units[0].model.entryId
|
|
73
|
-
};
|
|
74
|
-
return [4 /*yield*/, client.request(ctx.runtime, symmetry_gql_1.symmetry_gql, variables)];
|
|
75
|
-
case 1:
|
|
76
|
-
result = _c.sent();
|
|
77
|
-
value = [];
|
|
78
|
-
if (!((_b = result.data.assembly) === null || _b === void 0 ? void 0 : _b.rcsb_struct_symmetry)) {
|
|
79
|
-
console.error('expected `rcsb_struct_symmetry` field');
|
|
80
|
-
}
|
|
81
|
-
else {
|
|
82
|
-
value = result.data.assembly.rcsb_struct_symmetry;
|
|
83
|
-
}
|
|
84
|
-
return [2 /*return*/, { value: value, assets: [result] }];
|
|
85
|
-
}
|
|
86
|
-
});
|
|
87
|
-
});
|
|
88
|
-
}
|
|
89
|
-
AssemblySymmetry.fetch = fetch;
|
|
90
|
-
/** Returns the index of the first non C1 symmetry or -1 */
|
|
91
|
-
function firstNonC1(assemblySymmetryData) {
|
|
92
|
-
for (var i = 0, il = assemblySymmetryData.length; i < il; ++i) {
|
|
93
|
-
if (assemblySymmetryData[i].symbol !== 'C1')
|
|
94
|
-
return i;
|
|
95
|
-
}
|
|
96
|
-
return -1;
|
|
97
|
-
}
|
|
98
|
-
AssemblySymmetry.firstNonC1 = firstNonC1;
|
|
99
|
-
function isRotationAxes(x) {
|
|
100
|
-
return !!x && x.length > 0;
|
|
101
|
-
}
|
|
102
|
-
AssemblySymmetry.isRotationAxes = isRotationAxes;
|
|
103
|
-
function getAsymIds(assemblySymmetry) {
|
|
104
|
-
var asymIds = new Set();
|
|
105
|
-
for (var _i = 0, _a = assemblySymmetry.clusters; _i < _a.length; _i++) {
|
|
106
|
-
var c = _a[_i];
|
|
107
|
-
if (!(c === null || c === void 0 ? void 0 : c.members))
|
|
108
|
-
continue;
|
|
109
|
-
for (var _b = 0, _c = c.members; _b < _c.length; _b++) {
|
|
110
|
-
var m = _c[_b];
|
|
111
|
-
if (m === null || m === void 0 ? void 0 : m.asym_id)
|
|
112
|
-
asymIds.add(m.asym_id);
|
|
113
|
-
}
|
|
114
|
-
}
|
|
115
|
-
return set_1.SetUtils.toArray(asymIds);
|
|
116
|
-
}
|
|
117
|
-
AssemblySymmetry.getAsymIds = getAsymIds;
|
|
118
|
-
function getAsymIdsStructure(structure, asymIds) {
|
|
119
|
-
var query = builder_1.MolScriptBuilder.struct.modifier.union([
|
|
120
|
-
builder_1.MolScriptBuilder.struct.generator.atomGroups({
|
|
121
|
-
'chain-test': builder_1.MolScriptBuilder.core.set.has([builder_1.MolScriptBuilder.set.apply(builder_1.MolScriptBuilder, asymIds), builder_1.MolScriptBuilder.ammp('label_asym_id')])
|
|
122
|
-
})
|
|
123
|
-
]);
|
|
124
|
-
var compiled = (0, compiler_1.compile)(query);
|
|
125
|
-
var result = compiled(new structure_1.QueryContext(structure));
|
|
126
|
-
return structure_1.StructureSelection.unionStructure(result);
|
|
127
|
-
}
|
|
128
|
-
/** Returns structure limited to all cluster member chains */
|
|
129
|
-
function getStructure(structure, assemblySymmetry) {
|
|
130
|
-
var asymIds = AssemblySymmetry.getAsymIds(assemblySymmetry);
|
|
131
|
-
return asymIds.length > 0 ? getAsymIdsStructure(structure, asymIds) : structure;
|
|
132
|
-
}
|
|
133
|
-
AssemblySymmetry.getStructure = getStructure;
|
|
134
|
-
})(AssemblySymmetry = exports.AssemblySymmetry || (exports.AssemblySymmetry = {}));
|
|
135
|
-
function getSymmetrySelectParam(structure) {
|
|
136
|
-
var param = param_definition_1.ParamDefinition.Select(0, [[0, 'First Symmetry']]);
|
|
137
|
-
if (structure) {
|
|
138
|
-
var assemblySymmetryData = exports.AssemblySymmetryDataProvider.get(structure).value;
|
|
139
|
-
if (assemblySymmetryData) {
|
|
140
|
-
var options = [
|
|
141
|
-
[-1, 'Off']
|
|
142
|
-
];
|
|
143
|
-
for (var i = 0, il = assemblySymmetryData.length; i < il; ++i) {
|
|
144
|
-
var _a = assemblySymmetryData[i], symbol = _a.symbol, kind = _a.kind;
|
|
145
|
-
if (symbol !== 'C1') {
|
|
146
|
-
options.push([i, "".concat(i + 1, ": ").concat(symbol, " ").concat(kind)]);
|
|
147
|
-
}
|
|
148
|
-
}
|
|
149
|
-
if (options.length > 1) {
|
|
150
|
-
param.options = options;
|
|
151
|
-
param.defaultValue = options[1][0];
|
|
152
|
-
}
|
|
153
|
-
else {
|
|
154
|
-
options.length = 0;
|
|
155
|
-
}
|
|
156
|
-
}
|
|
157
|
-
}
|
|
158
|
-
return param;
|
|
159
|
-
}
|
|
160
|
-
exports.getSymmetrySelectParam = getSymmetrySelectParam;
|
|
161
|
-
//
|
|
162
|
-
exports.AssemblySymmetryDataParams = {
|
|
163
|
-
serverUrl: param_definition_1.ParamDefinition.Text(AssemblySymmetry.DefaultServerUrl, { description: 'GraphQL endpoint URL' })
|
|
164
|
-
};
|
|
165
|
-
exports.AssemblySymmetryDataProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
|
|
166
|
-
label: 'Assembly Symmetry Data',
|
|
167
|
-
descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
|
|
168
|
-
name: 'rcsb_struct_symmetry_data',
|
|
169
|
-
// TODO `cifExport` and `symbol`
|
|
170
|
-
}),
|
|
171
|
-
type: 'root',
|
|
172
|
-
defaultParams: exports.AssemblySymmetryDataParams,
|
|
173
|
-
getParams: function (data) { return exports.AssemblySymmetryDataParams; },
|
|
174
|
-
isApplicable: function (data) { return AssemblySymmetry.isApplicable(data); },
|
|
175
|
-
obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
|
|
176
|
-
var p;
|
|
177
|
-
return (0, tslib_1.__generator)(this, function (_a) {
|
|
178
|
-
switch (_a.label) {
|
|
179
|
-
case 0:
|
|
180
|
-
p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.AssemblySymmetryDataParams)), props);
|
|
181
|
-
return [4 /*yield*/, AssemblySymmetry.fetch(ctx, data, p)];
|
|
182
|
-
case 1: return [2 /*return*/, _a.sent()];
|
|
183
|
-
}
|
|
184
|
-
});
|
|
185
|
-
}); }
|
|
186
|
-
});
|
|
187
|
-
//
|
|
188
|
-
function getAssemblySymmetryParams(data) {
|
|
189
|
-
return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, exports.AssemblySymmetryDataParams), { symmetryIndex: getSymmetrySelectParam(data) });
|
|
190
|
-
}
|
|
191
|
-
exports.AssemblySymmetryParams = getAssemblySymmetryParams();
|
|
192
|
-
exports.AssemblySymmetryProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
|
|
193
|
-
label: 'Assembly Symmetry',
|
|
194
|
-
descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
|
|
195
|
-
name: 'rcsb_struct_symmetry',
|
|
196
|
-
// TODO `cifExport` and `symbol`
|
|
197
|
-
}),
|
|
198
|
-
type: 'root',
|
|
199
|
-
defaultParams: exports.AssemblySymmetryParams,
|
|
200
|
-
getParams: getAssemblySymmetryParams,
|
|
201
|
-
isApplicable: function (data) { return AssemblySymmetry.isApplicable(data); },
|
|
202
|
-
obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
|
|
203
|
-
var p, assemblySymmetryData, assemblySymmetry;
|
|
204
|
-
return (0, tslib_1.__generator)(this, function (_a) {
|
|
205
|
-
switch (_a.label) {
|
|
206
|
-
case 0:
|
|
207
|
-
p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(getAssemblySymmetryParams(data))), props);
|
|
208
|
-
return [4 /*yield*/, exports.AssemblySymmetryDataProvider.attach(ctx, data, p)];
|
|
209
|
-
case 1:
|
|
210
|
-
_a.sent();
|
|
211
|
-
assemblySymmetryData = exports.AssemblySymmetryDataProvider.get(data).value;
|
|
212
|
-
assemblySymmetry = assemblySymmetryData === null || assemblySymmetryData === void 0 ? void 0 : assemblySymmetryData[p.symmetryIndex];
|
|
213
|
-
if (!assemblySymmetry)
|
|
214
|
-
new Error("No assembly symmetry found for index ".concat(p.symmetryIndex));
|
|
215
|
-
return [2 /*return*/, { value: assemblySymmetry }];
|
|
216
|
-
}
|
|
217
|
-
});
|
|
218
|
-
}); }
|
|
219
|
-
});
|
|
220
|
-
//# sourceMappingURL=prop.js.map
|
|
@@ -1,363 +0,0 @@
|
|
|
1
|
-
"use strict";
|
|
2
|
-
/**
|
|
3
|
-
* Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
|
-
*
|
|
5
|
-
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
|
-
*/
|
|
7
|
-
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.AssemblySymmetryRepresentation = exports.AssemblySymmetryParams = void 0;
|
|
9
|
-
var tslib_1 = require("tslib");
|
|
10
|
-
var param_definition_1 = require("../../../mol-util/param-definition");
|
|
11
|
-
var prop_1 = require("./prop");
|
|
12
|
-
var mesh_builder_1 = require("../../../mol-geo/geometry/mesh/mesh-builder");
|
|
13
|
-
var linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
|
14
|
-
var cylinder_1 = require("../../../mol-geo/geometry/mesh/builder/cylinder");
|
|
15
|
-
var mesh_1 = require("../../../mol-geo/geometry/mesh/mesh");
|
|
16
|
-
var shape_1 = require("../../../mol-model/shape");
|
|
17
|
-
var names_1 = require("../../../mol-util/color/names");
|
|
18
|
-
var representation_1 = require("../../../mol-repr/shape/representation");
|
|
19
|
-
var marker_action_1 = require("../../../mol-util/marker-action");
|
|
20
|
-
var prism_1 = require("../../../mol-geo/primitive/prism");
|
|
21
|
-
var wedge_1 = require("../../../mol-geo/primitive/wedge");
|
|
22
|
-
var primitive_1 = require("../../../mol-geo/primitive/primitive");
|
|
23
|
-
var memoize_1 = require("../../../mol-util/memoize");
|
|
24
|
-
var polygon_1 = require("../../../mol-geo/primitive/polygon");
|
|
25
|
-
var color_1 = require("../../../mol-util/color");
|
|
26
|
-
var legend_1 = require("../../../mol-util/legend");
|
|
27
|
-
var representation_2 = require("../../../mol-repr/representation");
|
|
28
|
-
var cage_1 = require("../../../mol-geo/primitive/cage");
|
|
29
|
-
var octahedron_1 = require("../../../mol-geo/primitive/octahedron");
|
|
30
|
-
var tetrahedron_1 = require("../../../mol-geo/primitive/tetrahedron");
|
|
31
|
-
var icosahedron_1 = require("../../../mol-geo/primitive/icosahedron");
|
|
32
|
-
var misc_1 = require("../../../mol-math/misc");
|
|
33
|
-
var common_1 = require("../../../mol-math/linear-algebra/3d/common");
|
|
34
|
-
var number_1 = require("../../../mol-util/number");
|
|
35
|
-
var geometry_1 = require("../../../mol-math/geometry");
|
|
36
|
-
var OrderColors = (0, color_1.ColorMap)({
|
|
37
|
-
'2': names_1.ColorNames.deepskyblue,
|
|
38
|
-
'3': names_1.ColorNames.lime,
|
|
39
|
-
'N': names_1.ColorNames.red,
|
|
40
|
-
});
|
|
41
|
-
var OrderColorsLegend = (0, legend_1.TableLegend)(Object.keys(OrderColors).map(function (name) {
|
|
42
|
-
return [name, OrderColors[name]];
|
|
43
|
-
}));
|
|
44
|
-
function axesColorHelp(value) {
|
|
45
|
-
return value.name === 'byOrder'
|
|
46
|
-
? { description: 'Color axes by their order', legend: OrderColorsLegend }
|
|
47
|
-
: {};
|
|
48
|
-
}
|
|
49
|
-
var SharedParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, mesh_1.Mesh.Params), { scale: param_definition_1.ParamDefinition.Numeric(2, { min: 0.1, max: 5, step: 0.1 }) });
|
|
50
|
-
var AxesParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { axesColor: param_definition_1.ParamDefinition.MappedStatic('byOrder', {
|
|
51
|
-
byOrder: param_definition_1.ParamDefinition.EmptyGroup(),
|
|
52
|
-
uniform: param_definition_1.ParamDefinition.Group({
|
|
53
|
-
colorValue: param_definition_1.ParamDefinition.Color(names_1.ColorNames.orange),
|
|
54
|
-
}, { isFlat: true })
|
|
55
|
-
}, { help: axesColorHelp }) });
|
|
56
|
-
var CageParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, SharedParams), { cageColor: param_definition_1.ParamDefinition.Color(names_1.ColorNames.orange) });
|
|
57
|
-
var AssemblySymmetryVisuals = {
|
|
58
|
-
// cage should come before 'axes' so that the representative loci uses the cage shape
|
|
59
|
-
'cage': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getCageShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
|
|
60
|
-
'axes': function (ctx, getParams) { return (0, representation_1.ShapeRepresentation)(getAxesShape, mesh_1.Mesh.Utils, { modifyState: function (s) { return ((0, tslib_1.__assign)((0, tslib_1.__assign)({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); } }); },
|
|
61
|
-
};
|
|
62
|
-
exports.AssemblySymmetryParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, AxesParams), CageParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['axes', 'cage'], param_definition_1.ParamDefinition.objectToOptions(AssemblySymmetryVisuals)) });
|
|
63
|
-
//
|
|
64
|
-
function getAssemblyName(s) {
|
|
65
|
-
var _a;
|
|
66
|
-
var id = ((_a = s.units[0].conformation.operator.assembly) === null || _a === void 0 ? void 0 : _a.id) || '';
|
|
67
|
-
return (0, number_1.isInteger)(id) ? "Assembly ".concat(id) : id;
|
|
68
|
-
}
|
|
69
|
-
var t = linear_algebra_1.Mat4.identity();
|
|
70
|
-
var tmpV = (0, linear_algebra_1.Vec3)();
|
|
71
|
-
var tmpCenter = (0, linear_algebra_1.Vec3)();
|
|
72
|
-
var tmpScale = (0, linear_algebra_1.Vec3)();
|
|
73
|
-
var getOrderPrimitive = (0, memoize_1.memoize1)(function (order) {
|
|
74
|
-
if (order < 2) {
|
|
75
|
-
return (0, prism_1.Prism)((0, polygon_1.polygon)(48, false));
|
|
76
|
-
}
|
|
77
|
-
else if (order === 2) {
|
|
78
|
-
var lens = (0, prism_1.Prism)((0, polygon_1.polygon)(48, false));
|
|
79
|
-
var m = linear_algebra_1.Mat4.identity();
|
|
80
|
-
linear_algebra_1.Mat4.scale(m, m, linear_algebra_1.Vec3.create(1, 0.35, 1));
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|
81
|
-
(0, primitive_1.transformPrimitive)(lens, m);
|
|
82
|
-
return lens;
|
|
83
|
-
}
|
|
84
|
-
else if (order === 3) {
|
|
85
|
-
return (0, wedge_1.Wedge)();
|
|
86
|
-
}
|
|
87
|
-
else {
|
|
88
|
-
return (0, prism_1.Prism)((0, polygon_1.polygon)(order, false));
|
|
89
|
-
}
|
|
90
|
-
});
|
|
91
|
-
function getAxesMesh(data, props, mesh) {
|
|
92
|
-
var scale = props.scale;
|
|
93
|
-
var rotation_axes = data.rotation_axes;
|
|
94
|
-
if (!prop_1.AssemblySymmetry.isRotationAxes(rotation_axes))
|
|
95
|
-
return mesh_1.Mesh.createEmpty(mesh);
|
|
96
|
-
var _a = rotation_axes[0], start = _a.start, end = _a.end;
|
|
97
|
-
var radius = (linear_algebra_1.Vec3.distance(start, end) / 500) * scale;
|
|
98
|
-
linear_algebra_1.Vec3.set(tmpScale, radius * 7, radius * 7, radius * 0.4);
|
|
99
|
-
var cylinderProps = { radiusTop: radius, radiusBottom: radius };
|
|
100
|
-
var builderState = mesh_builder_1.MeshBuilder.createState(256, 128, mesh);
|
|
101
|
-
builderState.currentGroup = 0;
|
|
102
|
-
linear_algebra_1.Vec3.scale(tmpCenter, linear_algebra_1.Vec3.add(tmpCenter, start, end), 0.5);
|
|
103
|
-
for (var i = 0, il = rotation_axes.length; i < il; ++i) {
|
|
104
|
-
var _b = rotation_axes[i], order = _b.order, start_1 = _b.start, end_1 = _b.end;
|
|
105
|
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builderState.currentGroup = i;
|
|
106
|
-
(0, cylinder_1.addCylinder)(builderState, start_1, end_1, 1, cylinderProps);
|
|
107
|
-
var primitive = getOrderPrimitive(order);
|
|
108
|
-
if (primitive) {
|
|
109
|
-
linear_algebra_1.Vec3.scale(tmpCenter, linear_algebra_1.Vec3.add(tmpCenter, start_1, end_1), 0.5);
|
|
110
|
-
if (linear_algebra_1.Vec3.dot(linear_algebra_1.Vec3.unitY, linear_algebra_1.Vec3.sub(tmpV, start_1, tmpCenter)) === 0) {
|
|
111
|
-
linear_algebra_1.Mat4.targetTo(t, start_1, tmpCenter, linear_algebra_1.Vec3.unitY);
|
|
112
|
-
}
|
|
113
|
-
else {
|
|
114
|
-
linear_algebra_1.Mat4.targetTo(t, start_1, tmpCenter, linear_algebra_1.Vec3.unitX);
|
|
115
|
-
}
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|
116
|
-
linear_algebra_1.Mat4.scale(t, t, tmpScale);
|
|
117
|
-
linear_algebra_1.Mat4.setTranslation(t, start_1);
|
|
118
|
-
mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, primitive);
|
|
119
|
-
linear_algebra_1.Mat4.setTranslation(t, end_1);
|
|
120
|
-
mesh_builder_1.MeshBuilder.addPrimitive(builderState, t, primitive);
|
|
121
|
-
}
|
|
122
|
-
}
|
|
123
|
-
return mesh_builder_1.MeshBuilder.getMesh(builderState);
|
|
124
|
-
}
|
|
125
|
-
function getAxesShape(ctx, data, props, shape) {
|
|
126
|
-
var assemblySymmetry = prop_1.AssemblySymmetryProvider.get(data).value;
|
|
127
|
-
var geo = getAxesMesh(assemblySymmetry, props, shape && shape.geometry);
|
|
128
|
-
var getColor = function (groupId) {
|
|
129
|
-
var _a;
|
|
130
|
-
if (props.axesColor.name === 'byOrder') {
|
|
131
|
-
var rotation_axes = assemblySymmetry.rotation_axes;
|
|
132
|
-
var order = (_a = rotation_axes[groupId]) === null || _a === void 0 ? void 0 : _a.order;
|
|
133
|
-
if (order === 2)
|
|
134
|
-
return OrderColors[2];
|
|
135
|
-
else if (order === 3)
|
|
136
|
-
return OrderColors[3];
|
|
137
|
-
else
|
|
138
|
-
return OrderColors.N;
|
|
139
|
-
}
|
|
140
|
-
else {
|
|
141
|
-
return props.axesColor.params.colorValue;
|
|
142
|
-
}
|
|
143
|
-
};
|
|
144
|
-
var getLabel = function (groupId) {
|
|
145
|
-
var _a;
|
|
146
|
-
var type = assemblySymmetry.type, symbol = assemblySymmetry.symbol, kind = assemblySymmetry.kind, rotation_axes = assemblySymmetry.rotation_axes;
|
|
147
|
-
var order = (_a = rotation_axes[groupId]) === null || _a === void 0 ? void 0 : _a.order;
|
|
148
|
-
return [
|
|
149
|
-
"<small>".concat(data.model.entryId, "</small>"),
|
|
150
|
-
"<small>".concat(getAssemblyName(data), "</small>"),
|
|
151
|
-
"Axis ".concat(groupId + 1, " with Order ").concat(order, " of ").concat(type, " ").concat(kind, " (").concat(symbol, ")")
|
|
152
|
-
].join(' | ');
|
|
153
|
-
};
|
|
154
|
-
return shape_1.Shape.create('Axes', data, geo, getColor, function () { return 1; }, getLabel);
|
|
155
|
-
}
|
|
156
|
-
//
|
|
157
|
-
var getSymbolCage = (0, memoize_1.memoize1)(function (symbol) {
|
|
158
|
-
if (symbol.startsWith('D') || symbol.startsWith('C')) {
|
|
159
|
-
// z axis is prism axis, x/y axes cut through edge midpoints
|
|
160
|
-
var fold = parseInt(symbol.substr(1));
|
|
161
|
-
var cage = void 0;
|
|
162
|
-
if (fold === 2) {
|
|
163
|
-
cage = (0, prism_1.PrismCage)((0, polygon_1.polygon)(4, false));
|
|
164
|
-
}
|
|
165
|
-
else if (fold === 3) {
|
|
166
|
-
cage = (0, wedge_1.WedgeCage)();
|
|
167
|
-
}
|
|
168
|
-
else if (fold > 3) {
|
|
169
|
-
cage = (0, prism_1.PrismCage)((0, polygon_1.polygon)(fold, false));
|
|
170
|
-
}
|
|
171
|
-
else {
|
|
172
|
-
return;
|
|
173
|
-
}
|
|
174
|
-
if (fold % 2 === 0) {
|
|
175
|
-
return cage;
|
|
176
|
-
}
|
|
177
|
-
else {
|
|
178
|
-
var m = linear_algebra_1.Mat4.identity();
|
|
179
|
-
linear_algebra_1.Mat4.rotate(m, m, 1 / fold * Math.PI / 2, linear_algebra_1.Vec3.unitZ);
|
|
180
|
-
return (0, cage_1.transformCage)((0, cage_1.cloneCage)(cage), m);
|
|
181
|
-
}
|
|
182
|
-
}
|
|
183
|
-
else if (symbol === 'O') {
|
|
184
|
-
// x/y/z axes cut through order 4 vertices
|
|
185
|
-
return (0, octahedron_1.OctahedronCage)();
|
|
186
|
-
}
|
|
187
|
-
else if (symbol === 'I') {
|
|
188
|
-
// z axis cut through order 5 vertex
|
|
189
|
-
// x axis cut through edge midpoint
|
|
190
|
-
var cage = (0, icosahedron_1.IcosahedronCage)();
|
|
191
|
-
var m = linear_algebra_1.Mat4.identity();
|
|
192
|
-
linear_algebra_1.Mat4.rotate(m, m, (0, misc_1.degToRad)(31.7), linear_algebra_1.Vec3.unitX);
|
|
193
|
-
return (0, cage_1.transformCage)((0, cage_1.cloneCage)(cage), m);
|
|
194
|
-
}
|
|
195
|
-
else if (symbol === 'T') {
|
|
196
|
-
// x/y/z axes cut through edge midpoints
|
|
197
|
-
return (0, tetrahedron_1.TetrahedronCage)();
|
|
198
|
-
}
|
|
199
|
-
});
|
|
200
|
-
function getSymbolScale(symbol) {
|
|
201
|
-
if (symbol.startsWith('D') || symbol.startsWith('C')) {
|
|
202
|
-
return 0.75;
|
|
203
|
-
}
|
|
204
|
-
else if (symbol === 'O') {
|
|
205
|
-
return 1.2;
|
|
206
|
-
}
|
|
207
|
-
else if (symbol === 'I') {
|
|
208
|
-
return 0.25;
|
|
209
|
-
}
|
|
210
|
-
else if (symbol === 'T') {
|
|
211
|
-
return 0.8;
|
|
212
|
-
}
|
|
213
|
-
return 1;
|
|
214
|
-
}
|
|
215
|
-
function setSymbolTransform(t, symbol, axes, size, structure) {
|
|
216
|
-
var eye = (0, linear_algebra_1.Vec3)();
|
|
217
|
-
var target = (0, linear_algebra_1.Vec3)();
|
|
218
|
-
var dir = (0, linear_algebra_1.Vec3)();
|
|
219
|
-
var up = (0, linear_algebra_1.Vec3)();
|
|
220
|
-
var pair = undefined;
|
|
221
|
-
if (symbol.startsWith('C')) {
|
|
222
|
-
pair = [axes[0]];
|
|
223
|
-
}
|
|
224
|
-
else if (symbol.startsWith('D')) {
|
|
225
|
-
var fold_1 = parseInt(symbol.substr(1));
|
|
226
|
-
if (fold_1 === 2) {
|
|
227
|
-
pair = axes.filter(function (a) { return a.order === 2; });
|
|
228
|
-
}
|
|
229
|
-
else if (fold_1 >= 3) {
|
|
230
|
-
var aN = axes.filter(function (a) { return a.order === fold_1; })[0];
|
|
231
|
-
var a2 = axes.filter(function (a) { return a.order === 2; })[1];
|
|
232
|
-
pair = [aN, a2];
|
|
233
|
-
}
|
|
234
|
-
}
|
|
235
|
-
else if (symbol === 'O') {
|
|
236
|
-
pair = axes.filter(function (a) { return a.order === 4; });
|
|
237
|
-
}
|
|
238
|
-
else if (symbol === 'I') {
|
|
239
|
-
var a5 = axes.filter(function (a) { return a.order === 5; })[0];
|
|
240
|
-
var a5dir = linear_algebra_1.Vec3.sub((0, linear_algebra_1.Vec3)(), a5.end, a5.start);
|
|
241
|
-
pair = [a5];
|
|
242
|
-
for (var _i = 0, _a = axes.filter(function (a) { return a.order === 3; }); _i < _a.length; _i++) {
|
|
243
|
-
var a = _a[_i];
|
|
244
|
-
var d = (0, misc_1.radToDeg)(linear_algebra_1.Vec3.angle(linear_algebra_1.Vec3.sub(up, a.end, a.start), a5dir));
|
|
245
|
-
if (!pair[1] && ((0, common_1.equalEps)(d, 100.81, 0.1) || (0, common_1.equalEps)(d, 79.19, 0.1))) {
|
|
246
|
-
pair[1] = a;
|
|
247
|
-
break;
|
|
248
|
-
}
|
|
249
|
-
}
|
|
250
|
-
}
|
|
251
|
-
else if (symbol === 'T') {
|
|
252
|
-
pair = axes.filter(function (a) { return a.order === 2; });
|
|
253
|
-
}
|
|
254
|
-
linear_algebra_1.Mat4.setIdentity(t);
|
|
255
|
-
if (pair) {
|
|
256
|
-
var aA = pair[0], aB = pair[1];
|
|
257
|
-
linear_algebra_1.Vec3.scale(eye, linear_algebra_1.Vec3.add(eye, aA.end, aA.start), 0.5);
|
|
258
|
-
linear_algebra_1.Vec3.copy(target, aA.end);
|
|
259
|
-
if (aB) {
|
|
260
|
-
linear_algebra_1.Vec3.sub(up, aB.end, aB.start);
|
|
261
|
-
linear_algebra_1.Vec3.sub(dir, eye, target);
|
|
262
|
-
if (linear_algebra_1.Vec3.dot(dir, up) < 0)
|
|
263
|
-
linear_algebra_1.Vec3.negate(up, up);
|
|
264
|
-
linear_algebra_1.Mat4.targetTo(t, eye, target, up);
|
|
265
|
-
if (symbol.startsWith('D')) {
|
|
266
|
-
var sphere = structure.lookup3d.boundary.sphere;
|
|
267
|
-
var sizeXY = (sphere.radius * 2) * 0.8; // fallback for missing extrema
|
|
268
|
-
if (geometry_1.Sphere3D.hasExtrema(sphere)) {
|
|
269
|
-
var n_1 = linear_algebra_1.Mat3.directionTransform((0, linear_algebra_1.Mat3)(), t);
|
|
270
|
-
var dirs = unitCircleDirections.map(function (d) { return linear_algebra_1.Vec3.transformMat3((0, linear_algebra_1.Vec3)(), d, n_1); });
|
|
271
|
-
sizeXY = getMaxProjectedDistance(sphere.extrema, dirs, sphere.center) * 1.6;
|
|
272
|
-
}
|
|
273
|
-
linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.create(sizeXY, sizeXY, linear_algebra_1.Vec3.distance(aA.start, aA.end) * 0.9));
|
|
274
|
-
}
|
|
275
|
-
else {
|
|
276
|
-
linear_algebra_1.Mat4.scaleUniformly(t, t, size * getSymbolScale(symbol));
|
|
277
|
-
}
|
|
278
|
-
}
|
|
279
|
-
else {
|
|
280
|
-
if (linear_algebra_1.Vec3.dot(linear_algebra_1.Vec3.unitY, linear_algebra_1.Vec3.sub(tmpV, aA.end, aA.start)) === 0) {
|
|
281
|
-
linear_algebra_1.Vec3.copy(up, linear_algebra_1.Vec3.unitY);
|
|
282
|
-
}
|
|
283
|
-
else {
|
|
284
|
-
linear_algebra_1.Vec3.copy(up, linear_algebra_1.Vec3.unitX);
|
|
285
|
-
}
|
|
286
|
-
linear_algebra_1.Mat4.targetTo(t, eye, target, up);
|
|
287
|
-
var sphere = structure.lookup3d.boundary.sphere;
|
|
288
|
-
var sizeXY = (sphere.radius * 2) * 0.8; // fallback for missing extrema
|
|
289
|
-
if (geometry_1.Sphere3D.hasExtrema(sphere)) {
|
|
290
|
-
var n_2 = linear_algebra_1.Mat3.directionTransform((0, linear_algebra_1.Mat3)(), t);
|
|
291
|
-
var dirs = unitCircleDirections.map(function (d) { return linear_algebra_1.Vec3.transformMat3((0, linear_algebra_1.Vec3)(), d, n_2); });
|
|
292
|
-
sizeXY = getMaxProjectedDistance(sphere.extrema, dirs, sphere.center);
|
|
293
|
-
}
|
|
294
|
-
linear_algebra_1.Mat4.scale(t, t, linear_algebra_1.Vec3.create(sizeXY, sizeXY, size * 0.9));
|
|
295
|
-
}
|
|
296
|
-
}
|
|
297
|
-
}
|
|
298
|
-
var unitCircleDirections = (function () {
|
|
299
|
-
var dirs = [];
|
|
300
|
-
var circle = (0, polygon_1.polygon)(12, false, 1);
|
|
301
|
-
for (var i = 0, il = circle.length; i < il; i += 3) {
|
|
302
|
-
dirs.push(linear_algebra_1.Vec3.fromArray((0, linear_algebra_1.Vec3)(), circle, i));
|
|
303
|
-
}
|
|
304
|
-
return dirs;
|
|
305
|
-
})();
|
|
306
|
-
var tmpProj = (0, linear_algebra_1.Vec3)();
|
|
307
|
-
function getMaxProjectedDistance(points, directions, center) {
|
|
308
|
-
var maxDist = 0;
|
|
309
|
-
for (var _i = 0, points_1 = points; _i < points_1.length; _i++) {
|
|
310
|
-
var p = points_1[_i];
|
|
311
|
-
for (var _a = 0, directions_1 = directions; _a < directions_1.length; _a++) {
|
|
312
|
-
var d = directions_1[_a];
|
|
313
|
-
linear_algebra_1.Vec3.projectPointOnVector(tmpProj, p, d, center);
|
|
314
|
-
var dist = linear_algebra_1.Vec3.distance(tmpProj, center);
|
|
315
|
-
if (dist > maxDist)
|
|
316
|
-
maxDist = dist;
|
|
317
|
-
}
|
|
318
|
-
}
|
|
319
|
-
return maxDist;
|
|
320
|
-
}
|
|
321
|
-
function getCageMesh(data, props, mesh) {
|
|
322
|
-
var assemblySymmetry = prop_1.AssemblySymmetryProvider.get(data).value;
|
|
323
|
-
var scale = props.scale;
|
|
324
|
-
var rotation_axes = assemblySymmetry.rotation_axes, symbol = assemblySymmetry.symbol;
|
|
325
|
-
if (!prop_1.AssemblySymmetry.isRotationAxes(rotation_axes))
|
|
326
|
-
return mesh_1.Mesh.createEmpty(mesh);
|
|
327
|
-
var structure = prop_1.AssemblySymmetry.getStructure(data, assemblySymmetry);
|
|
328
|
-
var cage = getSymbolCage(symbol);
|
|
329
|
-
if (!cage)
|
|
330
|
-
return mesh_1.Mesh.createEmpty(mesh);
|
|
331
|
-
var _a = rotation_axes[0], start = _a.start, end = _a.end;
|
|
332
|
-
var size = linear_algebra_1.Vec3.distance(start, end);
|
|
333
|
-
var radius = (size / 500) * scale;
|
|
334
|
-
var builderState = mesh_builder_1.MeshBuilder.createState(256, 128, mesh);
|
|
335
|
-
builderState.currentGroup = 0;
|
|
336
|
-
setSymbolTransform(t, symbol, rotation_axes, size, structure);
|
|
337
|
-
linear_algebra_1.Vec3.scale(tmpCenter, linear_algebra_1.Vec3.add(tmpCenter, start, end), 0.5);
|
|
338
|
-
linear_algebra_1.Mat4.setTranslation(t, tmpCenter);
|
|
339
|
-
mesh_builder_1.MeshBuilder.addCage(builderState, t, cage, radius, 1, 8);
|
|
340
|
-
return mesh_builder_1.MeshBuilder.getMesh(builderState);
|
|
341
|
-
}
|
|
342
|
-
function getCageShape(ctx, data, props, shape) {
|
|
343
|
-
var assemblySymmetry = prop_1.AssemblySymmetryProvider.get(data).value;
|
|
344
|
-
var geo = getCageMesh(data, props, shape && shape.geometry);
|
|
345
|
-
var getColor = function (groupId) {
|
|
346
|
-
return props.cageColor;
|
|
347
|
-
};
|
|
348
|
-
var getLabel = function (groupId) {
|
|
349
|
-
var type = assemblySymmetry.type, symbol = assemblySymmetry.symbol, kind = assemblySymmetry.kind;
|
|
350
|
-
data.model.entryId;
|
|
351
|
-
return [
|
|
352
|
-
"<small>".concat(data.model.entryId, "</small>"),
|
|
353
|
-
"<small>".concat(getAssemblyName(data), "</small>"),
|
|
354
|
-
"Cage of ".concat(type, " ").concat(kind, " (").concat(symbol, ")")
|
|
355
|
-
].join(' | ');
|
|
356
|
-
};
|
|
357
|
-
return shape_1.Shape.create('Cage', data, geo, getColor, function () { return 1; }, getLabel);
|
|
358
|
-
}
|
|
359
|
-
function AssemblySymmetryRepresentation(ctx, getParams) {
|
|
360
|
-
return representation_2.Representation.createMulti('Assembly Symmetry', ctx, getParams, representation_2.Representation.StateBuilder, AssemblySymmetryVisuals);
|
|
361
|
-
}
|
|
362
|
-
exports.AssemblySymmetryRepresentation = AssemblySymmetryRepresentation;
|
|
363
|
-
//# sourceMappingURL=representation.js.map
|